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6nj4

Thermostable variant of human carbonic anhydrase with disordered tetrazine 2.0 reacted with strained trans-cyclooctene at site 233

Method: X-RAY DIFFRACTION Dmax: 69.8 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Carbonic anhydrase 2

Homo sapiens

UniProt P00918

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain A； UniProt 3–260 Mutation：A64T, L99H, K153N, L223S, L239P, A247T Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；278 K；0.2 M SODIUM CHLORIDE, 0.1 M TRIS PH 8.5, 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 278K Resolution 1.30 Å R-free 0.178

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 6NJ4 Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
12CA ALTERING THE MOUTH OF A HYDROPHOBIC POCKET. STRUCTURE AND KINETICS OF HUMAN CARBONIC ANHYDRASE II MUTANTS AT RESIDUE VAL-121 Deposited 1991-10-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.40 Å
1A42 HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH BRINZOLAMIDE Deposited 1998-02-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded HG MERCURY (II) ION × 1 ZN ZINC ION × 1 BZU (4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；pH 8.0
Resolution 2.25 Å
1AM6 CARBONIC ANHYDRASE II INHIBITOR: ACETOHYDROXAMATE Deposited 1997-06-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded HG MERCURY (II) ION × 1 ZN ZINC ION × 1 HAE ACETOHYDROXAMIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；PROTEIN WAS CRYSTALLIZED FROM 55 - 75% AMMONIUM SULFATE, 50 MM TRIS-HCL, PH = 8.0; INHIBITOR SOAKED INTO XTAL BY GRADUALLY TRANSFERRING INTO 820 MM
Resolution 2.00 Å R-free 0.220
1AVN HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH THE HISTAMINE ACTIVATOR Deposited 1997-09-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 AZI AZIDE ION × 1 HSM HISTAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.7；HCA II CRYSTALLIZED FROM 2.3 M AMMONIUM SULFATE, 50MM TRIS-HCL, 3MM SODIUM AZIDE, PH 7.7
Resolution 2.00 Å
1BCD X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN HUMAN CARBONIC ANHYDRASE II AND A NEW TOPICAL INHIBITOR, TRIFLUOROMETHANE SULPHONAMIDE Deposited 1993-08-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 FMS TRIFLUOROMETHANE SULFONAMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å
1BIC CRYSTALLOGRAPHIC ANALYSIS OF THR-200-> HIS HUMAN CARBONIC ANHYDRASE II AND ITS COMPLEX WITH THE SUBSTRATE, HCO3- Deposited 1992-09-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 BCT BICARBONATE ION × 1 MMC METHYL MERCURY ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å
1BN1 CARBONIC ANHYDRASE II INHIBITOR Deposited 1998-07-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded HG MERCURY (II) ION × 1 ZN ZINC ION × 1 AL5 THIOPHENE-2,5-DISULFONIC ACID 2-AMIDE-5-(4-METHYL-BENZYLAMIDE) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 10；pH 10.0
Resolution 2.10 Å
1BN3 CARBONIC ANHYDRASE II INHIBITOR Deposited 1998-07-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded HG MERCURY (II) ION × 1 ZN ZINC ION × 1 AL6 2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFINAMIDE-1,1-DIOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 10；pH 10.0
Resolution 2.20 Å
1BN4 CARBONIC ANHYDRASE II INHIBITOR Deposited 1998-07-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded HG MERCURY (II) ION × 1 ZN ZINC ION × 1 AL9 N-[(4-METHOXYPHENYL)METHYL]2,5-THIOPHENEDESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 10；pH 10.0
Resolution 2.10 Å
1BNM CARBONIC ANHYDRASE II INHIBITOR Deposited 1998-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded HG MERCURY (II) ION × 1 ZN ZINC ION × 1 AL8 (R)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-4-METHYLAMINO-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 10；pH 10.0
Resolution 2.60 Å
1BNN CARBONIC ANHYDRASE II INHIBITOR Deposited 1998-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded HG MERCURY (II) ION × 1 ZN ZINC ION × 1 AL1 3,,4-DIHYDRO-2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 10；pH 10.0
Resolution 2.30 Å
1BNQ CARBONIC ANHYDRASE II INHIBITOR Deposited 1998-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded HG MERCURY (II) ION × 1 ZN ZINC ION × 1 AL4 (R)-4-ETHYLAMINO-3,4-DIHYDRO-2-(2-METHOYLETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 10；pH 10.0
Resolution 2.40 Å
1BNT CARBONIC ANHYDRASE II INHIBITOR Deposited 1998-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded HG MERCURY (II) ION × 1 ZN ZINC ION × 1 AL2 3,4-DIHYDRO-4-HYDROXY-2-(4-METHOXYPHENYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 10；pH 10.0
Resolution 2.15 Å
1BNU CARBONIC ANHYDRASE II INHIBITOR Deposited 1998-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded HG MERCURY (II) ION × 1 ZN ZINC ION × 1 AL3 3,4-DIHYDRO-4-HYDROXY-2-(2-THIENYMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 10；pH 10.0
Resolution 2.15 Å
1BNV CARBONIC ANHYDRASE II INHIBITOR Deposited 1998-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded HG MERCURY (II) ION × 1 ZN ZINC ION × 1 AL7 (S)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-4-METHYLAMINO-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 10；pH 10.0
Resolution 2.40 Å
1BNW CARBONIC ANHYDRASE II INHIBITOR Deposited 1998-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded HG MERCURY (II) ION × 1 ZN ZINC ION × 1 TPD N-(2-THIENYLMETHYL)-2,5-THIOPHENEDISULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 10；pH 10.0
Resolution 2.25 Å
1BV3 HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH UREA Deposited 1998-09-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 URE UREA × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.7；2.3M AMMONIUM SULFATE, 55MM TRIS-HCL, 1MM SODIUM 4-(HYDROXYMERCURY)BENZOATE, PH 7, pH 7.7
Resolution 1.85 Å R-free 0.213
1CA2 REFINED STRUCTURE OF HUMAN CARBONIC ANHYDRASE II AT 2.0 ANGSTROMS RESOLUTION Deposited 1989-02-06 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å
1CA3 UNEXPECTED PH-DEPENDENT CONFORMATION OF HIS-64, THE PROTON SHUTTLE OF CARBONIC ANHYDRASE II. Deposited 1991-11-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å
1CAH STRUCTURE OF COBALT CARBONIC ANHYDRASE COMPLEXED WITH BICARBONATE Deposited 1992-06-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded CO COBALT (II) ION × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions CRYSTALLIZED IN 50 MM TRIS-HC1 2.4 M AMMONIUM SULFATE PH 8. 5 AND 1 MM HGC12 AT 4 DEG C (TILANDER, B., STRANDBERG, B. & FRIDBORG, K. (1965). CRYSTAL STRUCTURE ON HUMAN ERYTHROCYTIC CARBONIC ANHYDRASE C. J. MOL. BIOL. 12, 740-760). THE MERCURY IS SUBSEQUENTLY REMOVED BY MERCAPTOETHANOL AND THE ZINC ION WITH DIPICOLINATE. AFTER INSERTION OF COBALT (II), THE CRYSTALS ARE SOAKED IN 0.25 M BICARBONATE 3M AMMONIUM SULFATE 50 MM TRIS-HC1 PH 8.1 OVERNIGHT. THE PROCEDURE IS DESCRIBED IN DETAIL IN THE PAPER MENTIONED ABOVE.
Resolution 1.88 Å
1CAI STRUCTURAL ANALYSIS OF THE ZINC HYDROXIDE-THR 199-GLU 106 HYDROGEN BONDING NETWORK IN HUMAN CARBONIC ANHYDRASE II Deposited 1992-09-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.80 Å
1CAJ STRUCTURAL ANALYSIS OF THE ZINC HYDROXIDE-THR 199-GLU 106 HYDROGEN BONDING NETWORK IN HUMAN CARBONIC ANHYDRASE II Deposited 1992-09-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å
1CAK STRUCTURAL ANALYSIS OF THE ZINC HYDROXIDE-THR 199-GLU 106 HYDROGEN BONDING NETWORK IN HUMAN CARBONIC ANHYDRASE II Deposited 1992-09-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å
1CAL STRUCTURAL ANALYSIS OF THE ZINC HYDROXIDE-THR 199-GLU 106 HYDROGEN BONDING NETWORK IN HUMAN CARBONIC ANHYDRASE II Deposited 1992-09-17 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.20 Å
1CAM STRUCTURAL ANALYSIS OF THE ZINC HYDROXIDE-THR 199-GLU 106 HYDROGEN BONDING NETWORK IN HUMAN CARBONIC ANHYDRASE II Deposited 1992-09-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.70 Å
1CAN CRYSTALLOGRAPHIC STUDIES OF THE BINDING OF PROTONATED AND UNPROTONATED INHIBITORS TO CARBONIC ANHYDRASE USING HYDROGEN SULPHIDE AND NITRATE ANIONS Deposited 1992-07-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) HG MERCURY (II) ION × 2 NO3 NITRATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 277 K；THIS IS THE HIGH-ACTIVITY ERYTHROCYTIC FORM OF HUMAN CARBONIC ANHYDRASE, CARBONIC ANHYDRASE II, OR CAII. CRYSTALLIZED IN 50 MM TRIS-HCL 2.4 M AMMONIUM SULFATE PH 8.5 AND 1 MM HGCL2 AT 4 DEG C (TILANDER, B., STRANDBERG, B. AND FRIDBORG, K. (1965). CRYSTAL STRUCTURE ON HUMAN ERYTHROCYTIC CARBONIC ANHYDRASE C. J. MOL. BIOL. 12, 740-760.) THE MERCURY IS SUBSEQUENTLY REMOVED BY MERCAPTOETHANOL. THE CRYSTAL IS SOAKED IN 0.6M KNO3 80 MM CITRATE 3M AMMONIUM SULFATE PH 6.0., temperature 277K
Resolution 1.90 Å
1CAO CRYSTALLOGRAPHIC STUDIES OF THE BINDING OF PROTONATED AND UNPROTONATED INHIBITORS TO CARBONIC ANHYDRASE USING HYDROGEN SULPHIDE AND NITRATE ANIONS Deposited 1992-07-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 H2S HYDROSULFURIC ACID × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å
1CAY WILD-TYPE AND E106Q MUTANT CARBONIC ANHYDRASE COMPLEXED WITH ACETATE Deposited 1993-02-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 ACY ACETIC ACID × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å
1CAZ WILD-TYPE AND E106Q MUTANT CARBONIC ANHYDRASE COMPLEXED WITH ACETATE Deposited 1993-02-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 2 ACY ACETIC ACID × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å
1CCS STRUCTURE-ASSISTED REDESIGN OF A PROTEIN-ZINC BINDING SITE WITH FEMTOMOLAR AFFINITY Deposited 1994-12-09 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.35 Å
1CCT STRUCTURE-ASSISTED REDESIGN OF A PROTEIN-ZINC BINDING SITE WITH FEMTOMOLAR AFFINITY Deposited 1994-12-09 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.20 Å
1CCU STRUCTURE-ASSISTED REDESIGN OF A PROTEIN-ZINC BINDING SITE WITH FEMTOMOLAR AFFINITY Deposited 1994-12-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.25 Å
1CIL THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS Deposited 1993-10-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 ETS (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.60 Å
1CIM THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS Deposited 1993-10-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 MMC METHYL MERCURY ION × 1 PTS (4S-TRANS)-4-(AMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO (2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å
1CIN THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS Deposited 1993-10-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 MMC METHYL MERCURY ION × 1 MTS (4S-TRANS)-4-(METHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å
1CNB COMPENSATORY PLASTIC EFFECTS IN THE REDESIGN OF PROTEIN-ZINC BINDING SITES Deposited 1994-06-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded BME BETA-MERCAPTOETHANOL × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.35 Å
1CNC COMPENSATORY PLASTIC EFFECTS IN THE REDESIGN OF PROTEIN-ZINC BINDING SITES Deposited 1994-06-13 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.20 Å
1CNG X-RAY CRYSTALLOGRAPHIC STUDIES OF ENGINEERED HYDROGEN BOND NETWORKS IN A PROTEIN-ZINC BINDING SITE Deposited 1995-04-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å
1CNH X-RAY CRYSTALLOGRAPHIC STUDIES OF ENGINEERED HYDROGEN BOND NETWORKS IN A PROTEIN-ZINC BINDING SITE Deposited 1995-04-03 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.05 Å
1CNI X-RAY CRYSTALLOGRAPHIC STUDIES OF ENGINEERED HYDROGEN BOND NETWORKS IN A PROTEIN-ZINC BINDING SITE Deposited 1995-04-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.80 Å
1CNJ X-RAY CRYSTALLOGRAPHIC STUDIES OF ENGINEERED HYDROGEN BOND NETWORKS IN A PROTEIN-ZINC BINDING SITE Deposited 1995-04-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.80 Å
1CNK X-RAY CRYSTALLOGRAPHIC STUDIES OF ENGINEERED HYDROGEN BOND NETWORKS IN A PROTEIN-ZINC BINDING SITE Deposited 1995-04-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.15 Å
1CNW SECONDARY INTERACTIONS SIGNIFICANTLY REMOVED FROM THE SULFONAMIDE BINDING POCKET OF CARBONIC ANHYDRASE II INFLUENCE BINDING CONSTANTS Deposited 1995-07-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 EG1 AMINOMETHYLENECARBONYLAMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å
1CNX SECONDARY INTERACTIONS SIGNIFICANTLY REMOVED FROM THE SULFONAMIDE BINDING POCKET OF CARBONIC ANHYDRASE II INFLUENCE BINDING CONSTANTS Deposited 1995-07-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 EG2 AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å
1CNY SECONDARY INTERACTIONS SIGNIFICANTLY REMOVED FROM THE SULFONAMIDE BINDING POCKET OF CARBONIC ANHYDRASE II INFLUENCE BINDING CONSTANTS Deposited 1995-07-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 EG3 PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å
1CRA THE COMPLEX BETWEEN HUMAN CARBONIC ANHYDRASE II AND THE AROMATIC INHIBITOR 1,2,4-TRIAZOLE Deposited 1992-10-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 HG MERCURY (II) ION × 1 TRI 1,2,4-TRIAZOLE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å
1CVA STRUCTURAL AND FUNCTIONAL IMPORTANCE OF A CONSERVED HYDROGEN BOND NETWORK IN HUMAN CARBONIC ANHYDRASE II Deposited 1993-02-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 AZI AZIDE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.25 Å
1CVB STRUCTURAL AND FUNCTIONAL IMPORTANCE OF A CONSERVED HYDROGEN BOND NETWORK IN HUMAN CARBONIC ANHYDRASE II Deposited 1993-02-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.40 Å
1CVC REDESIGNING THE ZINC BINDING SITE OF HUMAN CARBONIC ANHYDRASE II: STRUCTURE OF A HIS2ASP-ZN2+ METAL COORDINATION POLYHEDRON Deposited 1993-09-22 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å
1CVD STRUCTURAL CONSEQUENCES OF REDESIGNING A PROTEIN-ZINC BINDING SITE Deposited 1994-06-21 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–258（255 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.20 Å
1CVE STRUCTURAL CONSEQUENCES OF REDESIGNING A PROTEIN-ZINC BINDING SITE Deposited 1994-06-21 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.25 Å
1CVF STRUCTURAL CONSEQUENCES OF REDESIGNING A PROTEIN-ZINC BINDING SITE Deposited 1994-06-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.25 Å
1CVH STRUCTURAL CONSEQUENCES OF REDESIGNING A PROTEIN-ZINC BINDING SITE Deposited 1994-11-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–258（255 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å
1DCA STRUCTURE OF AN ENGINEERED METAL BINDING SITE IN HUMAN CARBONIC ANHYDRASE II REVEALS THE ARCHITECTURE OF A REGULATORY CYSTEINE SWITCH Deposited 1992-12-18 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.20 Å
1DCB STRUCTURE OF AN ENGINEERED METAL BINDING SITE IN HUMAN CARBONIC ANHYDRASE II REVEALS THE ARCHITECTURE OF A REGULATORY CYSTEINE SWITCH Deposited 1993-03-10 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å
1EOU CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH AN ANTICONVULSANT SUGAR SULFAMATE Deposited 2000-03-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 SMS SULFAMIC ACID 2,3-O-(1-METHYLETHYLIDENE)-4,5-O-SULFONYL-BETA-FRUCTOPYRANOSE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.8；295 K；TRIS.HCl, smmonium sulfate, dithiothreitol, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.10 Å R-free 0.229
1F2W THE MECHANISM OF CYANAMIDE HYDRATION CATALYZED BY CARBONIC ANHYDRASE II REVEALED BY CRYOGENIC X-RAY DIFFRACTION Deposited 2000-05-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 CNN CYANAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；277 K；ammonium sulphate, 4-(hydroxymercury)benzoate, TRIS HCL , pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.218
1FQL X-RAY CRYSTAL STRUCTURE OF ZINC-BOUND F95M/W97V CARBONIC ANHYDRASE (CAII) VARIANT Deposited 2000-09-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：F95M/W97V ZN ZINC ION × 1 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；ammonium sulfate, tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.255
1FQM X-RAY CRYSTAL STRUCTURE OF ZINC-BOUND F93I/F95M/W97V CARBONIC ANHYDRASE (CAII) VARIANT Deposited 2000-09-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：F93I/F95M/W97V ZN ZINC ION × 1 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；ammonium sulfate, tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.268
1FQN X-RAY CRYSTAL STRUCTURE OF METAL-FREE F93I/F95M/W97V CARBONIC ANHYDRASE (CAII) VARIANT Deposited 2000-09-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：F93I/F95M/W97V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；ammonium sulfate, tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.279
1FQR X-RAY CRYSTAL STRUCTURE OF COBALT-BOUND F93I/F95M/W97V CARBONIC ANHYDRASE (CAII) VARIANT Deposited 2000-09-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：F93I/F95M/W97V CO COBALT (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；ammonium sulfate, tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.275
1FR4 X-RAY CRYSTAL STRUCTURE OF COPPER-BOUND F93I/F95M/W97V CARBONIC ANHYDRASE (CAII) VARIANT Deposited 2000-09-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：F93I/F95M/W97V CU COPPER (II) ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；ammonium sulfate, tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.60 Å R-free 0.259
1FR7 X-RAY CRYSTAL STRUCTURE OF ZINC-BOUND F93S/F95L/W97M CARBONIC ANHYDRASE (CAII) VARIANT Deposited 2000-09-07 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：F93S/F95L/W97M ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；PEG 1500, HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.50 Å R-free 0.260
1FR7 X-RAY CRYSTAL STRUCTURE OF ZINC-BOUND F93S/F95L/W97M CARBONIC ANHYDRASE (CAII) VARIANT Deposited 2000-09-07 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–260（260 aa）
Mutation：F93S/F95L/W97M ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；PEG 1500, HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.50 Å R-free 0.260
1FSN X-RAY CRYSTAL STRUCTURE OF METAL-FREE F93S/F95L/W97M CARBONIC ANHYDRASE (CAII) VARIANT Deposited 2000-09-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：F93S/F95L/W97M No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；HEPES, PEG 1500, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.291
1FSN X-RAY CRYSTAL STRUCTURE OF METAL-FREE F93S/F95L/W97M CARBONIC ANHYDRASE (CAII) VARIANT Deposited 2000-09-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–260（260 aa）
Mutation：F93S/F95L/W97M No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；HEPES, PEG 1500, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.291
1FSQ X-RAY CRYSTAL STRUCTURE OF COBALT-BOUND F93S/F95L/W97M CARBONIC ANHYDRASE (CAII) VARIANT Deposited 2000-09-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：F93S/F95L/W97M CO COBALT (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；HEPES, PEG 1500, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.250
1FSQ X-RAY CRYSTAL STRUCTURE OF COBALT-BOUND F93S/F95L/W97M CARBONIC ANHYDRASE (CAII) VARIANT Deposited 2000-09-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–260（260 aa）
Mutation：F93S/F95L/W97M CO COBALT (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；HEPES, PEG 1500, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.250
1FSR X-RAY CRYSTAL STRUCTURE OF COPPER-BOUND F93S/F95L/W97M CARBONIC ANHYDRASE (CAII) VARIANT Deposited 2000-09-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：F93S/F95L/W97M CU COPPER (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；HEPES, PEG 1500, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.297
1FSR X-RAY CRYSTAL STRUCTURE OF COPPER-BOUND F93S/F95L/W97M CARBONIC ANHYDRASE (CAII) VARIANT Deposited 2000-09-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–260（260 aa）
Mutation：F93S/F95L/W97M CU COPPER (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；HEPES, PEG 1500, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.297
1G0E SITE-SPECIFIC MUTANT (HIS64 REPLACED WITH ALA) OF HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH 4-METHYLIMIDAZOLE Deposited 2000-10-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：H64A ZN ZINC ION × 1 HG MERCURY (II) ION × 1 4MZ 4-METHYLIMIDAZOLE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；Ammonium Sulfate, Mercury Chloride, Tris HCl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.60 Å R-free 0.200
1G0F SITE-SPECIFIC MUTANT (HIS64 REPLACED WITH ALA) OF HUMAN CARBONIC ANHYDRASE II Deposited 2000-10-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：H64A ZN ZINC ION × 1 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；Ammonium Sulfate, Mercury Chloride, Tris HCl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.60 Å R-free 0.198
1G1D CARBONIC ANHYDRASE II COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2-FLUOROPHENYL)METHYL]-BENZAMIDE Deposited 2000-10-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 FSB N-(2-FLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.04 Å R-free 0.277
1G3Z CARBONIC ANHYDRASE II (F131V) Deposited 2000-10-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：F131V ZN ZINC ION × 1 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.86 Å R-free 0.234
1G45 CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2-FLUOROPHENYL)METHYL]-BENZAMIDE Deposited 2000-10-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：F131V ZN ZINC ION × 1 HG MERCURY (II) ION × 1 FSB N-(2-FLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.83 Å R-free 0.239
1G46 CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3-DIFLUOROPHENYL)METHYL]-BENZAMIDE Deposited 2000-10-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：F131V ZN ZINC ION × 1 HG MERCURY (II) ION × 1 F2B N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.84 Å R-free 0.236
1G48 CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,6-DIFLUOROPHENYL)METHYL]-BENZAMIDE Deposited 2000-10-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：F131V ZN ZINC ION × 1 HG MERCURY (II) ION × 1 F6B N-(2,6-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.86 Å R-free 0.239
1G4J CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]-BENZAMIDE Deposited 2000-10-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：F131V ZN ZINC ION × 1 HG MERCURY (II) ION × 1 FFB N-(2,3,4,5,6-PENTAFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.84 Å R-free 0.233
1G4O CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-PHENYLMETHYLBENZAMIDE Deposited 2000-10-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：F131V ZN ZINC ION × 1 HG MERCURY (II) ION × 1 BSB N-BENZYL-4-SULFAMOYL-BENZAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.96 Å R-free 0.284
1G52 CARBONIC ANHYDRASE II COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3-DIFLUOROPHENYL)METHYL]-BENZAMIDE Deposited 2000-10-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 F2B N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.215
1G53 CARBONIC ANHYDRASE II COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,6-DIFLUOROPHENYL)METHYL]-BENZAMIDE Deposited 2000-10-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 F6B N-(2,6-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.94 Å R-free 0.262
1G54 CARBONIC ANHYDRASE II COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]-BENZAMIDE Deposited 2000-10-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 FFB N-(2,3,4,5,6-PENTAFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.86 Å R-free 0.239
1H4N H94N CARBONIC ANHYDRASE II COMPLEXED WITH TRIS Deposited 1997-05-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：H94N ZN ZINC ION × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；2M (NH4)2SO4; 100 MM TRIS PH 8.0; 5 MM N-HEXYL BETA-D-GLUCOPYRANOSIDE
Resolution 2.00 Å R-free 0.207
1H9N H119N CARBONIC ANHYDRASE II Deposited 1997-05-29 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：H119N ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；2M (NH4)2SO4; 100 MM TRIS PH 8.0; 5 MM N-HEXYL BETA-D-GLUCOPYRANOSIDE
Resolution 1.85 Å R-free 0.236
1H9Q H119Q CARBONIC ANHYDRASE II Deposited 1997-05-29 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：H119Q ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；2M (NH4)2SO4; 100 MM TRIS PH 8.0; 5 MM N-HEXYL BETA-D-GLUCOPYRANOSIDE
Resolution 2.20 Å R-free 0.249
1HCA UNEXPECTED PH-DEPENDENT CONFORMATION OF HIS-64, THE PROTON SHUTTLE OF CARBONIC ANHYDRASE II. Deposited 1992-04-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å
1HEA CARBONIC ANHYDRASE II (CARBONATE DEHYDRATASE) (HCA II) (E.C.4.2.1.1) MUTANT WITH LEU 198 REPLACED BY ARG (L198R) Deposited 1992-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å
1HEB STRUCTURAL CONSEQUENCES OF HYDROPHILIC AMINO-ACID SUBSTITUTIONS IN THE HYDROPHOBIC POCKET OF HUMAN CARBONIC ANHYDRASE II Deposited 1992-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å
1HEC STRUCTURAL CONSEQUENCES OF HYDROPHILIC AMINO-ACID SUBSTITUTIONS IN THE HYDROPHOBIC POCKET OF HUMAN CARBONIC ANHYDRASE II Deposited 1992-07-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å
1HED STRUCTURAL CONSEQUENCES OF HYDROPHILIC AMINO-ACID SUBSTITUTIONS IN THE HYDROPHOBIC POCKET OF HUMAN CARBONIC ANHYDRASE II Deposited 1992-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å
1HVA ENGINEERING THE ZINC BINDING SITE OF HUMAN CARBONIC ANHYDRASE II: STRUCTURE OF THE HIS-94-> CYS APOENZYME IN A NEW CRYSTALLINE FORM Deposited 1992-10-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å
1I8Z CARBONIC ANHYDRASE II COMPLEXED WITH AL-6629 2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE, 2-(3-METHOXYPHENYL)-3-(4-MORPHOLINYL)-, 1,1-DIOXIDE Deposited 2001-03-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 INL 6-[N-(3-METHOXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.93 Å R-free 0.293
1I90 CARBONIC ANHYDRASE II COMPLEXED WITH AL-8520 2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE, 4-AMINO-3,4-DIHYDRO-2-(3-METHOXYPROPYL)-, 1,1-DIOXIDE, (R) Deposited 2001-03-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 INM 4-AMINO-6-[N-(3-METHOXYLPROPYL)-2H-THIENO[3,2-E][1,2]THIAZINE 1,1-DIOXIDE]-SULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.234
1I91 CARBONIC ANHYDRASE II COMPLEXED WITH AL-6619 2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE, 2-(3-HYDROXYPHENYL)-3-(4-MORPHOLINYL)-, 1,1-DIOXIDE Deposited 2001-03-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 INQ 6-[N-(3-HYDROXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.205
1I9L CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZAMIDE Deposited 2001-03-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：F131V ZN ZINC ION × 1 HG MERCURY (II) ION × 1 INV 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.93 Å R-free 0.280
1I9M CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-BENZAMIDE Deposited 2001-03-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：F131V ZN ZINC ION × 1 HG MERCURY (II) ION × 1 INW 4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-BENZAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.84 Å R-free 0.256
1I9N CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-BENZAMIDE Deposited 2001-03-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：F131V ZN ZINC ION × 1 HG MERCURY (II) ION × 1 IOA 4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-BENZAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.86 Å R-free 0.280
1I9O CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-BENZAMIDE Deposited 2001-03-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：F131V ZN ZINC ION × 1 HG MERCURY (II) ION × 1 IOC 4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-BENZAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.86 Å R-free 0.278
1I9P CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-BENZAMIDE Deposited 2001-03-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：F131V ZN ZINC ION × 1 HG MERCURY (II) ION × 1 IOE 4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-BENZAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.92 Å R-free 0.290
1I9Q CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-BENZAMIDE Deposited 2001-03-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：F131V ZN ZINC ION × 1 HG MERCURY (II) ION × 1 IOF 4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-BENZAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.240
1IF4 Carbonic Anhydrase II Complexed With 4-fluorobenzenesulfonamide Deposited 2001-04-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 FBS 4-FLUOROBENZENESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.93 Å R-free 0.296
1IF5 Carbonic Anhydrase II Complexed With 2,6-difluorobenzenesulfonamide Deposited 2001-04-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 FBT 2,6-DIFLUOROBENZENESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.287
1IF6 Carbonic Anhydrase II Complexed With 3,5-difluorobenzenesulfonamide Deposited 2001-04-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 FBU 3,5-DIFLUOROBENZENESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.09 Å R-free 0.299
1IF7 Carbonic Anhydrase II Complexed With (R)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide Deposited 2001-04-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 SBR (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.98 Å R-free 0.294
1IF8 Carbonic Anhydrase II Complexed With (S)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide Deposited 2001-04-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 SBS (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.94 Å R-free 0.293
1IF9 Carbonic Anhydrase II Complexed With N-[2-(1H-Indol-5-yl)-butyl]-4-sulfamoyl-benzamide Deposited 2001-04-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 SBB N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-BENZAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.216
1KWQ HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH INHIBITOR 2000-07 Deposited 2002-01-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–259（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 SG1 3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；279 K；tris, nacl, Ammonium sulfate, MeHgAc, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 279K
Resolution 2.60 Å R-free 0.283
1KWR HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH INHIBITOR 0134-36 Deposited 2002-01-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–259（260 aa）
Not recorded ZN ZINC ION × 1 SG2 1-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE-5-SULFONIC ACID AMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；279 K；tris, nacl, ammonium sulfate, MeHgAc, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K
Resolution 2.25 Å R-free 0.269
1LG5 Crystal Structure Analysis of the HCA II Mutant T199P in complex with beta-mercaptoethanol Deposited 2002-04-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–259（260 aa）
Mutation：T199P ZN ZINC ION × 1 BME BETA-MERCAPTOETHANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；PEG 2000 or 3350, Tris-HCl, BME, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.75 Å R-free 0.227
1LG6 Crystal Structure Analysis of HCA II Mutant T199P in Complex with Thiocyanate Deposited 2002-04-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–259（260 aa）
Mutation：T199P ZN ZINC ION × 1 SCN THIOCYANATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；PEG 2000 or 3350, Tris-HCl, BME. Crystals soaked in BME free solution with SCN., pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.252
1LGD Crystal Structure Analysis of HCA II Mutant T199P in Complex with Bicarbonate Deposited 2002-04-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–259（260 aa）
Mutation：T199P ZN ZINC ION × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；PEG 2000 or 3350, Tris-HCl, BME. Crystals are soaked in BME-free solution in the presence of bicarbonate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.90 Å R-free 0.214
1LUG Full Matrix Error Analysis of Carbonic Anhydrase Deposited 2002-05-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 MBO MERCURIBENZOIC ACID × 1 SUA (4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；ammonium sulfate, Tris-Cl, p-hydroxymercuribenzoate, DMSO, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 0.95 Å R-free 0.141
1LZV Site-Specific Mutant (Tyr7 replaced with His) of Human Carbonic Anhydrase II Deposited 2002-06-11 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–259（260 aa）
Mutation：Y7H ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；Ammonium Sulfate, Tris HCL, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.30 Å R-free 0.251
1MOO Site Specific Mutant (H64A) of Human Carbonic Anhydrase II at high resolution Deposited 2002-09-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–259（260 aa）
Mutation：H64A ZN ZINC ION × 1 HG MERCURY (II) ION × 1 4MZ 4-METHYLIMIDAZOLE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；Ammonium Sulfate, Tris, Mercury Chloride, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.05 Å R-free 0.177
1MUA STRUCTURE AND ENERGETICS OF A NON-PROLINE CIS-PEPTIDYL LINKAGE IN AN ENGINEERED PROTEIN Deposited 1993-06-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–258（256 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.70 Å
1OKL CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKL INHIBITOR 5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONAMIDE Deposited 1996-06-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded HG MERCURY (II) ION × 1 ZN ZINC ION × 1 MNS 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å R-free 0.233
1OKM CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKM INHIBITOR 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE Deposited 1996-06-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded HG MERCURY (II) ION × 1 ZN ZINC ION × 1 SAB 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.20 Å R-free 0.217
1OKN CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKN INHIBITOR 4-SULFONAMIDE-[1-(4-N-(5-FLUORESCEIN THIOUREA)BUTANE)] Deposited 1996-06-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded HG MERCURY (II) ION × 1 ZN ZINC ION × 1 STB 4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.40 Å R-free 0.268
1OQ5 CARBONIC ANHYDRASE II IN COMPLEX WITH NANOMOLAR INHIBITOR Deposited 2003-03-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 CEL 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；277 K；Tris-HCl, NaCl, ammonium sulfate, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.50 Å R-free 0.189
1RAY THE STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH BROMIDE AND AZIDE Deposited 1993-04-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 AZI AZIDE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.80 Å
1RAZ THE STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH BROMIDE AND AZIDE Deposited 1993-04-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 BR BROMIDE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å
1RZA X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES Deposited 1993-05-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded CO COBALT (II) ION × 1 OXY OXYGEN MOLECULE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å
1RZB X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES Deposited 1993-05-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded CO COBALT (II) ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.80 Å
1RZC X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES Deposited 1993-05-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded CU COPPER (II) ION × 2 OXY OXYGEN MOLECULE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å
1RZD X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES Deposited 1993-05-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded MN MANGANESE (II) ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å
1RZE X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES Deposited 1993-05-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded NI NICKEL (II) ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å
1T9N Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II Deposited 2004-05-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.1；277 K；50 mM MES, 2.5 M ammonium sulfate, PH 5.1, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.209
1TB0 Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II Deposited 2004-05-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 1–259（259 aa）
Not recorded ZN ZINC ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.1；277 K；50 mM MES, 2.5 M ammonium sulfate, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.205
1TBT Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II Deposited 2004-05-20 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 1–259（259 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；50 mM Tris-Cl pH7.0, 2.5 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.184
1TE3 Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II Deposited 2004-05-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 1–259（259 aa）
Not recorded ZN ZINC ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；50 mM Tris-Cl, 2.5 M ammonium sulfate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.201
1TEQ Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II Deposited 2004-05-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 1–259（259 aa）
Not recorded ZN ZINC ION × 1 OH HYDROXIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.3；277 K；50 mM Tris-Cl pH 9.3, 2.5 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.173
1TEU Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II Deposited 2004-05-25 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 1–259（259 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 10；277 K；50 mM CAPS pH10.0, 2.5 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.175
1TG3 Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II Deposited 2004-05-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：N62H ZN ZINC ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.80 Å R-free 0.206
1TG9 Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II Deposited 2004-05-28 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：N62H ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；50 mM Tris-Cl pH7.8 , 2.5 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.217
1TH9 Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II Deposited 2004-06-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：N67H ZN ZINC ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；50 mM Tris-Cl pH6.0, 2.5 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.63 Å R-free 0.211
1THK Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II Deposited 2004-06-01 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：N67H ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；50 mM Tris-Cl pH 7.8, 2.5 ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.209
1TTM Human carbonic anhydrase II complexed with 667-coumate Deposited 2004-06-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 2 667 6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-3-O-SULFAMATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；100 mM Tris-HCl, 1 mM ZnSO4, 2.45 M ammonium sulfate; 30 mM 2-mercaptoethanol, 0.5 mM 667-coumate , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.95 Å R-free 0.210
1UGA HUMAN CARBONIC ANHYDRASE II[HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY PHE (A65F) Deposited 1996-07-24 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–259（258 aa）
Mutation：A65F ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；pH 8.0
Resolution 2.00 Å R-free 0.246
1UGB HUMAN CARBONIC ANHYDRASE II[HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY GLY (A65G) Deposited 1996-07-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–259（258 aa）
Mutation：A65G ZN ZINC ION × 1 AZI AZIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；pH 8.0
Resolution 2.00 Å R-free 0.235
1UGC HUMAN CARBONIC ANHYDRASE II [HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY HIS (A65H) Deposited 1996-07-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–259（258 aa）
Mutation：A65H HG MERCURY (II) ION × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；50MM TRIS-HCL, PH=8.0, 1.95 - 3.9M NH4SO4
Resolution 2.00 Å R-free 0.225
1UGD HUMAN CARBONIC ANHYDRASE II[HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY SER (A65S) Deposited 1996-07-24 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–259（258 aa）
Mutation：A65S ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；50MM TRIS-HCL, PH=8.0, 1.95 - 3.9M NH4SO4
Resolution 2.00 Å R-free 0.255
1UGE HUMAN CARBONIC ANHYDRASE II [HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY LEU (A65L) Deposited 1996-07-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–259（258 aa）
Mutation：A65L HG MERCURY (II) ION × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；50MM TRIS-HCL, PH=8.0, 1.95 - 3.9M NH4SO4
Resolution 1.90 Å R-free 0.229
1UGF HUMAN CARBONIC ANHYDRASE II [HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY THR (A65T) Deposited 1996-07-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–259（258 aa）
Mutation：A65T HG MERCURY (II) ION × 1 ZN ZINC ION × 1 AZI AZIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；50MM TRIS-HCL, PH=8.0, 1.95 - 3.9M NH4SO4
Resolution 2.00 Å R-free 0.232
1UGG HUMAN CARBONIC ANHYDRASE II[HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY SER (A65S)-ORTHORHOMBIC FORM Deposited 1996-07-24 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–259（258 aa）
Mutation：A65S ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.7；50MM TRIS-HCL, PH=8.0, 1.95 - 3.9M NH4SO4, pH 4.7
Resolution 2.20 Å R-free 0.282
1XEG Crystal structure of human carbonic anhydrase II complexed with an acetate ion Deposited 2004-09-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–259（260 aa）
Not recorded ACT ACETATE ION × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；peg, sodium acetate, tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 1.81 Å R-free 0.210
1XEV Crystal structure of human carbonic anhydrase II in a new crystal form Deposited 2004-09-13 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–259（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；peg, sodium acetate, tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.20 Å R-free 0.260
1XEV Crystal structure of human carbonic anhydrase II in a new crystal form Deposited 2004-09-13 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 0–259（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；peg, sodium acetate, tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.20 Å R-free 0.260
1XEV Crystal structure of human carbonic anhydrase II in a new crystal form Deposited 2004-09-13 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 0–259（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；peg, sodium acetate, tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.20 Å R-free 0.260
1XEV Crystal structure of human carbonic anhydrase II in a new crystal form Deposited 2004-09-13 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 0–259（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；peg, sodium acetate, tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.20 Å R-free 0.260
1XPZ Structure of human carbonic anhydrase II with 4-[4-O-sulfamoylbenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]-triazole Deposited 2004-10-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–259（258 aa）
Not recorded ZN ZINC ION × 2 4TZ 4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris-HCl, 1mM zinc(II) sulfate, 2.275M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 8.0
Resolution 2.02 Å R-free 0.223
1XQ0 Structure of human carbonic anhydrase II with 4-[(3-bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]-triazole Deposited 2004-10-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 2 4TR 2-BROMO-4-{[(4-CYANOPHENYL)(4H-1,2,4-TRIAZOL-4-YL)AMINO]METHYL}PHENYL SULFAMATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris-HCl, 1mM zinc(II) sulfate, 2.485M ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.76 Å R-free 0.209
1YDA STRUCTURAL BASIS OF INHIBITOR AFFINITY TO VARIANTS OF HUMAN CARBONIC ANHYDRASE II Deposited 1994-12-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 AZM 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å
1YDB STRUCTURAL BASIS OF INHIBITOR AFFINITY TO VARIANTS OF HUMAN CARBONIC ANHYDRASE II Deposited 1994-12-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 AZM 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å
1YDC STRUCTURAL BASIS OF INHIBITOR AFFINITY TO VARIANTS OF HUMAN CARBONIC ANHYDRASE II Deposited 1994-12-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.95 Å
1YDD STRUCTURAL BASIS OF INHIBITOR AFFINITY TO VARIANTS OF HUMAN CARBONIC ANHYDRASE II Deposited 1994-12-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 AZM 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å
1YO0 Proton Transfer from His200 in Human Carbonic Anhydrase II Deposited 2005-01-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–259（260 aa）
Mutation：H63A, T199H ZN ZINC ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；50 mM MES, 2.5 M AmmSO4, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.218
1YO1 Proton Transfer from His200 in Human Carbonic Anhydrase II Deposited 2005-01-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–259（260 aa）
Mutation：H63A, T199H SO4 SULFATE ION × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；50 mM Tris-Cl, 2.5 M AmmSO4, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.70 Å R-free 0.207
1YO2 Proton Transfer from His200 in Human Carbonic Anhydrase II Deposited 2005-01-26 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–259（260 aa）
Mutation：H63A, T199H ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.3；277 K；50 mM Tris-Cl, 2.5 M AmmSO4, pH 9.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.201
1Z9Y carbonic anhydrase II in complex with furosemide as sulfonamide inhibitor Deposited 2005-04-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa） Fragment：carbonic anhydrase II
Not recorded ZN ZINC ION × 2 FUN 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 X-RAY DIFFRACTION
X-ray crystallization conditions soaking；pH 8；277 K；ammonium sulfate, sodium chloride, p-chloromercuribenzoic acid, tris hcl, pH 8.0, soaking, temperature 277K
Resolution 1.66 Å R-free 0.245
1ZE8 Carbonic anhydrase II in complex with a membrane-impermeant sulfonamide inhibitor Deposited 2005-04-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 PIU 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；ammonium sulphate, tris-HCl, 4-hydroxymercurybenzoate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.251
1ZFK carbonic anhydrase II in complex with N-4-sulfonamidphenyl-N'-4-methylbenzosulfonylurease as sulfonamide inhibitor Deposited 2005-04-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 1 NR2 N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-4-METHYLBENZENESULFONAMIDE × 2 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions cocrystallization；pH 8；277 K；ammonium sulfate, sodium chloride, p-chloromercuribenzoic acid, tris HCl , pH 8.0, cocrystallization, temperature 277K
Resolution 1.56 Å R-free 0.224
1ZFQ carbonic anhydrase II in complex with ethoxzolamidphenole as sulfonamide inhibitor Deposited 2005-04-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 ZEC 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE × 2 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions cocristallization；pH 8；277 K；ammonium sulfate, sodium chloride, p-chloromercuribenzoic acid, tris hcl , pH 8.0, cocristallization, temperature 277K
Resolution 1.55 Å R-free 0.188
1ZGE carbonic anhydrase II in complex with p-Sulfonamido-o,o'-dichloroaniline as sulfonamide inhibitor Deposited 2005-04-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 SDA 4-AMINO-3,5-DICHLOROBENZENESULFONAMIDE × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions soaking；pH 8；277 K；ammonium sulfate, sodium chloride, p-chloromercuribenzoic acid, tris hcl, pH 8.0, soaking, temperature 277K
Resolution 1.65 Å R-free 0.216
1ZGF carbonic anhydrase II in complex with trichloromethiazide as sulfonamide inhibitor Deposited 2005-04-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 2 TRU 6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 X-RAY DIFFRACTION
X-ray crystallization conditions soaking；pH 8；277 K；ammonium sulfate, sodium chloride, p-chloromercuribenzoic acid, tris hcl, pH 8.0, soaking, temperature 277K
Resolution 1.75 Å R-free 0.228
1ZH9 carbonic anhydrase II in complex with N-4-Methyl-1-piperazinyl-N'-(p-sulfonamide)phenylthiourea as sulfonamide inhibitor Deposited 2005-04-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 MPX 4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 X-RAY DIFFRACTION
X-ray crystallization conditions soaking；pH 8；277 K；ammonium sulfate, sodium chloride, p-chloromercuribenzoic acid, tris hcl, pH 8.0, soaking, temperature 277K
Resolution 1.70 Å R-free 0.212
1ZSA CARBONIC ANHYDRASE II MUTANT E117Q, APO FORM Deposited 1996-01-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：E117Q No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
1ZSB CARBONIC ANHYDRASE II MUTANT E117Q, TRANSITION STATE ANALOGUE ACETAZOLAMIDE Deposited 1996-01-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：E117Q ZN ZINC ION × 1 AZM 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å
1ZSC CARBONIC ANHYDRASE II MUTANT E117Q, HOLO FORM Deposited 1996-01-09 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：E117Q ZN ZINC ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.80 Å
2ABE Carbonic anhydrase activators: X-ray crystal structure of the adduct of human isozyme II with L-histidine as a platform for the design of stronger activators Deposited 2005-07-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 2 HIS HISTIDINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；278 K；tris.HCl, ammonium sulphate, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.00 Å R-free 0.218
2AW1 Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II "selective" inhibitor Celecoxib Deposited 2005-08-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 COX 4-(5-METHYL-3-PHENYLISOXAZOL-4-YL)BENZENESULFONAMIDE × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.4；277 K；AMMONIUM SULPHATE, SODIUM CHLORIDE, TRIS-HCl, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.46 Å R-free 0.200
2AX2 Production and X-ray crystallographic analysis of fully deuterated human carbonic anhydrase II Deposited 2005-09-02 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–259（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.15 M sodium citrate, 100 mM Tris-Dl, pH7.8, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.50 Å R-free 0.206
2CA2 CRYSTALLOGRAPHIC STUDIES OF INHIBITOR BINDING SITES IN HUMAN CARBONIC ANHYDRASE II. A PENTACOORDINATED BINDING OF THE SCN-ION TO THE ZINC AT HIGH P*H Deposited 1989-02-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded HG MERCURY (II) ION × 1 SCN THIOCYANATE ION × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å
2CBA STRUCTURE OF NATIVE AND APO CARBONIC ANHYDRASE II AND SOME OF ITS ANION-LIGAND COMPLEXES Deposited 1992-06-01 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.54 Å
2CBB STRUCTURE OF NATIVE AND APO CARBONIC ANHYDRASE II AND SOME OF ITS ANION-LIGAND COMPLEXES Deposited 1992-06-01 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.67 Å
2CBC STRUCTURE OF NATIVE AND APO CARBONIC ANHYDRASE II AND SOME OF ITS ANION-LIGAND COMPLEXES Deposited 1992-06-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 HG MERCURY (II) ION × 1 FMT FORMIC ACID × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.88 Å
2CBD STRUCTURE OF NATIVE AND APO CARBONIC ANHYDRASE II AND SOME OF ITS ANION-LIGAND COMPLEXES Deposited 1992-06-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 SO3 SULFITE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.67 Å
2CBE STRUCTURE OF NATIVE AND APO CARBONIC ANHYDRASE II AND SOME OF ITS ANION-LIGAND COMPLEXES Deposited 1992-06-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.82 Å
2EU2 Human Carbonic Anhydrase II in complex with novel inhibitors Deposited 2005-10-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 5DS (R)-1-AMINO-1-[5-(DIMETHYLAMINO)-1,3,4-THIADIAZOL-2-YL]METHANESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；2.6 M Ammonium sulfate 50 mM Tris-Cl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.15 Å R-free 0.166
2EU3 Human Carbonic anhydrase II in complex with novel inhibitors Deposited 2005-10-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa） Fragment：human carbonic anhydrase II
Not recorded ZN ZINC ION × 1 FF3 1-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1,1-DIFLUOROMETHANESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；2.6 M ammonium sulfate 50 mM Tris-Cl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.60 Å R-free 0.212
2EZ7 Carbonic anhydrase activators. Activation of isozymes I, II, IV, VA, VII and XIV with L- and D-histidine and crystallographic analysis of their adducts with isoform II: engineering proton transfer processes within the active site of an enzyme Deposited 2005-11-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded HG MERCURY (II) ION × 1 ZN ZINC ION × 1 DHI D-HISTIDINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；275 K；2.4 M ammonium sulphate, tris, HCl 50 mM, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 275K
Resolution 2.00 Å R-free 0.300
2F14 Tne Crystal Structure of the Human Carbonic Anhydrase II in Complex with a Fluorescent Inhibitor Deposited 2005-11-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 FL1 5-{[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONOTHIOYL]AMINO}-2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)BENZOIC ACID × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；AMMONIUM SULPHATE, TRIS-HCL, 4-HYDROXYMERCURYBENZOATE, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.71 Å R-free 0.202
2FMG Carbonic anhydrase activators. Activation of isoforms I, II, IV, VA, VII and XIV with L- and D- phenylalanine and crystallographic analysis of their adducts with isozyme II: sterospecific recognition within the active site of an enzyme and its consequences for the drug design, structure with L-phenylalanine Deposited 2006-01-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 PHE PHENYLALANINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；277 K；2.4-2.5 M (NH4)2SO4 in 50mM Tris.HCl pH 7.7-7.8, 1 mM sodium 4-(hydroxymercury)benzoate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.60 Å R-free 0.240
2FMZ Carbonic anhydrase activators. Activation of isoforms I, II, IV, VA, VII and XIV with L- and D- phenylalanine, structure with D-Phenylalanine. Deposited 2006-01-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 DPN D-PHENYLALANINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；278 K；Tris.HCl pH 7.7-7.8 , sodium 4-(hydroxymercury)benzoate), VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 1.60 Å R-free 0.237
2FNK Activation of Human Carbonic Anhydrase II by exogenous proton donors Deposited 2006-01-11 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：H64W ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；50 mM Tris-Cl. pH 8.2 2.6 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.242
2FNM Activation of human carbonic anhdyrase II by exogenous proton donors Deposited 2006-01-11 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：W5A, H64W ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；50 mM Tris-Cl pH 8.2 2.5 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.241
2FNN Activation of human carbonic anhydrase II by exogenous proton donors Deposited 2006-01-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：W5A, H64W ZN ZINC ION × 1 4MZ 4-METHYLIMIDAZOLE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；50 mM Tris-Cl, pH 8.2 2.5 M ammonium sulfate 50 mM 4-methylimidazole, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.238
2FOQ Human Carbonic Anhydrase II complexed with two-prong inhibitors Deposited 2006-01-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 B15 [2,2'-({4-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]BENZYL}IMINO)DIACETATO(2-)-KAPPAO]COPPER × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；277 K；2.5 M (NH4)2SO4, 50 mM Tris-SO4 pH 7.7, 50 mM Tris-SO4 pH 8.0, 1mM methylmercuric acetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.25 Å R-free 0.213
2FOS Human Carbonic Anhydrase II complexed with two-prong inhibitors Deposited 2006-01-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 CU COPPER (II) ION × 2 B17 {1-[4-(AMINOSULFONYL)PHENYL]-11-[(CARBOXY-KAPPAO)METHYL]-1-OXO-5,8-DIOXA-2,11-DIAZATRIDECAN-13-OATO(2-)-KAPPAO~13~}COPPER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；277 K；NH4(SO4)2, Tris-sulfate, methylmercuric acetate, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.10 Å R-free 0.153
2FOU Human Carbonic Anhydrase II complexed with two-prong inhibitors Deposited 2006-01-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 CU COPPER (II) ION × 1 B22 [2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-2-OXOETHYL]IMINO}DIACETATO(2-)-KAPPAO]COPPER × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；277 K；2.5 M (NH4)2SO4, Tris-SO4, methylmercuric acetate, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 0.99 Å R-free 0.135
2FOV Human Carbonic Anhydrase II complexed with two-prong inhibitors Deposited 2006-01-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 CU COPPER (II) ION × 1 B30 {2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-)-KAPPAO}COPPER × 2 CCN ACETONITRILE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；277 K；2.5 M (NH4)2SO4, Tris-SO4, methylmercuric acetate, pH 7.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.15 Å R-free 0.187
2GD8 Crystal structure analysis of the human carbonic anhydrase II in complex with a 2-substituted estradiol bis-sulfamate Deposited 2006-03-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 CL CHLORIDE ION × 1 PO1 (9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE × 2 MBO MERCURIBENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；AMMONIUM SULPHATE, SODIUM CHLORIDE, TRIS-HCL, 4-HYDROXYMERCURYBENZOATE, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.46 Å R-free 0.212
2GEH N-Hydroxyurea, a versatile zinc binding function in the design of metalloenzyme inhibitors Deposited 2006-03-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 2 NHY N-HYDROXYUREA × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；278 K；Tris.HCl pH 7.7-7.8, sodium 4-(hydroxymercury)benzoate , VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.00 Å R-free 0.229
2H15 Carbonic anhydrase inhibitors: Clashing with Ala65 as a means of designing isozyme-selective inhibitors that show low affinity for the ubiquitous isozyme II Deposited 2006-05-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–259（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 B19 N-{[(3AS,5AR,8AR,8BS)-2,2,7,7-TETRAMETHYLTETRAHYDRO-3AH-BIS[1,3]DIOXOLO[4,5-B:4',5'-D]PYRAN-3A-YL]METHYL}SULFAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；278 K；Tris-HCl pH 7.7-7.8, sodium 4-(hydroxymercury)benzoate, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 1.90 Å R-free 0.225
2H4N H94N CARBONIC ANHYDRASE II COMPLEXED WITH ACETAZOLAMIDE Deposited 1997-05-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Mutation：H94N ZN ZINC ION × 2 AZM 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；2M (NH4)2SO4; 100 MM TRIS PH 8.0; 5 MM N-HEXYL BETA-D-GLUCOPYRANOSIDE
Resolution 1.90 Å R-free 0.219
2HD6 Crystal structure of the human carbonic anhydrase II in complex with a hypoxia-activatable sulfonamide. Deposited 2006-06-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 CL CHLORIDE ION × 1 MBO MERCURIBENZOIC ACID × 1 BOS N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；2.5 M Ammonium Sulphate, 0.3 M Sodium Chloride, 0.1 M TRIS-HCl pH 8.2, 5 mM 4-(Hydroxymercurybenzoate)., VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.217
2HKK Carbonic anhydrase activators: Solution and X-ray crystallography for the interaction of andrenaline with various carbonic anhydrase isoforms Deposited 2006-07-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 ALE L-EPINEPHRINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；277 K；Tris.HCl pH 7.7-7.8 , sodium 4-(hydroxymercury)benzoate , VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.233
2HL4 Crystal structure analysis of human carbonic anhydrase II in complex with a benzenesulfonamide derivative Deposited 2006-07-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 CL CHLORIDE ION × 1 BO1 N-(4-sulfamoylphenyl)-beta-D-glucopyranosylamine × 1 MBO MERCURIBENZOIC ACID × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.4；293 K；2.5M Ammonium Sulphate, 0.3M Sodium Chloride, 0.1M Tris-HCl, 5mM mercury-parahydroxybenzoate, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.55 Å R-free 0.198
2HNC Crystal structure of the human carbonic anhydrase II in complex with the 5-amino-1,3,4-thiadiazole-2-sulfonamide inhibitor. Deposited 2006-07-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 1SA 5-AMINO-1,3,4-THIADIAZOLE-2-SULFONAMIDE × 1 MBO MERCURIBENZOIC ACID × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；2.5 M Ammonium Sulphate, 0.3 M Sodium Chloride, 0.1 M Tris-HCl pH 8.2, 5 mM 4-(hydroxymercurybenzoate)., VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.55 Å R-free 0.215
2HOC Crystal structure of the human carbonic anhydrase II in complex with the 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide inhibitor Deposited 2006-07-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 1CN 5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE × 2 MBO MERCURIBENZOIC ACID × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；Ammonium Sulphate, Sodium Chloride, Tris-HCl, 4-(hydroxymercurybenzoate), pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.223
2ILI Refine atomic structure of human carbonic anhydrase II Deposited 2006-10-02 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；100 mM tris-Cl, 1.15 M sodium citrate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.05 Å R-free 0.151
2NNG Structure of inhibitor binding to Carbonic Anhydrase II Deposited 2006-10-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 ZYX 4-(2-AMINOETHYL)BENZENESULFONAMIDE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.7；277 K；(NH4)2SO4, Tris, pH 7.7, vapor diffusion, temperature 277K
Resolution 1.20 Å R-free 0.165
2NNO Structure of inhibitor binding to Carbonic Anhydrase II Deposited 2006-10-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 M28 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.7；277 K；(NH4)2SO4, Tris, pH 7.7, vapor diffusion, temperature 277K
Resolution 1.01 Å R-free 0.148
2NNS Structure of inhibitor binding to Carbonic Anhydrase II Deposited 2006-10-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 CL CHLORIDE ION × 1 M25 N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.7；277 K；(NH4)2SO4, Tris, pH 7.7, vapor diffusion, temperature 277K
Resolution 1.03 Å R-free 0.164
2NNV Structure of inhibitor binding to Carbonic Anhydrase II Deposited 2006-10-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 M29 ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.7；277 K；(NH4)2SO4, Tris, pH 7.7, vapor diffusion, temperature 277K
Resolution 1.10 Å R-free 0.164
2NWO Structural and kinetic effect of hydrophobic mutations in the active site of human carbonic anhydrase II Deposited 2006-11-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–259（260 aa）
Mutation：N62L ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；50 mM Tris-Cl pH 8.2, 2.6 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.70 Å R-free 0.217
2NWP Structural and kinetic effects of hydrophobic mutations in the active site of human carbonic anhydrase II Deposited 2006-11-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–259（260 aa）
Mutation：N62L ZN ZINC ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；50 mM Tris-Cl pH 6.0, 2.6 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.201
2NWY Structural and kinetic effects of hydrophobic mutations on the active site of human carbonic anhydrase II Deposited 2006-11-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–259（260 aa）
Mutation：N67L ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；50 mM Tris-Cl pH 8.2, 2.6 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.65 Å R-free 0.201
2NWZ Structural and kinetic effects of hydrophobic mutations on the active site of human carbonic anhydrase II Deposited 2006-11-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–259（260 aa）
Mutation：N67L ZN ZINC ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；50 mM Tris-Cl pH 6, 2.6 M ammonium sulfate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.220
2NXR Structural effects of hydrophobic mutations on the active site of human carbonic anhydrase II Deposited 2006-11-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–259（260 aa）
Mutation：Y7F ZN ZINC ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；50 mM Tris-Cl pH 8.2, 2.6 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.70 Å R-free 0.199
2NXS Structural and kinetic effects of hydrophobic mutations in the active site of human carbonic anhydrase II Deposited 2006-11-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–259（260 aa）
Mutation：Y7F ZN ZINC ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 10；293 K；50 mM Tris-Cl pH 10, 2.6 M ammonium sulfate, pH 10.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.200
2NXT Structural and kinetic effects of hydrophobic mutations in the active site of human carbonic anhydrase II Deposited 2006-11-19 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–259（260 aa）
Mutation：Y7F ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；293 K；100 mM Tris-Cl pH 9, 1.2 M sodium citrate, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.15 Å R-free 0.186
2O4Z Crystal structure of the Carbonic Anhydrase II complexed with hydroxysulfamide inhibitor Deposited 2006-12-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 HSW N-hydroxysulfamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；Tris.HCl, pH 7.7-7.8, sodium 4-(hydroxymercury)benzoate , VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.10 Å R-free 0.266
2OSF Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study Deposited 2007-02-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa） Fragment：Carbonic anhydrase II
Not recorded ZN ZINC ION × 1 TH0 4-MERCAPTOBENZENE-1,3-DIOL × 1 S24 S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；Tris-HCL, AMMONIUM SULFATE, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；Tris-HCl, sodium citrate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.60 Å R-free 0.211
2OSM Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study Deposited 2007-02-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 HTS 2-MERCAPTOPHENOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；Tris-HCl, sodium citrate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.60 Å R-free 0.220
2POU The crystal structure of the human carbonic anhydrase II in complex with 4,5-dichloro-benzene-1,3-disulfonamide Deposited 2007-04-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 I7A 4,5-DICHLOROBENZENE-1,3-DISULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；277 K；2.5M Ammonium Sulphate, 0.3M Sodium Chloride, 0.1M TRIS-Hydrochloride, 1mM DTT, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.60 Å R-free 0.224
2POV The crystal structure of the human carbonic anhydrase II in complex with 4-amino-6-chloro-benzene-1,3-disulfonamide Deposited 2007-04-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 I7B 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；277 K；2.5 M AMMONIUM SULPHATE, 0.3 M SODIUM CHLORIDE, 0.1 M TRIS/HCL, 1MM DTT, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.60 Å R-free 0.213
2POW The crystal structure of the human carbonic anhydrase II in complex with 4-amino-6-trifluoromethyl-benzene-1,3-disulfonamide Deposited 2007-04-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 I7C 4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-1,3-DISULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；277 K；2.5M AMMONIUM SULPHATE, 0.3M SODIUM CHLORIDE, 0.1M TRIS-HYDROCHLORIDE, 1mM DTT, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.75 Å R-free 0.212
2Q1B Carbonic Anhydrase II in Complex with Saccharin Deposited 2007-05-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 2 HG MERCURY (II) ION × 1 BEZ BENZOIC ACID × 1 LSA 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；2.6-2.8M ammonium sulfate, 0.1M Tris-HCl, 0.001M chloro-mercury-benzoate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.70 Å R-free 0.216
2Q1Q Carbonic anhydrase inhibitors. Interaction of the antiepileptic drug sulthiame with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies Deposited 2007-05-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 OSP SULTHIAME × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；277 K；Tris.HCl pH 7.7-7.8 , sodium 4-(hydroxymercury)benzoate , VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.251
2Q38 Carbonic Anhydrase II in complex with Saccharin at 1.95 Angstrom Deposited 2007-05-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 LSA 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE × 2 BEZ BENZOIC ACID × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；2.5 M ammonium sulfate, 0.1 M tris hydrochloride, 0.3 M natrium chloride, 0.15 mM p-Chlormercuricbenzoic acid, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.95 Å R-free 0.260
2QO8 Crystal structure of the complex of hcaii with an indane-sulfonamide inhibitor Deposited 2007-07-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 3CC N-[(2R)-5-(aminosulfonyl)-2,3-dihydro-1H-inden-2-yl]-2-propylpentanamide × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.2；277 K；AMMONIUM SULPHATE, SODIUM CHLORIDE, TRIS-HCl, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 277 K, temperature 277.0K, pH 8.20
Resolution 1.40 Å R-free 0.199
2QOA Crystal structure of the complex of hcaii with an indane-sulfonamide inhibitor Deposited 2007-07-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 CL CHLORIDE ION × 1 MBO MERCURIBENZOIC ACID × 1 MAJ indane-5-sulfonamide × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；277 K；AMMONIUM SULPHATE, SODIUM CHLORIDE, TRIS-HCl, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K, temperature 277.0K
Resolution 1.60 Å R-free 0.196
2QP6 The crystal structure of the complex of hcaII with a bioreductive antitumor derivative Deposited 2007-07-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 CL CHLORIDE ION × 1 HG MERCURY (II) ION × 1 MBO MERCURIBENZOIC ACID × 1 MB1 2-chloro-5-nitrobenzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；277 K；AMMONIUM SULPHATE, SODIUM CHLORIDE, TRIS-HCl, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 277 K
Resolution 1.45 Å R-free 0.207
2VVA Human carbonic anhydrase in complex with CO2 Deposited 2008-06-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 1–125（125 aa）
Chain X 126–260（135 aa）
Not recorded SO4 SULFATE ION × 1 CO2 CARBON DIOXIDE × 2 GOL GLYCEROL × 2 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 2.4 M (NH4)2(SO4). 0.1 M TRIS PH = 8.5
Resolution 1.56 Å R-free 0.200
2VVB Human carbonic anhydrase II in complex with bicarbonate Deposited 2008-06-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 1–125（125 aa）
Chain X 126–260（135 aa）
Not recorded SO4 SULFATE ION × 2 BCT BICARBONATE ION × 1 CO2 CARBON DIOXIDE × 1 GOL GLYCEROL × 2 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 2.4 M (NH4)2SO4. 0.1 M TRIS PH 8.5
Resolution 1.66 Å R-free 0.213
2WD2 A chimeric microtubule disruptor with efficacy on a taxane resistant cell line Deposited 2009-03-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa） Fragment：RESIDUES 2-260
Not recorded ZN ZINC ION × 2 MS5 7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate × 1 FMT FORMIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；100 MM TRIS-HCL, 1 MM ZNSO4, 2.5 M AMMONIUM SULFATE; 30 MM 2-MERCAPTOETHANOL, 0.5 MM 2-(3-METHOXYBENZYL)-6-O-SULFAMOYL-7-METHOXY-1,2,3,4- TETRAHYDROISOQUINOLINE, PH 8.0, VAPOUR DIFFUSION, HANGING DROP, TEMPERATURE 277K
Resolution 1.49 Å R-free 0.227
2WD3 Highly Potent First Examples of Dual Aromatase-Steroid Sulfatase Inhibitors based on a Biphenyl Template Deposited 2009-03-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa） Fragment：RESIDUES 2-260
Not recorded MS4 3-CHLORO-2'-CYANO-5'-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BIPHENYL-4-YL SULFAMATE × 2 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；100 MM TRIS-HCL, 1 MM ZNSO4, 2.5 M AMMONIUM SULFATE; 30 MM 2-MERCAPTOETHANOL, 0.5 MM 5'-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-3-CHLORO-2'- CYANOBIPHENYL-4-YL SULFAMATE, PH 8.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K
Resolution 1.80 Å R-free 0.188
2WEG Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors Deposited 2009-03-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa） Fragment：RESIDUES 2-260
Not recorded ZN ZINC ION × 1 FBV 2-fluorobenzenesulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.10 Å R-free 0.183
2WEH Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors Deposited 2009-03-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa） Fragment：RESIDUES 2-260
Not recorded ZN ZINC ION × 1 FB1 2-CHLOROBENZENESULFONAMIDE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.09 Å R-free 0.241
2WEJ Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors Deposited 2009-03-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa） Fragment：RESIDUES 2-260
Not recorded ZN ZINC ION × 1 FB2 benzenesulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.45 Å R-free 0.220
2WEO Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors Deposited 2009-04-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa） Fragment：RESIDUES 2-260
Not recorded ZN ZINC ION × 1 FBW 3-fluorobenzenesulfonamide × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.40 Å R-free 0.185
2X7S Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. Deposited 2010-03-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa） Fragment：RESIDUES 2-260
Not recorded GOL GLYCEROL × 2 WZC (13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL SULFAMATE × 2 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；100 MM TRIS-HCL, 1 MM ZNSO4, 2.5 M AMMONIUM SULFATE; 30 MM 2-MERCAPTOETHANOL, 5% GLYCEROL; 0.5 MM 2-METHOXYESTRADIOL 3-O-SULFAMATE, PH 8.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K
Resolution 1.64 Å R-free 0.277
2X7T Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. Deposited 2010-03-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa） Fragment：RESIDUES 2-260
Not recorded WZB (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE × 1 GOL GLYCEROL × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；100 MM TRIS-HCL, 1 MM ZNSO4, 2.5 M AMMONIUM SULFATE; 30 MM 2-MERCAPTOETHANOL, 0.5 MM 2-METHOXYESTRADIOL 3-O-SULFAMATE, PH 8.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K
Resolution 1.89 Å R-free 0.248
2X7U Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. Deposited 2010-03-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa） Fragment：2-260
Not recorded ZN ZINC ION × 2 WZA (9BETA,14BETA,17BETA)-17-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-3-YL SULFAMATE × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；100 MM TRIS-HCL, 1 MM ZNSO4, 2.38 M AMMONIUM SULFATE; 30 MM 2-MERCAPTOETHANOL, 2.5% GLYCEROL; 0.5 MM 2-METHOXYESTRADIOL 3-O-SULFAMATE, PH 8.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K
Resolution 2.12 Å R-free 0.253
3B4F Carbonic anhydrase inhibitors. Interaction of 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies Deposited 2007-10-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 TUO 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；277 K；Tris HCl pH 7.7-7.8 , sodium 4-(hydroxymercury)benzoate , VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.89 Å R-free 0.239
3BET Crystal structure of the human carbonic anhydrase II in complex with STX 641 at 1.85 angstroms resolution Deposited 2007-11-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 CTF (17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.4；293 K；2.8M ammonium sulphate, 0.3M sodium chloride, 0.1M TRIS-HCl pH 8.4, 1mM dithiothreitol , VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.85 Å R-free 0.203
3BL0 Carbonic anhydrase inhibitors. Interaction of 2-N,N-Dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies Deposited 2007-12-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 BL0 1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide × 1 MBO MERCURIBENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；277 K；Tris.HCl pH 7.7-7.8 , sodium 4-(hydroxymercury)benzoate , VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.249
3BL1 Carbonic anhydrase inhibitors. Sulfonamide diuretics revisited old leads for new applications Deposited 2007-12-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 BL1 4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；277 K；Tris.HCl pH 7.7-7.8 , sodium 4-(hydroxymercury)benzoate , VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.10 Å R-free 0.299
3C7P Crystal structure of human carbonic anhydrase II in complex with STX237 Deposited 2008-02-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CL CHLORIDE ION × 1 POF (4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate × 1 MBO MERCURIBENZOIC ACID × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.4；293 K；2.6M Ammonium Sulphate, 0.3M Sodium Chloride, 0.1M Tris-HCl pH 8.4, 5mM mercury para-hydroxybenzoate , VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.70 Å R-free 0.202
3CA2 CRYSTALLOGRAPHIC STUDIES OF INHIBITOR BINDING SITES IN HUMAN CARBONIC ANHYDRASE II. A PENTACOORDINATED BINDING OF THE SCN-ION TO THE ZINC AT HIGH P*H Deposited 1989-10-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded HG MERCURY (II) ION × 2 ZN ZINC ION × 1 AMS 3-MERCURI-4-AMINOBENZENESULFONAMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å
3CAJ Crystal structure of the human carbonic anhydrase II in complex with ethoxzolamide Deposited 2008-02-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CL CHLORIDE ION × 1 EZL 6-ethoxy-1,3-benzothiazole-2-sulfonamide × 1 MBO MERCURIBENZOIC ACID × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；2.5M ammonium sulphate, 0.3M sodium chloride, 0.1M Tris-HCl, 1mM DTT, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.214
3CYU Human Carbonic Anhydrase II complexed with Cryptophane biosensor and xenon Deposited 2008-04-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 0CR MoMo-2-[4-(2-(4-(methoxy)-1H-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1H-1,2,3-triazol-1-y l)propanoic acid]-cryptophane-A × 1 1CR PoPo-2-[4-(2-(4-(methoxy)-1H-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1H-1,2,3-triazol-1-yl)propanoic acid]-cryptophane-A × 1 XE XENON × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；27-32% PEG 3350, 0.05M Tris-sulfate, 3.5mM 2-mercaptoethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.70 Å R-free 0.249
3D8W Use of a carbonic Anhydrase II, IX Active-site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties Deposited 2008-05-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 D8W 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；100mM tris-HCl, 1.3 m Sodium citrate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.195
3D92 Human carbonic anhydrase II bound with substrate carbon dioxide Deposited 2008-05-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；300 K；1.3M sodium citrate, 100mM Tris-HCl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Resolution 1.10 Å R-free 0.129
3D93 Apo Human carbonic anhydrase II bound with substrate carbon dioxide Deposited 2008-05-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO2 CARBON DIOXIDE × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；300 K；1.3 M Ammonium citrate, 100 mM Tris-HCl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Resolution 1.10 Å R-free 0.139
3D9Z Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties Deposited 2008-05-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 D9Z 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；298 K；1.3M sodium citrate, 100mM Tris-HCl, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.65 Å R-free 0.190
3DAZ Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties Deposited 2008-05-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MZM N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 9；298 K；1.3M sodium citrate, 100mM Tris-HCl, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.60 Å R-free 0.190
3DBU Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties Deposited 2008-06-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S,N67Q ZN ZINC ION × 1 D8W 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；298 K；1.3M sodium citrate, 100mM Tris-HCl, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.197
3DC3 Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties Deposited 2008-06-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S,N67Q ZN ZINC ION × 1 AZM 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；298 K；1.3M sodium citrate, 100mM Tris-HCl, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.193
3DC9 Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties Deposited 2008-06-03 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S,N67Q ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；298 K；1.3M sodium citrate, 100mM Tris-HCl, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.60 Å R-free 0.200
3DCC Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties Deposited 2008-06-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S,N67Q ZN ZINC ION × 1 D9Z 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；298 K；1.3M sodium citrate, 100mM Tris-HCl, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.60 Å R-free 0.206
3DCS Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties Deposited 2008-06-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S,N67Q ZN ZINC ION × 1 MZM N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；298 K；1.3M sodium citrate, 100mM Tris-HCl, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.80 Å R-free 0.214
3DCW Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties Deposited 2008-06-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S,N67Q ZN ZINC ION × 1 EZL 6-ethoxy-1,3-benzothiazole-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；298 K；1.3M sodium citrate, 100mM Tris-HCl, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.50 Å R-free 0.190
3DD0 Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties Deposited 2008-06-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 EZL 6-ethoxy-1,3-benzothiazole-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；298 K；1.3M sodium citrate, 100mM Tris-HCl, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.48 Å R-free 0.180
3DD8 Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD-486019 with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies Deposited 2008-06-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 2C7 2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；277 K；50mM Tris-HCl pH 7.7-7.8, 2mM sodium 4-(hydroxymercury)benzoate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.256
3DV7 Role of Hydrophilic Residues in Proton Transfer During Catalysis by Human Carbonic Anhydrase II (N62A) Deposited 2008-07-18 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Mutation：N62A ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.9；300 K；1.3 M Sodium Citrate, 50mM Tris-HCl, pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Resolution 1.70 Å R-free 0.195
3DVB X-ray crystal structure of mutant N62V human Carbonic Anhydrase II Deposited 2008-07-18 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Mutation：N62V ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.9；300 K；50mM Tris-HCl 1.3 M Sodium Citrate, pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Resolution 1.70 Å R-free 0.197
3DVC X-ray crystal structure of mutant N62T of human Carbonic Anhydrase II Deposited 2008-07-18 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Mutation：N62T ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.9；300 K；50mM Tris-HCl 1.3 M Sodium Citrate, pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Resolution 1.60 Å R-free 0.195
3DVD X-ray crystal structure of mutant N62D of human Carbonic Anhydrase II Deposited 2008-07-18 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Mutation：N62D ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.9；300 K；50mM Tris-HCl 1.3 M Sodium Citrate, pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Resolution 1.60 Å R-free 0.183
3EFI Carbonic anhydrase activators: Kinetic and X-ray crystallographic study for the interaction of d- and l-tryptophan with the mammalian isoforms I-XIV Deposited 2008-09-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 TRP TRYPTOPHAN × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；50mM Tris.HCl pH 7.7-7.8, 2mM sodium 4-(hydroxymercury)benzoate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.75 Å R-free 0.222
3EFT Crystal structure of the complex between Carbonic Anhydrase II and a spin-labeled sulfonamide incorporating TEMPO moiety Deposited 2008-09-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 3BS 3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；50mM Tris.HCl pH 7.7-7.8, 2mM sodium 4-(hydroxymercury)benzoate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.85 Å R-free 0.240
3F4X Carbonic anhydrase inhibitors. Comparison of chlorthalidone and indapamide X-ray crystal structures in adducts with isozyme II: when three water molecules make the difference Deposited 2008-11-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 KLT 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；277 K；Tris.HCl pH 7.7-7.8, sodium 4-(hydroxymercury)benzoate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.252
3F8E Coumarins are a novel class of suicide carbonic anhydrase inhibitors Deposited 2008-11-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 2 TE1 (2Z)-3-{2-hydroxy-5-[(1S)-1-hydroxy-3-methylbutyl]-4-methoxyphenyl}prop-2-enoic acid × 1 BEZ BENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.7；277 K；Tris-HCl (pH 7.7-7.8), sodium 4-(hydroxymercury)benzoate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.268
3FFP X ray structure of the complex between carbonic anhydrase II and LC inhibitors Deposited 2008-12-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 LC1 2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide × 1 BEZ BENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；100mM Tris-HCl PH 7.7-7.8, 2mM sodium 4-(hydroxymercury)benzoate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.81 Å R-free 0.240
3GZ0 Apo-human carbonic anhydrase II revisited: Implications of the loss of a metal in protein structure, stability and solvent network Deposited 2009-04-06 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；rystals of apo-HCA II were obtained through hanging drop method. 10 ul drops of equal amounts of protein and precipitant were equilibrated against precipitant solution (1.3 M Sodium Citrate, 100mM Tris-HCl, pH 7.0) by vapor diffusion at room temperature (~20 C). A crystal was cryoprotected by quick immersion into 20% glycerol mother liquor and flash-cooled by exposing it to a gas stream of nitrogen at 100K, vapor diffusion, hanging drop, temperature 293K
Resolution 1.26 Å R-free 0.187
3HFP Crystal structure of teh complex between CA II and the activator MAI Deposited 2009-05-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 MIZ 1-[2-(1H-imidazol-4-yl)ethyl]-2,4,6-trimethylpyridinium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；Tris.HCl pH 7.7-7.8, sodium 4-(hydroxymercury)benzoate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.10 Å R-free 0.296
3HKN Human carbonic anhydrase II in complex with (2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl) -(1-4)-1,2,3,6-tetra-O-acetyl-1-thio-beta-D-glucopyranosylsulfonamide Deposited 2009-05-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.5；289 K；2.6 M (NH4)2SO4, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 1.80 Å R-free 0.220
3HKQ Human carbonic anhydrase II in complex with 1-S-D-Galactopyranosylsulfonamide Deposited 2009-05-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 1SD (1S)-1,5-anhydro-1-sulfamoyl-D-galactitol × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.5；289 K；2.6M (NH4)2SO4, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 1.70 Å R-free 0.221
3HKT Human carbonic anhydrase II in complex with alpha-D-Glucopyranosyl-(1->4)-1-thio-beta-D-glucopyranosylsulfonamide Deposited 2009-05-25 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.5；289 K；2.6M (NH4)2SO4, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 2.36 Å R-free 0.248
3HKU Human carbonic anhydrase II in complex with topiramate Deposited 2009-05-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 TOR [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.5；289 K；2.6M (NH4)2SO4, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 1.80 Å R-free 0.198
3HLJ Crystal structure of human carbonic anhydrase isozyme II with 3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide Deposited 2009-05-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded V21 3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide × 1 NA SODIUM ION × 1 UNX UNKNOWN LIGAND × 8 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；Crystallization buffer was 0.1M sodium BICINE, pH9.0, 0.2M ammonium sulfate and 2M sodium malonate, pH7.0 made from 1M sodium BICINE and 3.4M sodium malonate, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 1.44 Å R-free 0.206
3HS4 Human carbonic anhydrase II complexed with acetazolamide Deposited 2009-06-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 AZM 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；298 K；1.3 M Sodium citrate, 100 mM Tris-HCl pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.10 Å R-free 0.140
3IBI The crystal structure of the human carbonic anhydrase II in complex with an aliphatic sulfamate inhibitor Deposited 2009-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 BOW octyl sulfamate × 1 HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.6；298 K；AMMONIUM SULPHATE 2.6M, TRIS-HCL 0.1M, SODIUM CHLORIDE 0.3M, 4-HYDROXYMERCURYBENZOATE, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.93 Å R-free 0.205
3IBL The crystal structure of the human carbonic anhydrase II in complex with an aliphatic bis-sulfamate inhibitor Deposited 2009-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 O59 octane-1,8-diyl disulfamate × 1 HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.6；298 K；AMMONIUM SULPHATE 2.6M, TRIS-HCL 0.1M, SODIUM CHLORIDE 0.3M, 4-HYDROXYMERCURYBENZOATE , pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.55 Å R-free 0.200
3IBN The crystal structure of the human carbonic anhydrase II in complex with an aliphatic bis-sulfamate inhibitor Deposited 2009-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 CL CHLORIDE ION × 1 O60 decane-1,10-diyl disulfamate × 1 HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.6；298 K；AMMONIUM SULPHATE 2.6M, TRIS-HCL 0.1M, SODIUM CHLORIDE 0.3M, 4-HYDROXYMERCURYBENZOATE, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.20 Å R-free 0.223
3IBU The crystal structure of the human carbonic anhydrase II in complex with an aliphatic sulfamate inhibitor Deposited 2009-07-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 O48 decyl sulfamate × 1 HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.6；298 K；AMMONIUM SULPHATE 2.6M, TRIS-HCL 0.1M, SODIUM CHLORIDE 0.3M, 4-HYDROXYMERCURYBENZOATE , pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.41 Å R-free 0.215
3IEO The coumarin-binding site in carbonic anhydrase: the antiepileptic lacosamide as an example Deposited 2009-07-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 2 AMJ N~2~-acetyl-N-benzyl-O-methyl-L-serinamide × 1 BEZ BENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；Tris.HCl pH 7.7-7.8 , sodium 4-(hydroxymercury)benzoate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.292
3IGP Structure of inhibitor binding to Carbonic Anhydrase II Deposited 2009-07-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DT7 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；291 K；2.5M ammonium sulfate, 0.3M sodium chloride, 0.1M tris-HCl, pH8.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.65 Å R-free 0.196
3K2F Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma Deposited 2009-09-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 NKX (2S)-2,3-bis(nitrooxy)propyl ethyl[(4S,6S)-6-methyl-7,7-dioxido-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；Tris.HCl pH7.7-7.8, sodium 4-(hydroxymercury)benzoate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.98 Å R-free 0.272
3K34 Human carbonic anhydrase II with a sulfonamide inhibitor Deposited 2009-10-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 ZN ZINC ION × 1 SUA (4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；298 K；3M ammonium sulfate, 50 mM tris-Cl 2mM pHMB , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 0.90 Å R-free 0.160
3K7K Crystal structure of the complex between Carbonic Anhydrase II and anions Deposited 2009-10-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 KCS carbonotrithioic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；Tris.HCl pH 7.7-7.8 , sodium 4-(hydroxymercury)benzoate , VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.248
3KIG Mutant carbonic anhydrase II in complex with an azide and an alkyne Deposited 2009-11-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：CARBONIC ANHYDRASE II
Mutation：H64C ZN ZINC ION × 1 DA9 2-azido-N-(2-sulfanylethyl)ethanamide × 2 DA4 3-ethynylbenzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；291 K；2.5M ammonium sulfate, 50mM TRIS, 500 M azide, 500 M alkyne, 1mM DTT, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.39 Å R-free 0.191
3KKX Neutron structure of human carbonic anhydrase II Deposited 2009-11-06 Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 NEUTRON DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 9；293 K；1.15 M sodium citrate, 100 mM Tris pH 9, VAPOR DIFFUSION, temperature 293K
Resolution 2.00 Å R-free 0.286
3KNE Carbonic Anhydrase II H64C mutant in complex with an in situ formed triazole Deposited 2009-11-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：H64C ZN ZINC ION × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 DAW N-[(S)-(1-{2-oxo-2-[(3-sulfanylpropyl)amino]ethyl}-1H-1,2,3-triazol-5-yl)(phenyl)methyl]-4-sulfamoylbenzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.8；291 K；2.5M ammonium sulfate, 50mM TRIS, 0.1mM p-chloromercuricbenzoic acid,500 M alkyne, 500 M azide, 500 M DTT, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.35 Å R-free 0.183
3KOI Crystal structure of cobalt (III) human carbonic anhydrase II at pH 6.0 Deposited 2009-11-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded 3CO COBALT (III) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；300 K；1.4 M sodium citrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Resolution 1.64 Å R-free 0.215
3KOK Crystal structure of cobalt (II) human carbonic anhydrase II at pH 8.5 Deposited 2009-11-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO COBALT (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；300 K；1.4 M sodium citrate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Resolution 1.50 Å R-free 0.227
3KON Crystal structure of cobalt (II) human carbonic anhydrase II at pH 11.0 Deposited 2009-11-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO COBALT (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；300 K；1.4 M sodium citrate, pH 11.0, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Resolution 1.50 Å R-free 0.235
3KS3 High resolution structure of Human Carbonic Anhydrase II at 0.9 A Deposited 2009-11-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 0.90 Å R-free 0.145
3KWA Polyamines inhibit carbonic anhydrases Deposited 2009-12-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 SPM SPERMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；50mM Tris-HCl pH 7.7-7.8, 2mM sodium 4-(hydroxymercury)benzoate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.286
3L14 Human Carbonic Anhydrase II complexed with Althiazide Deposited 2009-12-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 2 I7B 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；298 K；50 mM Tris-HCl, 1.3 M Sodium Citrate, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.22 Å R-free 0.173
3L14 Human Carbonic Anhydrase II complexed with Althiazide Deposited 2009-12-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 I7B 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；298 K；50 mM Tris-HCl, 1.3 M Sodium Citrate, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.22 Å R-free 0.173
3M04 Carbonic Anhydrase II in complex with novel sulfonamide inhibitor Deposited 2010-03-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：Carbonic Anhydrase II
Not recorded ZN ZINC ION × 1 BE9 phenyl N-sulfamoylmorpholine-4-carboximidoate × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；291 K；2.5 M ammonium sulfate 50 mM Tris 0.1 mM p-chloromercuribenzoic acid 1 mM Sulfonamide, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.40 Å R-free 0.170
3M14 Carbonic Anhydrase II in complex with novel sulfonamide inhibitor Deposited 2010-03-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：Carbonic Anhydrase II
Not recorded ZN ZINC ION × 1 BEV N-[(2Z)-1,3-thiazolidin-2-ylidene]sulfamide × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；291 K；2.5 M Ammoniumsulfate 50 mM Tris 0.1 mM p-chloromercuribenzoic acid 1 mM Sulfonamide, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.38 Å R-free 0.176
3M1J The crystal structure of a NAMI A-Carbonic Anhydrase II adduct discloses the mode of action of this novel anticancer metallodrug Deposited 2010-03-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 RU RUTHENIUM ION × 1 MBO MERCURIBENZOIC ACID × 1 DMS DIMETHYL SULFOXIDE × 1 IMD IMIDAZOLE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；Tris-HCl pH 7.7-7.8, sodium 4-(hydroxymercury)benzoate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.235
3M1K Carbonic Anhydrase in complex with fragment Deposited 2010-03-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 BEW 1-hydroxy-2-sulfanylpyridinium × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；291 K；2.5 M ammonium sulfate 50 mM Tris 0.1 mM p-Chloromercuribenzoicacid 1 mM Fragment, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.35 Å R-free 0.186
3M1Q Carbonic Anhydrase II mutant W5C-H64C with opened disulfide bond Deposited 2010-03-05 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：Carbonic Anhydrase II
Mutation：W5C-H64C ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；291 K；2.75 M ammonium sulfate 50 mM Tris, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.69 Å R-free 0.209
3M1W Carbonic Anhyrdase II mutant W5CH64C with closed disulfide bond in complex with sulfate Deposited 2010-03-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：Carbonic Anhydrase II
Mutation：W5C-H64C ZN ZINC ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；291 K；2.75 M ammonium sulfate 50 mM Tris 1mM CuSO4 (soaking), pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.38 Å R-free 0.175
3M2N Crystal structure of human carbonic anhydrase isozyme II with 4-{2-[N-(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide Deposited 2010-03-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded J74 4-{2-[(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide × 1 ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 BCN BICINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M Na-Bicine pH 9, 2M Na-Malonate pH7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.65 Å R-free 0.203
3M2X Carbonic Anhydrase II in complex with novel sulfonamide inhibitor Deposited 2010-03-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：Carbonic Anhydrase II
Not recorded ZN ZINC ION × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 BEX N-[(R)-[(3,4-dimethoxyphenyl)amino](phenoxy)methyl]sulfamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；291 K；2.5 M ammonium sulfate 50 mM Tris 0.1 mM p-chloromercuribenzoic acid 1 mM Sulfonamide, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.87 Å R-free 0.227
3M2Y Carbonic Anhydrase II in complex with novel sulfonamide inhibitor Deposited 2010-03-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：Carbonic Anhydrase II
Not recorded ZN ZINC ION × 2 HG MERCURY (II) ION × 1 BE0 piperidine-1-sulfonamide × 2 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；291 K；2.5 M ammonium sulfate 50 mM Tris 0.1 mM p-chloromercuribenzoic acid 1 mM Sulfonamide, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.17 Å R-free 0.161
3M2Z Fragment tethered to Carbonic Anhydrase II H64C mutant Deposited 2010-03-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：Carbonic Anhydrase II
Mutation：H64C ZN ZINC ION × 1 BFE N-(2-sulfanylethyl)benzamide × 1 CO3 CARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；291 K；2.5 M ammonium sulfate 50 mM Tris 0.5 mM DTT 1 mM fragment, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.70 Å R-free 0.220
3M3X Crystal structure of human carbonic anhydrase isozyme II with 4-{2-[N-(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide Deposited 2010-03-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 JS7 4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1M Na-bicine pH 9.0, 2M Na-Malonate pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.68 Å R-free 0.222
3M40 Crystal structure of human carbonic anhydrase isozyme II with 4-[N-(6-chloro-5-nitropyrimidin-4-yl)amino]benzenesulfonamide Deposited 2010-03-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 J45 4-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzenesulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1M Na-bicine pH 9.0, 2M Na-Malonate pH7.55, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.60 Å R-free 0.224
3M5E Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]methyl}benzenesulfonamide Deposited 2010-03-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 JDR 4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1M Na-bicine pH 9.0, 2M Na-malonate pH 7.55, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.70 Å R-free 0.202
3M5S Carbonic Anhydrase II mutant H64C in complex with carbonate Deposited 2010-03-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：Carbonic Anhydrase II
Mutation：H64C ZN ZINC ION × 1 CO3 CARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；291 K；2.75 M ammoniumsulfate 50 mM Tris , pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.40 Å R-free 0.179
3M5T Fragment tethered to Carbonic Anhydrase II H64C mutant Deposited 2010-03-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：Carbonic Anhydrase II
Mutation：H64C ZN ZINC ION × 1 BFG 3,3-diphenyl-N-(2-sulfanylethyl)propanamide × 1 CO3 CARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；291 K；2.5 M ammonium sulfate 50 mM Tris 0.5 mM DTT 1 mM Fragment, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.95 Å R-free 0.250
3M67 Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide Deposited 2010-03-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded E36 2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide × 1 ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1M Na-bicine pH 9.0, 2M Na-Malonate pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.80 Å R-free 0.228
3M96 Crystal structure of human carbonic anhydrase isozyme II with 5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide Deposited 2010-03-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 E38 5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9.0, 0.2 M ammonium sulfate and 2M sodium malonate, pH 7.0 made from 1M sodium BICINE and 3.4M sodium malonate, vapor diffusion, sitting drop, temperature 291K
Resolution 1.40 Å R-free 0.213
3M98 Crystal structure of human carbonic anhydrase isozyme II with 5-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide Deposited 2010-03-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 E02 5-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9.0, 0.2 M ammonium sulfate and 2M sodium malonate, pH 7.0 made from 1M sodium BICINE and 3.4M sodium malonate, vapor diffusion, sitting drop, temperature 291K
Resolution 1.50 Å R-free 0.184
3MHC Crystal structure of human cabonic anhydrase II in adduct with an adamantyl analogue of acetazolamide in a novel hydrophobic binding pocket Deposited 2010-04-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 ARZ (3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；1.6 Sodium citrate, 50mM Tris pH 8.0, VAPOR DIFFUSION, HANGING DROP
Resolution 1.70 Å R-free 0.212
3MHI Crystal structure of human carbonic anhydrase isozyme II with 4-{[(5-nitro-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]methyl}benzenesulfonamide Deposited 2010-04-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 J90 4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide × 2 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 9；293 K；0.1M Na-bicine pH 9, 2.6M Na-malonate pH 7, VAPOR DIFFUSION, temperature 293K
Resolution 1.70 Å R-free 0.215
3MHL Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide Deposited 2010-04-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 J71 4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 9；293 K；0.1M Na-bicine pH 9, 2.6M Na-malonate pH 7, VAPOR DIFFUSION, temperature 293K
Resolution 1.90 Å R-free 0.219
3MHM Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-benzylamino-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide Deposited 2010-04-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 J75 4-({[6-(benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；293 K；0.1M Na-bicine pH 9, 0.2M ammonium sulfate, 2.4M Na-malonate pH 7, VAPOR DIFFUSION, temperature 293K
Resolution 1.50 Å R-free 0.187
3MHO Crystal structure of human carbonic anhydrase isozyme II with 4-[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]benzenesulfonamide Deposited 2010-04-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 J43 4-{[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzenesulfonamide × 1 UNL UNKNOWN LIGAND × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 9；293 K；0.1M Na-bicine pH 9, 2M Na-malonate pH 7, 0.2M ammonium sulfate , VAPOR DIFFUSION, temperature 293K
Resolution 1.15 Å R-free 0.192
3ML2 Human carbonic anhydsase II in complex with an aryl sulfonamide inhibitor Deposited 2010-04-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 SU0 2-(7-methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoylphenyl)acetamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3M sodium citrate, 100mm tris-hcl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.222
3MMF Crystal structure of human carbonic anhydrase II in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor Deposited 2010-04-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 D9H 4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3M sodium citrate, 100Mm tris-hkl., pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.50 Å R-free 0.182
3MNA The crystal structure of human carbonic anhydrase Ii in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor Deposited 2010-04-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DWH methyl N-{4-chloro-6-[(4-sulfamoylphenyl)amino]-1,3,5-triazin-2-yl}glycinate × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3M sodium citrate, 100mM tris-hcl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.50 Å R-free 0.169
3MNH Human Carbonic Anhydrase II Mutant K170A Deposited 2010-04-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：K170A ZN ZINC ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.3M Sodium Citrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.65 Å R-free 0.188
3MNI Human Carbonic Anhydrase II Mutant K170D Deposited 2010-04-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：K170D ZN ZINC ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.3M Sodium Citrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.75 Å R-free 0.190
3MNJ Human Carbonic Anhydrase II Mutant K170E Deposited 2010-04-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：K170E ZN ZINC ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.3M Sodium Citrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.75 Å R-free 0.194
3MNK Human Carbonic Anhydrase II Mutant K170H Deposited 2010-04-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：K170H ZN ZINC ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.3M Sodium Citrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.75 Å R-free 0.186
3MNU Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron containing aromatic sulfamide with mammalian isoforms I-XV Deposited 2010-04-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 GOL GLYCEROL × 1 BON N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfamide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；2.6 M ammonium sulfate, 0.3 M sodium chloride, 0.1 M Tris-HCl, 5 mM 4-(hydroxymercurybenzoate), pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.80 Å R-free 0.205
3MWO Human carbonic anhydrase II in a doubled monoclinic cell: a re-determination Deposited 2010-05-06 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；50 mM Tris, 1.2 M sodium citrate, 5 ul + 5 ul droplet, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.40 Å R-free 0.184
3MWO Human carbonic anhydrase II in a doubled monoclinic cell: a re-determination Deposited 2010-05-06 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–260（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；50 mM Tris, 1.2 M sodium citrate, 5 ul + 5 ul droplet, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.40 Å R-free 0.184
3MYQ Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide Deposited 2010-05-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 DMS DIMETHYL SULFOXIDE × 2 E27 2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9.0, 0.2 M ammonium sulfate, and 2M sodium malonate, pH 7.0 made from 1M sodium BICINE and 3.4M sodium malonate, vapor diffusion, sitting drop, temperature 291K
Resolution 1.35 Å R-free 0.181
3MZC Human carbonic ahydrase II in complex with a benzenesulfonamide inhibitor Deposited 2010-05-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：human carbonic anhydrase II
Not recorded ZN ZINC ION × 1 S6I 4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.2 M sodium citrate, 50 mM tris-HCL, 5uL + 5uL droplet, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.50 Å R-free 0.187
3N0N Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor Deposited 2010-05-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：human carbonic anhydrase II
Not recorded ZN ZINC ION × 1 P9B 4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；50 mM tris-HCl, 1.2 M sodium citrate, 5 + 5 uL droplet, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.50 Å R-free 0.171
3N2P Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor Deposited 2010-05-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：human carbonic anhydrase II
Mutation：wt ZN ZINC ION × 1 AYX 4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；0.05 M tris-Cl, 1.3 M sodium citrate, 5 uL + 5 uL droplet, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.65 Å R-free 0.176
3N3J Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor Deposited 2010-05-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：human carbonic anhydrase II
Mutation：wt ZN ZINC ION × 1 GOL GLYCEROL × 1 WWV 4-({[2-(1-methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；0.05 M tris-HCl, 1.3 M sodium citrate, 5 uL + 5 uL droplet, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.50 Å R-free 0.174
3N4B Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor Deposited 2010-05-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：human carbonic anhydrase II
Mutation：wt ZN ZINC ION × 1 WWZ 4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；0.05 M tris-HCl, 1.3 M sodium citrate, 5 uL + 5 uL droplet, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.60 Å R-free 0.170
3NB5 Human carbonic anhydrase II in complex with 2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylphenethyl)acetamide Deposited 2010-06-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 R21 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；2.6M (NH4)2SO4, 0.1M TRIS/HCl, pH 8.5 , VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 1.80 Å R-free 0.207
3NI5 Carbonic anhydrase inhibitor: C1 family Deposited 2010-06-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 C1H 4-(nitrooxy)butyl 3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；100mM Tris.HCl pH 7.7-7.8, 2mM sodium 4-(hydroxymercury)benzoate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.10 Å R-free 0.272
3NJ9 Crystal structure of carbonic anhydrase II in complex with a Nir inhibitor Deposited 2010-06-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 TE2 3-(4-sulfamoylphenyl)-N-[6-({(6Z)-2-[(2Z)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethyl]-6-[(2E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}amino)hexyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；100mM Tris.HCl pH 7.7-7.8, 2mM sodium 4-(hydroxymercury)benzoate, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.257
3OIK Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3,17-O,O-bis-sulfamate Deposited 2010-08-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67Q ZN ZINC ION × 1 WZB (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 9；298 K；1.4 M Sodium Citrate, 100 mM Tris, 7.5 mM 2-Ethylestradiol 3,17-O,O-bis-sulfamate, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.50 Å R-free 0.163
3OIL Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3-O-sulfamate Deposited 2010-08-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67Q ZN ZINC ION × 1 VZ5 (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；298 K；1.4 M Sodium Citrate, 100 mM Tris, 7.5 mM 2-Ethylestradiol 3-O-sulfamate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.50 Å R-free 0.173
3OIM Human Carbonic anhydrase II bound by 2-Ethylestradiol 3-O-sulfamate Deposited 2010-08-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 VZ5 (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.4 M Sodium Citrate, 100 mM Tris, 7.5 mM 2-Ethylestradiol 3-O-sulfamate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.45 Å R-free 0.170
3OKU Human Carbonic Anhydrase II in complex with 2-Ethylestrone-3-O-sulfamate Deposited 2010-08-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 VZ4 (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；298 K；1.4 M Sodium citrate, 100mM Tris, 7.5 mM 2-Ethylestrone 3-O-sulfamate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.45 Å R-free 0.158
3OKV Human Carbonic Anhydrase II A65S, N67Q (CA IX mimic) bound with 2-Ethylestrone 3-O-sulfamate Deposited 2010-08-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67Q ZN ZINC ION × 1 VZ4 (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.4 M Sodium citrate, 100mM Tris, 7.5 mM 2-Ethylestrone 3-O-sulfamate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.45 Å R-free 0.147
3OY0 Human Carbonic Anhydrase II complexed with 1-(4-(4-(2-(ISOPROPYLSULFONYL)PHENYLAMINO)-1H-PYRROLO[2,3-B]PYRIDIN-6-YLAMINO)-3-METHOXYPHENYL)PIPERIDIN-4-OL Deposited 2010-09-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 OY0 (2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.6M Sodium Citrate, 50mM Tris-Cl, detergent (Tween20), pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.60 Å R-free 0.192
3OYQ Structure of Human Carbonic Anhydrase II complexed with 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE Deposited 2010-09-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 OYQ (4S)-4-methyl-N-(4-sulfamoylphenyl)hexanamide × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.6M Sodium Citrate, 50mM Tris-Cl, detergent (Tween 20), pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.47 Å R-free 0.182
3OYS Human Carbonic Anhydrase II complexed with 2-{[4-AMINO-3-(3-HYDROXYPROP-1-YN-1-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]METHYL}-5-METHYL-3-(2-METHYLPHENYL)QUINAZOLIN-4(3H)-ONE Deposited 2010-09-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 ZN ZINC ION × 1 OYS 2-phenyl-N-(4-sulfamoylphenyl)acetamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.6M Sodium Citrate, 50mM Tris-Cl, detergent (Tween 20), pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.54 Å R-free 0.174
3P3H Human carbonic anhydrase II in complex with p-(5-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide Deposited 2010-10-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 84A p-(5-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.5；289 K；2.6M ammonium sulfate, 0.1M glycine, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 1.50 Å R-free 0.201
3P3J Human carbonic anhydrase II in complex with p-(5-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide Deposited 2010-10-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded 498 p-(5-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide × 1 GOL GLYCEROL × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；289 K；2.9M ammonium sulfate, 0.1M MES/NaOH, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 1.60 Å R-free 0.203
3P44 Human carbonic anhydrase II in complex with p-(4-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide Deposited 2010-10-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded 067 p-(4-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide × 1 GOL GLYCEROL × 2 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；289 K；2.9M ammonium sulfate, 0.1M MES/NaOH, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 2.20 Å R-free 0.233
3P4V Human carbonic anhydrase II in complex with (+)-Xylariamide A Deposited 2010-10-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 PMX 3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.5；289 K；3.2M (NH4)2SO4, 0.1M Glycine, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 2.00 Å R-free 0.205
3P55 Human carbonic anhydrase II in complex with p-(4-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide Deposited 2010-10-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded 670 p-(4-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide × 1 GOL GLYCEROL × 2 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；289 K；2.9M ammonium sulfate, 0.1M MES/NaOH, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 2.00 Å R-free 0.223
3P58 Human Carbonic Anhydrase in complex with Benzyl (Methyl) Carbamodithoic Acid Deposited 2010-10-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 P58 benzyl(methyl)carbamodithioic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.6M Sodium Citrate. 50mM Tris-Cl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.49 Å R-free 0.171
3P5A Human Carbonic Anhydrase complexed with Sodium morpholinocarbodithioate Deposited 2010-10-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 IT2 morpholine-4-carbodithioic acid × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.6M Sodium Citrate, 50 mM Tris-Cl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.49 Å R-free 0.169
3P5L Human Carbonic Anhydrase complexed with sodium 4-cyano-4-phenylpiperidine-1-carbodithioate Deposited 2010-10-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 IT5 4-cyano-4-phenylpiperidine-1-carbodithioic acid × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.6M Sodium Citrate, 50mM Tris-Cl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.50 Å R-free 0.190
3PJJ Synthetic Dimer of Human Carbonic Anhydrase II Deposited 2010-11-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Mutation：K133C, C206S ZN ZINC ION × 1 MZH 1,1'-(oxydimethanediyl)dipyrrolidine-2,5-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；1.4 M ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.283
3PO6 Crystal structure of human carbonic anhydrase II with 6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide Deposited 2010-11-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 DT9 (1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide × 1 RDT (1R)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide × 1 GOL GLYCEROL × 4 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；291 K；0.1M Tris-Cl, 2.5M ammonium sulfate, 0.3M sodium chloride, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.47 Å R-free 0.175
3PYK Human Carbonic Anhydrase II as Host for Pianostool Complexes Bearing a Sulfonamide Anchor Deposited 2010-12-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：S2A ZN ZINC ION × 1 SRX chloro{N-[di(pyridin-2-yl-kappaN)methyl]-4-sulfamoylbenzamide}[(1,2,3,4,5,6-eta)-(1R,2R,3R,4S,5S,6S)-1,2,3,4,5,6-hexamethylcyclohexane-1,2,3,4,5,6-hexayl]ruthenium(2+) × 1 MMC METHYL MERCURY ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；3 uL protein solution (20 mg/mL lyophilized hCAII in 50 mM Tris-sulfate, 1 mM methyl mercuric acetate) and 5 uL precipitating buffer (2.6 M ammonium sulfate, 50 mM Tris-sulfate were mixed and equilibrated against 500 uL precipitating buffer. Single crystals were transferred into a cross-linking buffer, which was prepared from 10 uL precipitating buffer and 5 uL glutaraldehyde solution (0.8 % glutaraldehyde, 4 M ammonium sulfate, 50 mM Tris-sulfate) and equilibrated for 18 h. Cross-linked crystals were transferred into soaking buffer (9 uL precipitating buffer, 0.5 uL 60 mM {(6-benzene)Ru(bispy 3)Cl}+ in DMSO) and equilibrated for 54 h, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.30 Å R-free 0.165
3QYK Human Carbonic Anhydrase II complexed with triple ring benzene sulfonamide inhibitor Deposited 2011-03-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 IE2 4-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4H)-yl)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M sodium citrate, 50 mM Tris-Cl, drug dissolved in DMSO, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.47 Å R-free 0.178
3R16 Human CAII bound to N-(4-sulfamoylphenyl)-2-(thiophen-2-yl) acetamide Deposited 2011-03-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 2 5UN N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；1.6M sodium citrate, tris buffer, pH 7.8, VAPOR DIFFUSION, HANGING DROP
Resolution 1.60 Å R-free 0.173
3R17 hCarbonic anhydrase II bound to N-(2-fluoro.4-sulfamoylphenyl)-2-(thiophen-2-yl) acetamide Deposited 2011-03-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 4–260（257 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 2 5UM N-(2-fluoro-4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.6M Sodium Citrate, tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.194
3RG3 Crystal structure of the W5E mutant of human carbonic anhydrase II Deposited 2011-04-07 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：W5E ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.2-1.4 M sodium citrate, 100 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.90 Å R-free 0.170
3RG4 Crystal structure of the W5F mutant of human carbonic anhydrase II Deposited 2011-04-07 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：W5F ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.2-1.4 M sodium citrate, 100 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.50 Å R-free 0.166
3RGE Crystal structure of the W5H mutant of human carbonic anhydrase II Deposited 2011-04-08 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：W5H ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.2-1.4 M sodium citrate, 100 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.10 Å R-free 0.188
3RJ7 Human carbonic anhydrase II complexed with its inhibitor rhenium(I)triscarbonyl-cyclopentadienyl-carboxy-4-aminomethylbenzene-sulfonamide Deposited 2011-04-15 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 RCS triscarbonyl-cyclopentadienyl-carboxy-4-aminomethylbenzene-sulfonamide rhenium(I) × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；2.4 M ammonium sulfate, 0.1 M Tris-HCl, pH 8.0, 1 mM 4-hydroxymercuribenzoic acid, 5% v/v DMSO, 4 weeks at 298K, 2 weeks at 277K, 4 weeks again at 298K, VAPOR DIFFUSION, HANGING DROP
Resolution 1.20 Å R-free 0.190
3RLD Crystal structure of the Y7I mutant of human carbonic anhydrase II Deposited 2011-04-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：Y7I ZN ZINC ION × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.7 M sodium citrate, 100 mM Tris, droplet is 1:1 mixture of the protein and reservoir, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.50 Å R-free 0.211
3RYJ Carbonic Anhydrase complexed with 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide Deposited 2011-05-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–260（259 aa）
Not recorded ZN ZINC ION × 1 RYJ 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；100 mM Tris-Cl, 1.14 M sodium citrate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.39 Å R-free 0.170
3RYV Carbonic Anhydrase complexed with N-ethyl-4-sulfamoylbenzamide Deposited 2011-05-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–260（259 aa）
Not recorded ZN ZINC ION × 1 RYV N-ethyl-4-sulfamoylbenzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；100 mM Tris-Cl, 1.15 M sodium citrate, pH 7.8, vapor diffusion, temperature 277K
Resolution 1.20 Å R-free 0.168
3RYX Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase Deposited 2011-05-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–260（259 aa）
Not recorded ZN ZINC ION × 1 RYX N-(2,2,3,3,3-pentafluoropropyl)-4-sulfamoylbenzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；100 mM Tris-Cl, 1.15 M sodium citrate, pH 7.8, vapor diffusion, temperature 277K
Resolution 1.60 Å R-free 0.240
3RYY Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase Deposited 2011-05-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 RYY N-propyl-4-sulfamoylbenzamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；100 mM Tris-Cl, 1.15 M sodium citrate, pH 7.8, vapor diffusion, temperature 277K
Resolution 1.16 Å R-free 0.152
3RYZ Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase Deposited 2011-05-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 RYZ N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；100 mM Tris-Cl, 1.15 M sodium citrate, pH 7.8, vapor diffusion, temperature 277K
Resolution 1.37 Å R-free 0.183
3RZ0 Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase Deposited 2011-05-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–260（259 aa）
Not recorded ZN ZINC ION × 1 RZ0 N-butyl-4-sulfamoylbenzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；100 mM Tris-Cl, 1.15 M sodium citrate, pH 7.8, vapor diffusion, temperature 277K
Resolution 1.80 Å R-free 0.206
3RZ1 Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase Deposited 2011-05-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–260（259 aa）
Not recorded ZN ZINC ION × 1 RZ1 N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；100 mM Tris-Cl, 1.15 M sodium citrate, pH 7.8, vapor diffusion, temperature 277K
Resolution 1.51 Å R-free 0.176
3RZ5 Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase Deposited 2011-05-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 RZ5 N-pentyl-4-sulfamoylbenzamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；100 mM Tris-Cl, 1.15 M sodium citrate, pH 7.8, vapor diffusion, temperature 277K
Resolution 1.65 Å R-free 0.202
3RZ7 Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase Deposited 2011-05-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 RZ7 4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；100 mM Tris-Cl, 1.15 M sodium citrate, pH 7.8, vapor diffusion, temperature 277K
Resolution 1.80 Å R-free 0.200
3RZ8 Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase Deposited 2011-05-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 RZ8 N-hexyl-4-sulfamoylbenzamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；100 mM Tris-Cl, 1.15 M sodium citrate, pH 7.8, vapor diffusion, temperature 277K
Resolution 1.70 Å R-free 0.186
3S71 The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase Deposited 2011-05-26 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–260（258 aa）
Not recorded ZN ZINC ION × 1 EVD 1-benzofuran-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；100 mM Tris-Cl, 1.15 M sodium citrate, pH 7.8, vapor diffusion, temperature 277K, VAPOR DIFFUSION
Resolution 1.25 Å R-free 0.181
3S72 The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase Deposited 2011-05-26 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–260（258 aa）
Not recorded ZN ZINC ION × 1 EVE 1H-benzimidazole-2-sulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；100 mM Tris-Cl, 1.15 M sodium citrate, pH 7.8, vapor diffusion, temperature 277K, VAPOR DIFFUSION
Resolution 1.60 Å R-free 0.199
3S73 The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase Deposited 2011-05-26 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–260（258 aa）
Not recorded ZN ZINC ION × 1 EVF 1,3-benzothiazole-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；100 mM Tris-Cl, 1.15 M sodium citrate, pH 7.8, vapor diffusion, temperature 277K, VAPOR DIFFUSION
Resolution 1.75 Å R-free 0.228
3S74 The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase Deposited 2011-05-26 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–260（258 aa）
Not recorded ZN ZINC ION × 1 03T 1-benzothiophene-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；100 mM Tris-Cl, 1.15 M sodium citrate, pH 7.8, vapor diffusion, temperature 277K
Resolution 1.40 Å R-free 0.203
3S75 The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase Deposited 2011-05-26 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–260（258 aa）
Not recorded ZN ZINC ION × 1 EVG furan-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；100 mM Tris-Cl, 1.15 M sodium citrate, pH 7.8, vapor diffusion, temperature 277K, VAPOR DIFFUSION
Resolution 1.50 Å R-free 0.191
3S76 The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase Deposited 2011-05-26 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 EVH 1H-imidazole-2-sulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；100 mM Tris-Cl, 1.15 M sodium citrate, pH 7.8, vapor diffusion, temperature 277K, VAPOR DIFFUSION
Resolution 1.60 Å R-free 0.193
3S77 The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase Deposited 2011-05-26 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–260（258 aa）
Not recorded ZN ZINC ION × 1 EVI 1,3-thiazole-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；100 mM Tris-Cl, 1.15 M sodium citrate, pH 7.8, vapor diffusion, temperature 277K, VAPOR DIFFUSION
Resolution 1.86 Å R-free 0.219
3S78 The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase Deposited 2011-05-26 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–260（258 aa）
Not recorded ZN ZINC ION × 1 EVJ thiophene-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；100 mM Tris-Cl; 1.15 M sodium citrate, pH 7.8, vapor diffusion, temperature 277K
Resolution 1.98 Å R-free 0.226
3S8X Crystal structure of human carbonic anhydrase isozyme II with 4-{[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide Deposited 2011-05-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 BCN BICINE × 1 E59 4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 9；298 K；Na-Bicine 0.1M pH 9, Na-Malonate 2.2M pH 7, VAPOR DIFFUSION, temperature 298K
Resolution 1.30 Å R-free 0.179
3S9T Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide Deposited 2011-06-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 BCN BICINE × 1 E49 2-chloro-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；298 K；2.4M Na-Malonate, pH 7, VAPOR DIFFUSION, temperature 298K
Resolution 1.30 Å R-free 0.192
3SAP Crystal structure of human carbonic anhydrase isozyme II with 4-{[(5-butyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide Deposited 2011-06-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 BCN BICINE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 DMS DIMETHYL SULFOXIDE × 1 E2I 4-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；2.3M Na-bicine pH 9, 2.3M Na-malonate pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 1.75 Å R-free 0.229
3SAX Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-{[(5-ethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide Deposited 2011-06-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 E50 2-chloro-5-{[(5-ethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide × 1 BCN BICINE × 1 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；298 K；0.1M Na-bicine pH 9, 2.6M Na-malonate pH 7.55, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 1.10 Å R-free 0.158
3SBH Crystal structure of human carbonic anhydrase isozyme II with 4-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide Deposited 2011-06-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 BCN BICINE × 1 DMS DIMETHYL SULFOXIDE × 2 E65 4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；298 K；0.1M Na-bicine pH 9, 2M Na-malonate pH 7.55, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 1.65 Å R-free 0.228
3SBI Crystal structure of human carbonic anhydrase isozyme II with 4-[(2-pyrimidinylsulfanyl)acetyl]benzenesulfonamide Deposited 2011-06-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 BCN BICINE × 1 E90 4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 9；293 K；0.1M Na-bicine pH 9, 2M Na-malonate pH 7.55, VAPOR DIFFUSION, temperature 293K
Resolution 1.40 Å R-free 0.183
3T5U Crystal structure of the human carbonic anhydrase II in complex with N-hydroxy benzenesulfonamide Deposited 2011-07-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 A09 N-hydroxybenzenesulfonamide × 4 GOL GLYCEROL × 1 MBO MERCURIBENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；2.6 M ammonium sulfate, 0.3 M sodium chloride, 0.1 M Tris-HCl, pH 8.5, 5 mM 4-hydroxymercurybenzoate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.75 Å R-free 0.183
3T5Z Crystal structure of the human carbonic anhydrase II in complex with N-methoxy-benzenesulfonamide Deposited 2011-07-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 B09 N-methoxybenzenesulfonamide × 1 MBO MERCURIBENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；2.6 M ammonium sulfate, 0.3 M sodium chloride, 0.1 M Tris-HCl, pH 8.5, 5 mM 4-hydroxymercurybenzoate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.65 Å R-free 0.211
3T82 Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates Deposited 2011-08-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 SG4 3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.5；289 K；2.9M (NH4)2SO4, 0.1M Glycine, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 2.00 Å R-free 0.198
3T83 Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates Deposited 2011-08-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 SG5 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-alpha-D-glucopyranose × 1 MG5 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；289 K；2.9M (NH4)2SO4, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 1.80 Å R-free 0.207
3T84 Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates Deposited 2011-08-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 SG6 4-O-acetyl-6-O-sulfamoyl-alpha-D-galactopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.5；289 K；2.9M (NH4)2SO4, 0.1M Glycine, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 2.00 Å R-free 0.206
3T85 Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates Deposited 2011-08-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 SG7 3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-mannopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.5；289 K；2.9M (NH4)2SO4, 0.1M Glycine, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 2.40 Å R-free 0.232
3TMJ Joint X-ray/neutron structure of human carbonic anhydrase II at pH 7.8 Deposited 2011-08-31 Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 Experimental method not declared
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；293 K；1.3 M sodium citrate, 100 mM Tris, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.00 Å R-free 0.294
3TVN Human Carbonic Anhydrase II Proton Transfer Mutant Deposited 2011-09-20 Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 3–260（258 aa）
Mutation：N67Q ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.25 M sodium citrate, 100 mM Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.50 Å R-free 0.211
3TVO Human Carbonic Anhydrase II Proton Transfer Double Mutant Deposited 2011-09-20 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 3–260（258 aa）
Mutation：Y7F/N67Q ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.25 M sodium citrate, 100 mM Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.60 Å R-free 0.205
3U3A structure of Human Carbonic Anhydrase II V143I Deposited 2011-10-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 1–260（260 aa）
Mutation：V142I ZN ZINC ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.4 M Sodium Citrate 50 mM Tris pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.55 Å R-free 0.191
3U45 Human Carbonic Anhydrase II V143A Deposited 2011-10-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 1–260（260 aa）
Mutation：V143A ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.4 M Sodium Citrate 50 mM Tris pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.191
3U47 Human Carbonic Anhydrase II V143L Deposited 2011-10-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：V143L ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.4 M Sodium Citrate, 50 mM Tris pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.60 Å R-free 0.211
3U7C crystal structure of the V143I mutant of human carbonic anhydrase II Deposited 2011-10-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：V142I ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 2 BCT BICARBONATE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.4 M citrate, 50 mM tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 0.93 Å R-free 0.131
3V2J Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II Deposited 2011-12-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 AZM 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M Na-Citrate, 50mM Tris-Cl as precipitant solution. DMSO to dissolve AZM. 10 uL drops of CA II-AZM in 50% precipitant solution, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.167
3V2M Effect of Sucrose and Glycerol as Cryoprotectans, on the Inhibition of Human Carbonic Anhydrase II Deposited 2011-12-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 AZM 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M Na-Citrate, 50mM Tris-Cl as precipitant solution. DMSO to dissolve AZM. 10 uL drops of CA II-AZM in 50% precipitant solution, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.47 Å R-free 0.192
3V3F Kinetic and structural studies of thermostabilized mutants of HCA II. Deposited 2011-12-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：L100H, L224S, L240P ZN ZINC ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；30% w/v PEG 4000, 0.2M magnesium chloride hexahydrate, 0.1M TRIS hydrochloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.256
3V3G Kinetic and structural studies of thermostabilized mutants of HCA II. Deposited 2011-12-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–260（260 aa）
Mutation：L100H, L224S, L240P, Y7F ZN ZINC ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；30% w/v PEG 4000, 0.2M magnesium chloride hexahydrate, 0.1M TRIS hydrochloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.56 Å R-free 0.200
3V3H Kinetic and structural studies of thermostabilized mutants of HCA II. Deposited 2011-12-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–260（260 aa）
Mutation：L100H, L224S, L240P, Y7F, N62L ZN ZINC ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；30% w/v PEG 4000 0.2M Magnesium chloride hexahydrate 0.1M TRIS hydrochloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.85 Å R-free 0.224
3V3I Kinetic and structural studies of thermostabilized mutants of HCA II. Deposited 2011-12-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–260（260 aa）
Mutation：L100H, L224S, L240P, Y7F, N67Q ZN ZINC ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；30% w/v PEG 4000 0.2M Magnesium chloride 0.1M TRIS hydrochloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.73 Å R-free 0.253
3V3J Kinetic and structural studies of thermostabilized mutants of HCA II. Deposited 2011-12-13 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：L100H, L224S, L240P, Y7F,N62L, N67Q ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；30% w/v PEG 4000, 0.2M magnesium chloride hexahydrate, 0.1M TRIS hydrochloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.63 Å R-free 0.219
3V5G Crystal structure of human carbonic anhydrase II in complex with the 4-sulfamido-benzenesulfonamide inhibitor Deposited 2011-12-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 0F3 4-(sulfamoylamino)benzenesulfonamide × 3 HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.4；293 K；2.6M Ammonium Sulphate, 0.3M Sodium Chloride, 0.1M Tris-HCl pH 8.4, 5mM mercury para-hydroxybenzoate, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 1.50 Å R-free 0.212
3V7X Complex of human carbonic anhydrase II with N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide Deposited 2011-12-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 D7A N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide × 1 GOL GLYCEROL × 5 MBO MERCURIBENZOIC ACID × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；3 M ammonium sulfate, 50 mM Tris-HCl, 2 mM 4-(Hydroxymercuri)benzoate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.03 Å R-free 0.148
3VBD Complex of human carbonic anhydrase II with 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide Deposited 2012-01-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 0FZ 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide × 1 MBO MERCURIBENZOIC ACID × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；3 M ammonium sulfate, 50 mM Tris-HCl, 2 mM 4-(Hydroxymercuri)benzoate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.05 Å R-free 0.160
3ZP9 Human Carbonic Anhydrase II as a Scaffold for an Artificial Transfer Hydrogenase Deposited 2013-02-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded 9TH pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride × 1 MBO MERCURIBENZOIC ACID × 1 GOL GLYCEROL × 2 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.9；293 K；2.1 M AMSO4, 50 MM TRIS-SO4, 0.2 MM 4-CHLOROMERCURIBENZOIC ACID, 4 MG/ML PROTEIN, PH 7.9, 293 K
Resolution 1.31 Å R-free 0.193
4BCW Carbonic anhydrase IX mimic in complex with (E)-2-(5-bromo-2- hydroxyphenyl)ethenesulfonic acid Deposited 2012-10-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa） Fragment：RESIDUES 4-260
Mutation：YES ZN ZINC ION × 1 TU0 (E)-2-(5-BROMO-2-HYDROXYPHENYL)ETHENESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；3M AMMONIUM SULPHATE, 100 MM TRIS-HCL PH 8.0
Resolution 1.50 Å R-free 0.219
4BF1 Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide Deposited 2013-03-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 9FK 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；294 K；1,5 M SODIUM CITRATE 80 MM TRIS- HCL, PH 9.0, PROTEIN 10,8 MG/ML 5-10 MM INHIBITOR (STOCK SOLUTION WAS 100 MM INHIBITOR DISSOLVED IN 100% DIMETHYL SULFOXIDE) VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K, TIME 2-5 DAYS
Resolution 1.35 Å R-free 0.181
4BF6 Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-(3-Cyanophenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide Deposited 2013-03-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 X0Q 5-[1-(3-cyanophenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；294 K；3,2 M (NH4)2SO4 100 MM TRIS- HCL, PH 8.0, PROTEIN 10.8 MG/ML, 5-10 MM INHIBITOR (STOCK SOLUTION WAS 100 MM INHIBITOR DISSOLVED IN 100% DIMETHYL SULFOXIDE), VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K, TIME 7-14 DAYS
Resolution 1.82 Å R-free 0.202
4CA2 ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II Deposited 1991-06-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å
4CAC REFINED STRUCTURE OF HUMAN CARBONIC ANHYDRASE II AT 2.0 ANGSTROMS RESOLUTION Deposited 1991-09-05 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.20 Å
4CQ0 Cyclic secondary sulfonamides: unusually good inhibitors of cancer- related carbonic anhydrase enzymes Deposited 2014-02-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 FMT FORMIC ACID × 1 SXS 6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；293 K；THE PROTEIN WAS AT 14 MG/ML. THE RESERVOIR WAS 2.9 M AMMONIUM SULFATE, 100 MM TRIS PH 8.5. THE DROPS WERE 210 NL PROTEIN PLUS 110 NL RESERVOIR PLUS 40 NL COMPOUND. THE CRYSTALS GREW AT 20C.
Resolution 1.45 Å R-free 0.191
4DZ7 hCA II in complex with novel sulfonamide inhibitors Set D Deposited 2012-02-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 D02 methyl 1-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)-1H-1,2,3-triazole-4-carboxylate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M Na-Citrate and 50 mM Tris-Cl at pH 7.8 used as precipitant solution. DMSO was used to dissolve the inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.49 Å R-free 0.178
4DZ9 hCA II in complex with novel sulfonamide inhibitors Set D Deposited 2012-02-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 ID4 4-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M Na-Citrate and 50 mM Tris-Cl at pH 7.8 used as precipitant solution. DMSO was used to dissolve the inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.49 Å R-free 0.187
4E3D Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors Deposited 2012-03-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 GTQ 2,5-dihydroxybenzoic acid × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；3M Ammonium Sulfate, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.60 Å R-free 0.211
4E3F Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors Deposited 2012-03-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 GRE 2,6-DIHYDROXYBENZOIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；3M ammonium sulfate, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.50 Å R-free 0.204
4E3G Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors Deposited 2012-03-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 PHB P-HYDROXYBENZOIC ACID × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；3M ammonium sulfate, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.55 Å R-free 0.228
4E3H Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors Deposited 2012-03-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 HQE benzene-1,4-diol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；3M ammonium sulfate, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.50 Å R-free 0.212
4E49 Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors Deposited 2012-03-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 RCO RESORCINOL × 4 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；3M ammonium sulfate, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.45 Å R-free 0.185
4E4A Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors Deposited 2012-03-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 JKE 2-sulfanylbenzoic acid × 1 MBO MERCURIBENZOIC ACID × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；3M ammonium sulfate, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.45 Å R-free 0.221
4E5Q Human Carbonic Anhydrase II in complex with cyanate Deposited 2012-03-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 0NM cyanic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M sodium citrate, 50 mM TRIS Chloride, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.201
4FIK Human carbonic anhydrase II H64A complexed with thioxolone hydrolysis products Deposited 2012-06-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：H64A ZN ZINC ION × 1 TH7 2,4-dihydroxybenzenesulfenic acid × 1 TH0 4-MERCAPTOBENZENE-1,3-DIOL × 2 D2S 4,4'-disulfanediyldibenzene-1,3-diol × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；50MM TRIS-HCL, 2.6M AMMONIUM SULFATE, 2UL OF 100UM THIOXOLONE ADDED TO DROP 24HRS PRIOR TO FREEZING, PH 8.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K
Resolution 1.20 Å R-free 0.137
4FL7 The crystal structure of human carbonic anhydrase II in complex with N-(Hydroxy)-benzamide Deposited 2012-06-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 2 BHO BENZHYDROXAMIC ACID × 1 MBO MERCURIBENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.6；293 K；2.4 M ammonium sulfate, 0.3 M sodium chloride, 0.1 M Tris-HCl, pH 8.6, 5 mM 4-(hydroxymercurybenzoate), VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.85 Å R-free 0.203
4FPT Carbonic Anhydrase II in complex with ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate Deposited 2012-06-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded MBO MERCURIBENZOIC ACID × 1 ZN ZINC ION × 1 0VZ ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；291 K；2.75 M (NH4)2SO4, 0.3 M NaCl, 0.15 mM p-chloromercurybenzoic acid 0.1 M Tris-HCl, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 0.98 Å R-free 0.158
4FRC Carbonic Anhydrase II in complex with N'-sulfamoylpyrrolidine-1-carboximidamide Deposited 2012-06-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded MBO MERCURIBENZOIC ACID × 1 ZN ZINC ION × 1 0VY N'-sulfamoylpyrrolidine-1-carboximidamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；291 K；2.75 M (NH4)2SO4, 0.3 M NaCl, 0.15 mM p-chloromercurybenzoic acid 0.1 M Tris-HCl , pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 0.98 Å R-free 0.139
4FU5 Carbonic Anhydrase II in complex with N-[(2Z)-1,3-oxazolidin-2-ylidene]sulfuric diamide Deposited 2012-06-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded MBO MERCURIBENZOIC ACID × 1 ZN ZINC ION × 1 0VX N-[(2Z)-1,3-oxazolidin-2-ylidene]sulfuric diamide × 1 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；291 K；2.75 M AMMONIUMSULFATE, 0.15 mM P-CHLOROMERCURIBENZOIC ACID, 0.1 M TRIS, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 0.98 Å R-free 0.150
4FVN Carbonic Anhydrase II in complex with N-(tetrahydropyrimidin-2(1H)-ylidene)sulfuric diamide Deposited 2012-06-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded MBO MERCURIBENZOIC ACID × 1 ZN ZINC ION × 1 0VW N-(tetrahydropyrimidin-2(1H)-ylidene)sulfuric diamide × 1 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；291 K；2.75 M AMMONIUMSULFATE, 0.15 mM P-CHLOROMERCURIBENZOIC ACID, 0.1 M TRIS-HCl, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.05 Å R-free 0.165
4FVO Carbonic Anhydrase II in complex with N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide Deposited 2012-06-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded MBO MERCURIBENZOIC ACID × 1 ZN ZINC ION × 1 0VV N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide × 2 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；291 K；2.75 M AMMONIUMSULFATE, 0.15 mM P-CHLOROMERCURIBENZOIC ACID, 0.1 M TRIS-HCl, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.05 Å R-free 0.170
4G0C Neutron structure of acetazolamide-bound human carbonic anhydrase II reveal molecular details of drug binding. Deposited 2012-07-09 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa） Fragment：HCA II
Not recorded ZN ZINC ION × 1 AZM 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE × 1 NEUTRON DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；1.3 M sodium citrate, 100 mM Tris, 1mM acetazolamide dissolved in DMSO (final), pH 9, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.00 Å R-free 0.283
4GL1 Structure of H64A/N62L/N67L Human Carbonic Anhydrase II triple mutant Deposited 2012-08-13 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 1–260（260 aa）
Mutation：H64A/N62L/N67L ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.0 to 1.3 Sodium Citrate and 50 to 100 mM Tris Buffer pH 7-9, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.50 Å R-free 0.194
4HBA Structural and Catalytic Characterization of a Thermal and Acid Stable Variant of Human Carbonic Anhydrase II Containing an Engineered Disulfide Bond Deposited 2012-09-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A23C, L203C, C206S ZN ZINC ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；1.3M sodium citrate, 50mM Tris-HCl, pH 9.0, VAPOR DIFFUSION, HANGING DROP
Resolution 1.76 Å R-free 0.189
4HEW Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure Deposited 2012-10-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：H64A ZN ZINC ION × 1 2MZ 2-METHYLIMIDAZOLE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；Drops of 10 uL (0.3 mM protein; 100 mM small imidazole; 0.8 M sodium citrate; 50 mM Tris-HCl; pH 8.0) were equilibrated against the precipitant solution (1.6 M sodium citrate; 50 mM Tris-HCl; pH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.206
4HEY Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure Deposited 2012-10-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：H64A ZN ZINC ION × 1 4MZ 4-METHYLIMIDAZOLE × 9 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；Drops of 10 uL (0.3 mM protein; 100 mM small imidazole; 0.8 M sodium citrate; 50 mM Tris-HCl; pH 8.0) were equilibrated against the precipitant solution (1.6 M sodium citrate; 50 mM Tris-HCl; pH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.45 Å R-free 0.184
4HEZ Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure Deposited 2012-10-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 1MZ 1-METHYLIMIDAZOLE × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；Drops of 10 uL (0.3 mM protein; 100 mM small imidazole; 0.8 M sodium citrate; 50 mM Tris-HCl; pH 8.0) were equilibrated against the precipitant solution (1.6 M sodium citrate; 50 mM Tris-HCl; pH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.34 Å R-free 0.170
4HF3 Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure Deposited 2012-10-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：H64A ZN ZINC ION × 1 IMD IMIDAZOLE × 9 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；Drops of 10 uL (0.3 mM protein; 100 mM small imidazole; 0.8 M sodium citrate; 50 mM Tris-HCl; pH 8.0) were equilibrated against the precipitant solution (1.6 M sodium citrate; 50 mM Tris-HCl; pH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.15 Å R-free 0.172
4HT0 Crystal structure of human carbonic anhydrase isozyme II with the inhibitor. Deposited 2012-10-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：human carbonic anhydrase II
Not recorded ZN ZINC ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 DMS DIMETHYL SULFOXIDE × 1 V50 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.60 Å R-free 0.210
4IDR Human Carbonic Anhydrase II Proton Transfer Double Mutant Deposited 2012-12-13 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 3–260（258 aa）
Mutation：Y7F, N67Q ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.25 M sodium citrate, 100 mM Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.60 Å R-free 0.205
4ILX Structure of human carbonic anhydrase II in complex with an adamantyl sulfonamide inhibitor Deposited 2013-01-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 2 1EZ N-(4-sulfamoylphenyl)-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.6M sodium citrate tris buffer pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.60 Å R-free 0.185
4ITO Human CA II inhibition by novel sulfonamide Deposited 2013-01-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 MPX 4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；0.8 M Na-citrate and 50 mM Tris-Cl in the drop mixed with 250 uM protein, calibrated against 1.6 M Na-citrate, 50 mM Tris-Cl pH 8.0 in the well, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.16 Å R-free 0.151
4ITP Structure of human carbonic anhydrase II bound to a benzene sulfonamide Deposited 2013-01-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded GOL GLYCEROL × 5 ZN ZINC ION × 1 1GD 2-phenyl-N-(4-sulfamoylbenzyl)acetamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；1.6M citrate, Tris pH 8.0, VAPOR DIFFUSION, HANGING DROP
Resolution 1.70 Å R-free 0.191
4IWZ structure of hCAII in complex with an acetazolamide derivative Deposited 2013-01-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa） Fragment：h carbonic anhydrase II
Not recorded 1GO N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide × 1 ZN ZINC ION × 1 GOL GLYCEROL × 3 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；1.8M sodium citrate, 50mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP
Resolution 1.60 Å R-free 0.185
4JS6 Crystal structure of inhibitor-free hCAII H94D Deposited 2013-03-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：H94D ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；3.0 M Ammonium Sulfate, 50 mM HEPES, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.55 Å R-free 0.222
4JSA Benzenesulfonamide complexed with hCAII H94D Deposited 2013-03-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：H94D ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 FB2 benzenesulfonamide × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；3.0 M Ammonium Sulfate, 50 mM HEPES, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.50 Å R-free 0.217
4JSS Human carbonic anhydrase II H94D bound to a bidentate inhibitor Deposited 2013-03-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：H94D ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 BEW 1-hydroxy-2-sulfanylpyridinium × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；3.0 M ammonium sulfate, 50 mM HEPES, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.50 Å R-free 0.226
4JSW Human carbonic anhydrase II H94C Deposited 2013-03-22 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：H94C ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；3.0 M ammonium sulfate, 50 mM HEPES, 1 mM DTT, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.90 Å R-free 0.282
4JSZ Benzenesulfonamide bound to hCAII H94C Deposited 2013-03-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：H94C ZN ZINC ION × 1 FB2 benzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；3.0 M ammonium sulfate, 50 mM HEPES, 1 mM DTT, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.90 Å R-free 0.230
4K0S Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with acetazolamide Deposited 2013-04-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, F131L, K170E ZN ZINC ION × 1 AZM 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.7 M sodium citrate, 50 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.80 Å R-free 0.213
4K0T Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with chlorzolamide Deposited 2013-04-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, F131L, K170E ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 D9Z 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.6 M sodium citrate, 50 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.78 Å R-free 0.197
4K0Z Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with methazolamide Deposited 2013-04-04 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Mutation：A65S, N67Q, E69T, F131L, K170E ZN ZINC ION × 2 DMS DIMETHYL SULFOXIDE × 5 MZM N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.6 M sodium citrate, 50 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.80 Å R-free 0.188
4K13 Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with dorzolamide Deposited 2013-04-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, F131L, K170E ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 ETS (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.6 M sodium citrate, 50 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.60 Å R-free 0.195
4K1Q Structure of hCAIX mimic (hCAII with 5 mutations in active site) Deposited 2013-04-05 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Mutation：A65S, N67Q, E69T, F131L, K170E ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.6 M sodium citrate, 50 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.228
4KAP The Binding of Benzoarylsulfonamide Ligands to Human Carbonic Anhydrase is Insensitive to Formal Fluorination of the Ligand Deposited 2013-04-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 5–260（256 aa） Fragment：UNP residues 5-260
Not recorded ZN ZINC ION × 1 1QV 4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；100 MM TRIS-CL, 1.15 M SODIUM CITRATE, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.45 Å R-free 0.222
4KNI Crystal structure of human carbonic anhydrase isozyme II with 2-Chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide Deposited 2013-05-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 E1E 2-chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1M sodium BICINE pH 9, 0.2M ammonium sulfate, 2M sodium malonate pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.80 Å R-free 0.225
4KNJ Crystal structure of human carbonic anhydrase isozyme II with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide Deposited 2013-05-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 E1F 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；2.2M sodium malonate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.00 Å R-free 0.228
4KUV Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(4-chlorophenylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor Deposited 2013-05-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 5–260（256 aa）
Not recorded ZN ZINC ION × 1 MB6 5-({[(4-chlorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide × 1 GOL GLYCEROL × 1 BME BETA-MERCAPTOETHANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；296 K；1.5 M sodium citrate, Tris 50 mM, pH 8.0, VAPOR DIFFUSION, temperature 296K
Resolution 1.35 Å R-free 0.170
4KUW Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(4-fluorophenylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor Deposited 2013-05-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 BME BETA-MERCAPTOETHANOL × 1 MB2 5-({[(4-fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；296 K；1.5 M sodium citrate, Tris 50mM , pH 8.0, VAPOR DIFFUSION, temperature 296K
Resolution 1.55 Å R-free 0.186
4KUY Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(o-tolylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor Deposited 2013-05-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 BME BETA-MERCAPTOETHANOL × 1 GOL GLYCEROL × 1 MB4 5-({[(2-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；296 K；1.5 M sodium citrate, Tris 50 mM, pH 8.0, vapor diffusion, temperature 296K
Resolution 1.65 Å R-free 0.189
4KV0 Crystal structure of human carbonic anhydrase II in complex with the 5-(3-tosylureido)pyridine-2-sulfonamide inhibitor Deposited 2013-05-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 BME BETA-MERCAPTOETHANOL × 1 MB7 5-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；296 K；1.5 M sodium citrate, Tris 50 mM, pH 8.0, vapor diffusion, temperature 296K
Resolution 1.55 Å R-free 0.179
4L5U The structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II Deposited 2013-06-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：F226I ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；298 K；1.4M sodium citrate, 50 mM Tris, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.05 Å R-free 0.201
4L5V The structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II Deposited 2013-06-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：F226L ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；298 K；1.4M sodium citrate, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.63 Å R-free 0.153
4L5W Structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II Deposited 2013-06-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：F226W, N255Q ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；298 K；1.4 M sodium citrate, 50 mM Tris, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.70 Å R-free 0.181
4LHI Crystal structure of human carbonic anhydrase isozyme II with 5-(phenylsulfonyl)thiophene-2-sulfonamide Deposited 2013-07-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 WWL 5-(phenylsulfonyl)thiophene-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；0.1M sodium BICINE (pH 9), 2M sodium malonate (pH 7), VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.60 Å R-free 0.225
4LP6 Crystal Structure of Human Carbonic Anhydrase II in complex with a quinoline oligoamide foldamer Deposited 2013-07-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded Q4I 8-({[4-(3-aminopropoxy)-8-({[4-hydroxy-8-({[4-(2-methylpropoxy)-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)-4-(carboxymethoxy)quinoline-2-carboxylic acid × 1 ZN ZINC ION × 9 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.15；293 K；ZnAc, NaCac, PEG 8000, NaN3, pH 7.15, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.15 Å R-free 0.253
4LP6 Crystal Structure of Human Carbonic Anhydrase II in complex with a quinoline oligoamide foldamer Deposited 2013-07-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–260（260 aa）
Not recorded Q4I 8-({[4-(3-aminopropoxy)-8-({[4-hydroxy-8-({[4-(2-methylpropoxy)-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)-4-(carboxymethoxy)quinoline-2-carboxylic acid × 1 ZN ZINC ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.15；293 K；ZnAc, NaCac, PEG 8000, NaN3, pH 7.15, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.15 Å R-free 0.253
4LP6 Crystal Structure of Human Carbonic Anhydrase II in complex with a quinoline oligoamide foldamer Deposited 2013-07-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–260（260 aa）
Chain B 1–260（260 aa）
Not recorded Q4I 8-({[4-(3-aminopropoxy)-8-({[4-hydroxy-8-({[4-(2-methylpropoxy)-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)-4-(carboxymethoxy)quinoline-2-carboxylic acid × 2 ZN ZINC ION × 13 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.15；293 K；ZnAc, NaCac, PEG 8000, NaN3, pH 7.15, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.15 Å R-free 0.253
4M2R Human Carbonic Anhydrase II in complex with Brinzolamide Deposited 2013-08-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 BZ1 (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；Drops were prepared by mixing 7 uL of the final concentrated protein (~10 mg/mL) and 3uL of precipitant solution against 1 mL of precipitant solution. The precipitant solution conditions varied, and consisted of 50 mM Tris-HCl (pH 7.5) and 1.6 M sodium citrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.99 Å R-free 0.216
4M2U Carbonic Anhydrase II in complex with Dorzolamide Deposited 2013-08-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 ETS (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；Drops were prepared by mixing 7 uL of the final concentrated protein (~10 mg/mL) and 3 uL of precipitant solution against 1mL of precipitant solution. The precipitant solution conditions varied, and consisted of 50 mM Tris-HCl (pH 7.5) and 1.4M sodium citrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.162
4M2V Genetically engineered Carbonic Anhydrase IX in complex with Brinzolamide Deposited 2013-08-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：K9A, A65S, N67Q, E69T, I91L, F130V, K169E, L203A ZN ZINC ION × 1 BZ1 (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；Drops were prepared by mixing 7 uL of the final concentrated protein (~10 mg/mL) and 3 uL of precipitant solution against 1 mL of precipitant solution. The precipitant solution conditions varied, and consisted of 50 mM Tris-HCl (pH 7.5) and 1.6 M sodium citrate., VAPOR DIFFUSION, HANGING DROP
Resolution 1.72 Å R-free 0.160
4M2W Genetically engineered Carbonic Anhydrase IX in complex with Dorzolamide Deposited 2013-08-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F130V, K169E, L203A ZN ZINC ION × 1 ETS (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；Drops were prepared by mixing 7 uL of the final concentrated protein (~10 mg/mL) and 3 uL of precipitant solution against 1 mL of precipitant solution. The precipitant solution conditions varied, and consisted of 50 mM Tris-HCl (pH 7.5) and 1.6 M sodium citrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.66 Å R-free 0.152
4MDG Closo Carborane Carbonic Anhydrase Inhibitor Deposited 2013-08-22 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 25X 1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.35 Å R-free 0.179
4MDL Meta Carborane Carbonic Anhydrase Inhibitor Deposited 2013-08-23 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 25Y 1-(sulfamoylamino)methyl-1,7-dicarba-closo-dodecaborane × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.52 Å R-free 0.184
4MDM Nido-Carborane Carbonic Anhydrase Inhibitor Deposited 2013-08-23 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 26E 7-(sulfamoylamino)methyl-7,8-dicarba-nido-undecaborane × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.55 Å R-free 0.201
4MLT Structure of a monodentate 3-hydroxy-4H-pyran-4-thione ligand bound to hCAII Deposited 2013-09-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 TM4 3-hydroxy-2-methyl-4H-pyran-4-thione × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；50 mM Tris, 3.0 M Ammonium Sulfate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.00 Å R-free 0.241
4MLX Structure of a bidentate 3-hydroxy-4H-pyran-4-thione ligand bound to hCAII Deposited 2013-09-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 TM7 5-hydroxy-2-methyl-4H-pyran-4-thione × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；50 mM Tris, 3.0 M ammonium sulfate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.65 Å R-free 0.200
4MO8 The crystal structure of the human carbonic anhydrase II in complex with N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfamide Deposited 2013-09-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 2VQ N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.4 M sodium citrate, 100 mM Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.85 Å R-free 0.196
4MTY Structure at 1A resolution of a helical aromatic foldamer-protein complex. Deposited 2013-09-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 SBW N-(3-hydroxybenzyl)-4-sulfamoylbenzamide × 3 HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 GOL GLYCEROL × 4 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.15 mM HCA2, 50 mM TRIS pH 8.5, 150 mM NaCl, 2mM 4-(hydroxymercury)benzoate, 2.7 M (NH4)2SO4, 3 mM NaN3, 0.75 mM benzamide N-(3-hydroxybenzyl)-4-sulfamoyl., VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.00 Å R-free 0.123
4N0X Room temperature crystal structure of human carbonic anhydrase II in complex with thiophene-2-sulfonamide Deposited 2013-10-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–260（260 aa）
Not recorded ZN ZINC ION × 1 EVJ thiophene-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；1.2 M sodium citrate, 100 mM Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.63 Å R-free 0.174
4N16 Structure of cholate bound to human carbonic anhydrase II Deposited 2013-10-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CHD CHOLIC ACID × 1 GOL GLYCEROL × 5 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；1.6M Citric Acid, 50mM Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP
Resolution 1.54 Å R-free 0.171
4PQ7 The crystal structure of the human carbonic anhydrase ii in complex with a sulfamide inhibitor Deposited 2014-02-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 IL3 1-but-2-ynoxy-4-[(sulfamoylamino)methyl]benzene × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.4M Na-Citrate, 0.1M Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.85 Å R-free 0.196
4PXX Crystal structure of a highly thermal stabilized variant of Human Carbonic Anhydrase II Deposited 2014-03-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A23C, L100H, L203C, C206S, L224S, L240P ZN ZINC ION × 1 CHD CHOLIC ACID × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；0.2M MgCl2, 0.1M Tris-HCl, 30% (w/v) PEG 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.85 Å R-free 0.229
4PYX Crystal structure of human carbonic anhydrase isozyme II with inhibitor Deposited 2014-03-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 V90 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.80 Å R-free 0.230
4PYY Crystal structure of human carbonic anhydrase isozyme II with inhibitor Deposited 2014-03-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 V14 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.75 Å R-free 0.200
4PZH Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide Deposited 2014-03-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 BCN BICINE × 1 V13 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.06 Å R-free 0.162
4Q06 Crystal structure of chimeric carbonic anhydrase IX with inhibitor Deposited 2014-04-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67Q, I91L, F130V, V134L, L203A ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 BCN BICINE × 1 V90 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.15 Å R-free 0.168
4Q07 Crystal structure of chimeric carbonic anhydrase IX with inhibitor Deposited 2014-04-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67Q, I91L, F130V, V134L, L203A ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 V14 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide × 1 BCN BICINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.15 Å R-free 0.158
4Q08 Crystal structure of chimeric carbonic anhydrase XII with inhibitor Deposited 2014-04-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67K, I91T, F130A, V134S, L203N ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 BCN BICINE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 V90 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.07 Å R-free 0.156
4Q09 Crystal structure of chimeric carbonic anhydrase XII with inhibitor Deposited 2014-04-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67K, I91T, F130A, V134S, L203N ZN ZINC ION × 1 V14 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.20 Å R-free 0.178
4Q49 Room temperature neutron crystal structure of apo human carbonic anhydrase at pH 7.5 Deposited 2014-04-14 Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 NEUTRON DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；1.20 M sodium citrate 100 mM Tris, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.80 Å R-free 0.215
4Q6D Crystal structure of human carbonic anhydrase isozyme II with 4-[(Z)-azepan-1-yldiazenyl]benzenesulfonamide Deposited 2014-04-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 BCN BICINE × 1 WW3 4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.12 Å R-free 0.154
4Q6E Crystal structure of human carbonic anhydrase isozyme II with 4-{[3-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzene-1-sulfonamide Deposited 2014-04-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 BCN BICINE × 1 DMS DIMETHYL SULFOXIDE × 2 KR5 4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.12 Å R-free 0.158
4Q78 Structure-assisted design of carborane-based inhibitors of carbonic anhydrase Deposited 2014-04-24 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 25X 1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane × 1 MBO MERCURIBENZOIC ACID × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.00 Å R-free 0.201
4Q7P Crystal Structure of 1-hydroxy-3-methylpyridine-2(1H)-thione bound to hCAII Deposited 2014-04-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 3MH 1-hydroxy-3-methylpyridine-2(1H)-thione × 1 MBO MERCURIBENZOIC ACID × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；291 K；Ammonium Sulfate, pH 8.0, VAPOR DIFFUSION, temperature 291K
Resolution 1.65 Å R-free 0.209
4Q7S Crystal Structure of 1-hydroxy-4-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II Deposited 2014-04-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 2YU 1-hydroxy-4-methylpyridine-2(1H)-thione × 1 MBO MERCURIBENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；291 K；Ammonium Sulfate, pH 8.0, VAPOR DIFFUSION, temperature 291K
Resolution 1.80 Å R-free 0.226
4Q7V Crystal structure of 1-hydroxy-5-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II Deposited 2014-04-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 5MH 1-hydroxy-5-methylpyridine-2(1H)-thione × 1 MBO MERCURIBENZOIC ACID × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；291 K；Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, temperature 291K
Resolution 1.60 Å R-free 0.212
4Q7W Crystal structure of 1-hydroxy-6-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II Deposited 2014-04-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 6MH 1-hydroxy-6-methylpyridine-2(1H)-thione × 1 MBO MERCURIBENZOIC ACID × 1 DMS DIMETHYL SULFOXIDE × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；291 K；Ammonium Sulfate, pH 8.0, VAPOR DIFFUSION, temperature 291K
Resolution 1.45 Å R-free 0.211
4Q81 Crystal structure of 1-hydroxy-4,6-dimethylpyridine-2(1H)-thione bound to human carbonic anhydrase II Deposited 2014-04-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 7MH 1-hydroxy-4,6-dimethylpyridine-2(1H)-thione × 1 MBO MERCURIBENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；291 K；Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, temperature 291K
Resolution 1.55 Å R-free 0.200
4Q83 Crystal structure of 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II Deposited 2014-04-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 3FH 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione × 1 MBO MERCURIBENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；291 K；Ammonium Sulfate, pH 8.0, VAPOR DIFFUSION, temperature 291K
Resolution 1.55 Å R-free 0.199
4Q87 Crystal structure of 1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II Deposited 2014-04-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 4FH 1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；291 K；Ammonium Sulfate, pH 8.0, VAPOR DIFFUSION, temperature 291K
Resolution 1.55 Å R-free 0.206
4Q8X Crystal structure of 1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II Deposited 2014-04-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 DMS DIMETHYL SULFOXIDE × 1 7FH 1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；291 K；Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, temperature 291K
Resolution 1.55 Å R-free 0.201
4Q8Y Crystal structure of 2-hydroxyisoquinoline-1(2H)-thione bound to human carbonic anhydrase II Deposited 2014-04-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 HQT 2-hydroxyisoquinoline-1(2H)-thione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；291 K；Ammonium Sulfate, pH 8.0, VAPOR DIFFUSION, temperature 291K
Resolution 1.45 Å R-free 0.195
4Q8Z Crystal structure of 1-hydroxy-4-methylpyridin-2(1H)-one bound to human carbonic anhydrase II Deposited 2014-04-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 4HO 1-hydroxy-4-methylpyridin-2(1H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；291 K；Ammonium Sulfate, pH 8.0, VAPOR DIFFUSION, temperature 291K
Resolution 1.50 Å R-free 0.177
4Q90 Crystal structure of 4-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II Deposited 2014-04-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 4H2 4-methylpyridine-2(1H)-thione × 1 MBO MERCURIBENZOIC ACID × 1 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；291 K；Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, temperature 291K
Resolution 1.54 Å R-free 0.204
4Q99 Crystal structure of 2-mercapto-4-methylphenol bound to human carbonic anhydrase II Deposited 2014-04-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HT4 4-methyl-2-sulfanylphenol × 1 MBO MERCURIBENZOIC ACID × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；291 K；Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, temperature 291K
Resolution 1.50 Å R-free 0.192
4Q9Y Crystal structure of 3-methylthiophenol bound to human carbonic anhydrase II Deposited 2014-05-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 M3T 3-methylbenzenethiol × 1 MBO MERCURIBENZOIC ACID × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；291 K；Ammonium Sulfate, pH 8.0, VAPOR DIFFUSION, temperature 291K
Resolution 1.55 Å R-free 0.197
4QEF Human Carbonic Anhydrase II V207I - cyanate inhibitor complex Deposited 2014-05-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：V207I ZN ZINC ION × 1 0NM cyanic acid × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.3 M Sodium Citrate, 50 mM Tris pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.47 Å R-free 0.158
4QIY Crystal structure of human carbonic anhydrase isozyme II with inhibitor Deposited 2014-06-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 WWX 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 BCN BICINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1M sodium BICINE, pH 9, 0.2M ammonium sulfate, 2M sodium malonate pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.30 Å R-free 0.192
4QIY Crystal structure of human carbonic anhydrase isozyme II with inhibitor Deposited 2014-06-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–260（260 aa）
Not recorded ZN ZINC ION × 1 WWX 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 BCN BICINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1M sodium BICINE, pH 9, 0.2M ammonium sulfate, 2M sodium malonate pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.30 Å R-free 0.192
4QIY Crystal structure of human carbonic anhydrase isozyme II with inhibitor Deposited 2014-06-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–260（260 aa）
Not recorded ZN ZINC ION × 1 WWX 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 BCN BICINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1M sodium BICINE, pH 9, 0.2M ammonium sulfate, 2M sodium malonate pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.30 Å R-free 0.192
4QIY Crystal structure of human carbonic anhydrase isozyme II with inhibitor Deposited 2014-06-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–260（260 aa）
Not recorded ZN ZINC ION × 1 WWX 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 BCN BICINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1M sodium BICINE, pH 9, 0.2M ammonium sulfate, 2M sodium malonate pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.30 Å R-free 0.192
4QJM Crystal structure of human carbonic anhydrase isozyme II with inhibitor Deposited 2014-06-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 V1F 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide × 1 BCN BICINE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1M sodium BICINE pH 9, 0.2M ammonium sulfate, 2M sodium malonate pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.75 Å R-free 0.212
4QK1 Structural and Catalytic Effects of Proline Substitution and Surface Loop Deletion in the Extended Active Site of Human Carbonic Anhydrase II - K170P Deposited 2014-06-05 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：K170P ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.4 M sodium citrate, 50 mM sodium phosphate dibasic, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.60 Å R-free 0.218
4QK2 Structural and Catalytic Effects of Proline Substitution and Surface Loop Deletion in the Extended Active Site of Human Carbonic Anhydrase II - E234P Deposited 2014-06-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：E234P ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M sodium citrate, 100 mM Tris-HCl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.52 Å R-free 0.178
4QK3 Structural and Catalytic Effects of Proline Substitution and Surface Loop Deletion in the Extended Active Site of Human Carbonic Anhydrase II - [delta]230-240 Deposited 2014-06-05 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：UNP residues 228-238 deleted
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M sodium citrate, 100 mM Tris-HCl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.34 Å R-free 0.249
4QSA Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide Deposited 2014-07-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 EWW 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 DMS DIMETHYL SULFOXIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；2M sodium malonate pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.50 Å R-free 0.205
4QSB Crystal structure of human carbonic anhydrase isozyme II with 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide Deposited 2014-07-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 EWY 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；2.2M sodium malonate pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.40 Å R-free 0.220
4QSI Crystal structure of human carbonic anhydrase isozyme II with 5-{[(4-tert-buthyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}-2-chlorobenzenesulfonamide Deposited 2014-07-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 DMS DIMETHYL SULFOXIDE × 1 NA SODIUM ION × 1 EWZ 5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1M sodium BICINE, pH 9, 3.1M sodium malonate pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.95 Å R-free 0.209
4QTL Crystal structure of human carbonic anhydrase isozyme II with inhibitor Deposited 2014-07-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 WWO 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1M sodium BICINE (pH 9), 0.2M ammonium sulfate, 2M sodium malonate, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.80 Å R-free 0.203
4QY3 THE CRYSTAL STRUCTURE OF THE COMPLEX of HCAII WITH AN ORTHO-SUBSTITUTED BENZOIC ACID Deposited 2014-07-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 3G1 2-[(S)-benzylsulfinyl]benzoic acid × 1 HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；293 K；2.5 M (NH4)2SO4, 0.3 M NaCl, 100 mM Tris-HCl (pH 8.2), VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 1.50 Å R-free 0.184
4R59 A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate Deposited 2014-08-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 GOL GLYCEROL × 1 3J3 (1R)-1,5-anhydro-1-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-D-galactitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M Sodium Citrate, 50mM Tris-HCl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.65 Å R-free 0.205
4R5A A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate Deposited 2014-08-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 GOL GLYCEROL × 1 3J4 (6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M Sodium Citrate, 50mM Tris-HCl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.64 Å R-free 0.185
4R5B Human Carbonic Anhydrase II in Complex with a Carbohydrate-Based Sulfamate Deposited 2014-08-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 3J4 (6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.8；298 K；1.6 M Sodium Citrate, 50mM Tris-HCl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.50 Å R-free 0.186
4RFC Human carbonic anhydrase II in complex with tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate Deposited 2014-09-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 3O1 tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50 mM Tris-HCL pH 7.8, 0.24 mM (final concentration) tert-butyl 6-(4-sulfamoylphenoxy)hexylcarbamate, Vapor diffusion, hanging drop, temperature 298K
Resolution 1.65 Å R-free 0.260
4RFD Human carbonic anhydrase II in complex with 4-(4-sulfamoyl-phenoxy)-butylammonium Deposited 2014-09-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 3O5 4-(4-sulfamoyl-phenoxy)-butylammonium × 2 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；50 mM Tris-HCL pH 7.8, 0.24 mM (final concentration) 6-(4-sulfamoyl-phenoxy)-hexyl-ammonium trifluoroacetate salt, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.63 Å R-free 0.206
4RH2 Crystal structure of human carbonic anhydrase II in complex with 2-(6-hydroxy-3-Oxo-3H-xanthen-9-yl)-5-{3-1-(4-sulfamoyl-phenyl)-1h-[1,2,3]triazol-4-ylmethyl-thioureido}-benzoic acid Deposited 2014-10-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 FC9 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；296 K；1.6 M sodium citrate, Tris 50 mM, pH 8.0, VAPOR DIFFUSION, temperature 296K
Resolution 1.30 Å R-free 0.171
4RIU A Carbonic Anhydrase IX Mimic in Complex with a Saccharin-Based Inhibitor Deposited 2014-10-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 GOL GLYCEROL × 3 3QR [1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl alpha-L-idopyranoside × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M Sodium Citrate, 50mM Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.65 Å R-free 0.176
4RIV A Carbonic Anhydrase IX Mimic in Complex with Saccharin Deposited 2014-10-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 LSA 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M sodium citrate, 50 mM Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.63 Å R-free 0.190
4RN4 Human Carbonic anhydrases II in complex with a acetazolamide derivative comprising one hydrophobic and one hydrophilic tail moiety Deposited 2014-10-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 FMT FORMIC ACID × 1 3T7 2-({[1-(beta-D-glucopyranosyl)-1H-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazole × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；2.9 M ammonium sulfate with 0.1 M Tris buffer, Protein at 14 mg/mL, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.53 Å R-free 0.199
4RUX Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzenesulfonamide Deposited 2014-11-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 3W3 4-(allyloxy)benzenesulfonamide × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M sodium citrate, 50 mM Tris-HCl, 3mM 4-(allyloxy)benzenesulfonamide, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.14 Å R-free 0.162
4RUY Crystal structure of human Carbonic Anhydrase II in complex with 4-propoxybenzenesulfonamide Deposited 2014-11-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 3W6 4-propoxybenzenesulfonamide × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M sodium citrate, 50 mM Tris-HCl, 3mM 4-propoxybenzenesulfonamide, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.14 Å R-free 0.216
4RUZ Crystal structure of human Carbonic Anhydrase II in complex with 4-ethoxybenzenesulfonamide Deposited 2014-11-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 3W8 4-ethoxybenzenesulfonamide × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M sodium citrate, 50 mM Tris-HCl, 3mM 4-Ethoxybenzenesulfonamide, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.63 Å R-free 0.192
4WL4 Crystal structure of human carbonic anhydrase II in complex with the 6-hydroxy-chromene-2-thione inhibitor Deposited 2014-10-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 FC5 6-hydroxy-2H-chromene-2-thione × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.6 M sodium citrate, Tris 50 mM
Resolution 1.10 Å R-free 0.130
4WW6 Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide Deposited 2014-11-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 MLA MALONIC ACID × 1 BCN BICINE × 1 3TV 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.25 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.06 Å R-free 0.151
4XE1 Human carbonic anhydrase II in complex with 6-SULFAMOYL-SACCHARIN Deposited 2014-12-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 2 HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 IL5 3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；AMMONIUM SULPHATE 2.6M, TRIS-HCL 0.1M, SODIUM CHLORIDE 0.3M, 4-HYDROXYMERCURYBENZOATE
Resolution 1.80 Å R-free 0.214
4Y0J H/D exchanged human carbonic anhydrase II pH 6 room temperature neutron crystal structure. Deposited 2015-02-06 Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa） Fragment：UNP residues 3-260
Not recorded ZN ZINC ION × 1 NEUTRON DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；Large drops 500 microliters in 9-well glass plate in sandwich box set-up. Crystals took 3 months to grow to maximal size.
Resolution 2.00 Å R-free 0.291
4YGJ NaBr--Interactions between Hofmeister Anions and the Binding Pocket of a Protein Deposited 2015-02-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa） Fragment：UNP residues 3-260
Not recorded ZN ZINC ION × 1 BR BROMIDE ION × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；100 mM Tris-Cl, 1.15 M sodium citrate, pH 7.8
Resolution 1.10 Å R-free 0.147
4YGK NaSCN--Interactions between Hofmeister Anions and the Binding Pocket of a Protein Deposited 2015-02-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa） Fragment：UNP residues 3-260
Not recorded ZN ZINC ION × 1 SCN THIOCYANATE ION × 1 OH HYDROXIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；100 mM Tris-Cl, 1.15 M sodium citrate, pH 7.8
Resolution 1.50 Å R-free 0.213
4YGL NaClO4--Interactions between Hofmeister Anions and the Binding Pocket of a Protein Deposited 2015-02-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa） Fragment：UNP residues 3-260
Not recorded ZN ZINC ION × 1 OH HYDROXIDE ION × 1 LCP PERCHLORATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；100 mM Tris-Cl, 1.15 M sodium citrate, pH 7.8
Resolution 1.51 Å R-free 0.213
4YGN NaI--Interactions between Hofmeister Anions and the Binding Pocket of a Protein Deposited 2015-02-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa） Fragment：UNP residues 3-260
Not recorded ZN ZINC ION × 1 IOD IODIDE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；277 K；100 mM Tris-Cl, 1.15 M sodium citrate, pH 7.8
Resolution 1.23 Å R-free 0.209
4YVY Crystal structure of human carbonic anhydrase II in complex with hydroxylamine-O-sulfonamide, a molecule incorporating two zinc-binding groups. Deposited 2015-03-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 4J3 amino(aminooxy)sulfane dioxide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；1.3 M sodium citrate and 0.1 M Tris-HCl, pH 8.5
Resolution 1.45 Å R-free 0.192
4YWP Sucrose Binding Site in genetically engineered Carbonic anhydrase IX Deposited 2015-03-20 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M sodium citrate, 50 mM Tris-HCL pH 7.4
Resolution 1.45 Å R-free 0.190
4YX4 Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (1). Deposited 2015-03-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 FB2 benzenesulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；2.5 uL of the protein solution (10 mg/ml hCAII in 50 mM Tris pH 7.8) were mixed with 2.5 uL of the well solution (2.7 M (NH4)SO4, 100 mM Tris, pH 7.8, saturated with p-chloromercurybenzoicacid) and placed as a hanging drop. Crystals appeared after several days. The crystals were soaked in 3.0 M (NH4)SO4, 100 mM Tris, pH 7.8, saturated with the inhibitor, for 1 day.
Resolution 1.01 Å R-free 0.170
4YXI Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (2). Deposited 2015-03-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 4J8 4-methylbenzenesulfonamide × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；2.5 uL of the protein solution (10 mg/ml hCAII in 50 mM Tris pH 7.8) were mixed with 2.5 uL of the well solution (2.7 M (NH4)SO4, 100 mM Tris, pH 7.8, saturated with p-chloromercurybenzoicacid) and placed as a hanging drop. Crystals appeared after several days. The crystals were soaked in 3.0 M (NH4)SO4, 100 mM Tris, pH 7.8, saturated with the inhibitor, for 1 day.
Resolution 0.96 Å R-free 0.153
4YXO Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (3). Deposited 2015-03-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded MBO MERCURIBENZOIC ACID × 1 ZN ZINC ION × 1 GOL GLYCEROL × 1 4JC 4-ethylbenzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；2.5 uL of the protein solution (10 mg/ml hCAII in 50 mM Tris pH 7.8) were mixed with 2.5 uL of the well solution (2.7 M (NH4)SO4, 100 mM Tris, pH 7.8, saturated with p-chloromercurybenzoicacid) and placed as a hanging drop. Crystals appeared after several days. The crystals were soaked in 3.0 M (NH4)SO4, 100 mM Tris, pH 7.8, saturated with the inhibitor, for 1 day.
Resolution 1.06 Å R-free 0.164
4YXU Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (4). Deposited 2015-03-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 GOL GLYCEROL × 1 4JE 4-propylbenzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；2.5 uL of the protein solution (10 mg/ml hCAII in 50 mM Tris pH 7.8) were mixed with 2.5 uL of the well solution (2.7 M (NH4)SO4, 100 mM Tris, pH 7.8, saturated with p-chloromercurybenzoicacid) and placed as a hanging drop. Crystals appeared after several days. The crystals were soaked in 3.0 M (NH4)SO4, 100 mM Tris, pH 7.8, saturated with the inhibitor, for 1 day.
Resolution 1.08 Å R-free 0.163
4YYT Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (5). Deposited 2015-03-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded MBO MERCURIBENZOIC ACID × 1 GOL GLYCEROL × 1 S2O 4-(2-hydroxyethyl)benzenesulfonamide × 4 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；2.5 uL of the protein solution (10 mg/ml hCAII in 50 mM Tris pH 7.8) were mixed with 2.5 uL of the well solution (2.7 M (NH4)SO4, 100 mM Tris, pH 7.8, saturated with p-chloromercurybenzoicacid) and placed as a hanging drop. Crystals appeared after several days. The crystals were soaked in 3.0 M (NH4)SO4, 100 mM Tris, pH 7.8, saturated with the inhibitor, for 1 day.
Resolution 1.07 Å R-free 0.166
4Z0Q Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) Deposited 2015-03-26 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 4K9 4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；50mM Tris-HCl, 1,6 M Sodium Citrate
Resolution 1.45 Å R-free 0.191
4Z1E Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) Deposited 2015-03-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 DF5 6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；50mM Tris-HCl, 1,6 M Sodium Citrate
Resolution 2.01 Å R-free 0.244
4Z1J Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) Deposited 2015-03-27 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 4KC 4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；50mM Tris-HCl, 1,6 M Sodium Citrate
Resolution 1.27 Å R-free 0.170
4Z1K Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) Deposited 2015-03-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 4KB 4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；50mM Tris-HCl, 1,6 M Sodium Citrate
Resolution 1.35 Å R-free 0.170
4Z1N Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) Deposited 2015-03-27 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 4KD 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；50mM Tris-HCl, 1,6 M Sodium Citrate
Resolution 1.47 Å R-free 0.214
4ZAO Genetically engineered Carbonic anhydrase IX Deposited 2015-04-13 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–257（257 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；10 mg/ml in 50 mM Tris-HCl at ph 7.8
Resolution 1.80 Å R-free 0.205
4ZWI Surface Lysine Acetylated Human Carbonic Anhydrase II in Complex with a Sulfamate-Based Inhibitor Deposited 2015-05-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 7 62I (6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM Tris-HCl, pH 7.8
Resolution 1.60 Å R-free 0.225
4ZWX Engineered Carbonic Anhydrase IX mimic in complex with glucosyl sulfamate inhibitor Deposited 2015-05-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa） Fragment：UNP residues 4-260
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 5KZ (1S)-2,3,4,6-tetra-O-acetyl-1,5-anhydro-1-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-D-allitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM Tris-HCL, pH 7.8
Resolution 1.70 Å R-free 0.212
4ZWY Human Carbonic Anhydrase II in complex with a glucosyl sulfamate inhibitor Deposited 2015-05-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa） Fragment：UNP residues 4-260
Not recorded ZN ZINC ION × 1 4SN (6S)-1,3,4,5-tetra-O-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-L-altritol × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM Tris-HCl pH 7.8
Resolution 1.50 Å R-free 0.173
4ZWZ Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor Deposited 2015-05-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa） Fragment：UNP residues 4-260
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 510 methyl (2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carbox ylate × 1 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM Tris-HCl pH 7.8
Resolution 1.62 Å R-free 0.211
4ZX0 Human Carbonic Anhydrase II in complex with a glucosyl sulfamate inhibitor Deposited 2015-05-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa） Fragment：UNP residues 4-260
Not recorded ZN ZINC ION × 1 5L2 methyl (2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(acetyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carb oxylate × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM Tris-HCl
Resolution 1.60 Å R-free 0.178
4ZX1 Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor Deposited 2015-05-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa） Fragment：UNP residues 4-260
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 5L3 (6R)-5-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM Tris-HCl
Resolution 1.50 Å R-free 0.196
5A6H Synthesis, carbonic anhydrase inhibition and protein X-ray structure of the unusual natural product primary sulfonamide Psammaplin C Deposited 2015-06-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 OE2 PSAMMAPLIN C × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；281 K；EQUAL VOLUMES OF PROTEIN AND RESERVOIR (250 NL EACH) AT 8C WITH THE PROTEIN AT 7.5 MG/ML AND THE RESERVOIR BEING 2.6 M AMMONIUM SULFATE, 100 MM TRIS PH 8
Resolution 1.57 Å R-free 0.193
5AMD Three dimensional structure of human carbonic anhydrase II in complex with 2-((2-Phenylethyl)sulfamoyl)-4-sulfamoylbenzoic acid Deposited 2015-03-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 45I 2-[(2-PHENYLETHYL)SULFAMOYL]-4-SULFAMOYLBENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；294 K；1,54 M SODIUM CITRATE 60 MM TRIS- HCL, PH 9.0, PROTEIN 10 MG/ML 5-10 MM INHIBITOR (STOCK SOLUTION WAS 100 MM INHIBITOR DISSOLVED IN 100% DIMETHYL SULFOXIDE) VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K, TIME 2-5 DAYS
Resolution 1.50 Å R-free 0.198
5AMG Three dimensional structure of human carbonic anhydrase II in complex with 2-(Pentylsulfamoyl)-4-sulfamoylbenzoic acid Deposited 2015-03-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 IW7 2-(PENTYLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；294 K；1,54 M SODIUM CITRATE 60 MM TRIS- HCL, PH 9.0, PROTEIN 10 MG/ML 5-10 MM INHIBITOR (STOCK SOLUTION WAS 100 MM INHIBITOR DISSOLVED IN 100% DIMETHYL SULFOXIDE) VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K, TIME 2-5 DAYS
Resolution 1.55 Å R-free 0.211
5AML Three dimensional structure of human carbonic anhydrase II in complex with 2-(But-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid Deposited 2015-03-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 51J 2-(BUT-2-YN-1-YLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；294 K；1,54 M SODIUM CITRATE 60 MM TRIS- HCL, PH 9.0, PROTEIN 10 MG/ML 5-10 MM INHIBITOR (STOCK SOLUTION WAS 100 MM INHIBITOR DISSOLVED IN 100% DIMETHYL SULFOXIDE) VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K, TIME 2-5 DAYS
Resolution 1.36 Å R-free 0.161
5BNL Deciphering the Mechanism of Carbonic Anhydrase Inhibition with Coumarins and Thiocoumarins Deposited 2015-05-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 2HC (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；Tris.HCl pH 7.7-7.8 , sodium 4-(hydroxymercury)benzoate
Resolution 2.00 Å R-free 0.293
5BRU Catalytic Improvement of an Artificial Metalloenzyme by Computational Design Deposited 2015-06-01 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Mutation：L140M, L197M, C205S ZN ZINC ION × 1 8TH chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappaN]methyl}azanide-kappaN][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.9；298 K；2.6 M ammonium sulfate, 50 mM Tris-HCl
Resolution 1.60 Å R-free 0.194
5BRV Catalytic Improvement of an Artificial Metalloenzyme by Computational Design Deposited 2015-06-01 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Mutation：L140M, L197M, C205S ZN ZINC ION × 1 9TH pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.9；298 K；2.6 M ammonium sulfate, 50 mM Tris-HCl
Resolution 1.60 Å R-free 0.230
5BRW Catalytic Improvement of an Artificial Metalloenzyme by Computational Design Deposited 2015-06-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：L140M, L197M, C205S ZN ZINC ION × 1 SO4 SULFATE ION × 2 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.9；298 K；2.6 M ammonium sulfate, 50 mM Tris-HCl
Resolution 1.40 Å R-free 0.194
5BYI Human carbonic anhydrase II with an azobenzene inhibitor (1d) Deposited 2015-06-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 4WA 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide × 1 K POTASSIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；3 M Ammoniumsulfate, 50 mM Tris, 2mM PCMB
Resolution 1.15 Å R-free 0.187
5C8I Joint X-ray/neutron structure of Human Carbonic Anhydrase II in complex with Methazolamide Deposited 2015-06-25 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MZM N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide × 1 Experimental method not declared
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；1.6M Na-citrate, 50 mM Tris
Resolution not provided
5CA2 CONFORMATIONAL MOBILITY OF HIS-64 IN THE THR-200 (RIGHT ARROW) SER MUTANT OF HUMAN CARBONIC ANHYDRASE II Deposited 1991-06-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å
5CAC REFINED STRUCTURE OF HUMAN CARBONIC ANHYDRASE II AT 2.0 ANGSTROMS RESOLUTION Deposited 1991-09-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 SO3 SULFITE ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.20 Å
5CLU THE CRYSTAL STRUCTURE OF THE COMPLEX of HCAII WITH A SACCHARINE DERIVATIVE Deposited 2015-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa） Fragment：UNP residues 4-260
Not recorded ZN ZINC ION × 1 S8A (1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.5 M (NH4)2SO4, 0.3 M NaCl, 100 mM Tris-HCl (pH 8.2)
Resolution 1.55 Å R-free 0.186
5DOG Crystal structure of human carbonic anhydrase isozyme II with 2-(Benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)thio]benzene- sulfonamide Deposited 2015-09-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：human carbonic anhydrase II
Not recorded ZN ZINC ION × 1 BCN BICINE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 5DT 2-(benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)sulfanyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer: 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.70 Å R-free 0.214
5DOH Crystal structure of human carbonic anhydrase isozyme II with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide Deposited 2015-09-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：human carbonic anhydrase II
Not recorded ZN ZINC ION × 1 BCN BICINE × 1 DMS DIMETHYL SULFOXIDE × 1 5DU 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer: 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.05 Å R-free 0.172
5DOH Crystal structure of human carbonic anhydrase isozyme II with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide Deposited 2015-09-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–260（260 aa） Fragment：human carbonic anhydrase II
Not recorded ZN ZINC ION × 1 BCN BICINE × 1 DMS DIMETHYL SULFOXIDE × 1 5DU 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer: 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.05 Å R-free 0.172
5DRS Crystal structure of human carbonic anhydraseisozyme II with 3-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide Deposited 2015-09-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：human carbonic anhydrase II
Not recorded ZN ZINC ION × 1 BCN BICINE × 1 DMS DIMETHYL SULFOXIDE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 5EF 3-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer: 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.10 Å R-free 0.173
5DSK Structure of CO2 released holo-form of human carbonic anhydrase II with 3 min warming Deposited 2015-09-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M sodium citrate 100 mM TrisHCl pH 7.8
Resolution 1.30 Å R-free 0.144
5DSL Structure of CO2 released holo-form of human carbonic anhydrase II with 10 min warming Deposited 2015-09-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M sodium citrate 100 mM TrisHCl pH 7.8
Resolution 1.45 Å R-free 0.147
5DSM Structure of CO2 released holo-form of human carbonic anhydrase II with 25 min warming Deposited 2015-09-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M sodium citrate 100 mM TrisHCl pH 7.8
Resolution 1.30 Å R-free 0.140
5DSO Structure of CO2 bound apo-form of human carbonic anhydrase II with 0 sec (no) warming Deposited 2015-09-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 CO2 CARBON DIOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3M sodium citrate, 100mM TrisHCl pH 7.8
Resolution 1.40 Å R-free 0.159
5DSP Structure of CO2 released apo-form of human carbonic anhydrase II with 40 sec warming Deposited 2015-09-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M sodium citrate 100 mM TrisHCl pH 7.8
Resolution 1.40 Å R-free 0.157
5DSQ Structure of CO2 released apo-form of human carbonic anhydrase II with 3 min warming Deposited 2015-09-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M sodium citrate 100 mM TrisHCl pH 7.8
Resolution 1.50 Å R-free 0.151
5DSR Structure of CO2 released apo-form of human carbonic anhydrase II with 10 min warming Deposited 2015-09-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M sodium citrate 100 mM TrisHCl pH 7.8
Resolution 1.30 Å R-free 0.153
5E28 Crystal structure of human carbonic anhydrase II in complex with the 4-(4-aminophenyl)benzenesulfonamide inhibitor Deposited 2015-09-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa） Fragment：UNP residues 4-260
Not recorded ZN ZINC ION × 1 BC5 4'-aminobiphenyl-4-sulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；296 K；1.5 M sodium citrate, Tris 50 mM
Resolution 1.30 Å R-free 0.202
5E2K Crystal structure of human carbonic anhydrase II in complex with the 4-(3-aminophenyl)benzenesulfonamide inhibitor Deposited 2015-10-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa） Fragment：UNP residues 4-260
Not recorded ZN ZINC ION × 1 BX4 3'-aminobiphenyl-4-sulfonamide × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；296 K；1.5 M sodium citrate, Tris 50 mM
Resolution 1.40 Å R-free 0.193
5E2R The crystal structure of the human carbonic anhydrase II in complex with a 1,1'-biphenyl-4-sulfonamide inhibitor Deposited 2015-10-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 520 4'-(4-aminobenzoyl)biphenyl-4-sulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.6；293 K；Na-Citrate, Tris-HCl
Resolution 1.60 Å R-free 0.197
5E2S Crystal structure of human carbonic anhydrase II in complex with the 4-(2-iso-propylphenyl)benzenesulfonamide inhibitor Deposited 2015-10-01 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 5CX 2'-(propan-2-yl)biphenyl-4-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；296 K；1.5 M sodium citrate, Tris 50 mM
Resolution 1.50 Å R-free 0.196
5EH5 human carbonic anhydrase II in complex with ligand Deposited 2015-10-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 FMT FORMIC ACID × 1 XCZ 1.7.6 4-methylpyrimidine-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；280 K；ammonium sulfate, tris-chloride
Resolution 1.21 Å R-free 0.187
5EH7 human carbonic anhydrase II in complex with ligand Deposited 2015-10-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 FMT FORMIC ACID × 1 5O5 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；280 K；ammonium sulfate, tris chloride
Resolution 1.43 Å R-free 0.174
5EH8 human carbonic anhydrase II in complex with ligand Deposited 2015-10-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 FMT FORMIC ACID × 1 5O6 (~{E})-3-(4-methoxyphenyl)but-2-enoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；280 K；ammonium sulfate, tris chloride
Resolution 1.38 Å R-free 0.173
5EHE Crystal structure of human carbonic anhydrase isozyme II with 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide Deposited 2015-10-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：human carbonic anhydrase II
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 1 WWO 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；Crystallization buffer contains 0.1M sodium bicine (pH 9) and 2.6M sodium malonate (pH 7.5)
Resolution 1.50 Å R-free 0.211
5EHV human carbonic anhydrase II in complex with ligand Deposited 2015-10-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded 5ON (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid × 1 ZN ZINC ION × 1 FMT FORMIC ACID × 1 GOL GLYCEROL × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；280 K；ammonium sulfate, tris-chloride
Resolution 1.21 Å R-free 0.175
5EHW human carbonic anhydrase II in complex with ligand Deposited 2015-10-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 FMT FORMIC ACID × 1 5OO (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid × 1 ZN ZINC ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；280 K；ammonium sulfate, tris-chloride
Resolution 1.39 Å R-free 0.169
5EIJ Carbonic Anhydrase II in complex with Sulfonamide Inhibitor Deposited 2015-10-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 5OT 1-(3-iodanylphenyl)-3-(4-sulfamoylphenyl)thiourea × 1 DMS DIMETHYL SULFOXIDE × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；1.6M sodium citrate, 50mM Tris
Resolution 1.99 Å R-free 0.219
5EKH Human Carbonic Anhydrase II complexed with a two-faced guest Deposited 2015-11-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：S2A ZN ZINC ION × 1 GOL GLYCEROL × 1 5RD 4-(butylaminomethyl)benzenesulfonamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；50 mM Tris, pH 7.0, 1.3 M sodium citrate
Resolution 1.34 Å R-free 0.162
5EKJ Human Carbonic Anhydrase II complexed with a two-faced guest Deposited 2015-11-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：S2A ZN ZINC ION × 1 GOL GLYCEROL × 1 TG4 2-(butylamino)-~{N}-[2-(4-sulfamoylphenyl)ethyl]ethanamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；50 mM Tris, pH 7.0, 1.3 M sodium citrate
Resolution 1.13 Å R-free 0.150
5EKM Human Carbonic Anhydrase II complexed with a two-faced guest Deposited 2015-11-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：S2A ZN ZINC ION × 1 NA SODIUM ION × 1 GOL GLYCEROL × 1 TG5 2-(butylamino)-~{N}-(4-sulfamoylphenyl)ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；294 K；50 mM Tris, pH 7.0, 1.3 M sodium citrate
Resolution 1.33 Å R-free 0.167
5EOI Crystal structure of copper bound human Carbonic anhydrase II Deposited 2015-11-10 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 CU COPPER (II) ION × 1 OXY OXYGEN MOLECULE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；2.4 M ammonium sulphate, Tris 50 mM, HgCl2 2mM
Resolution 1.80 Å R-free 0.206
5FDC Crystal structure of Human Carbonic Anhydrase II in complex with the anticonvulsant sulfamide JNJ-26990990 and its S,S-dioxide analog. Deposited 2015-12-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 5WN 3-[(sulfamoylamino)methyl]-1-benzothiophene × 1 GOL GLYCEROL × 1 HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.5 M ammonium sulphate, 0.3 M sodium chloride, 0.1 M Tris-HCl, pH 8.4 and 5 mM 4-(hydroxymercurybenzoate)
Resolution 1.75 Å R-free 0.204
5FDI Crystal structure of Human Carbonic Anhydrase II with the anticonvulsant sulfamide JNJ-26990990 and its S,S-dioxide analog. Deposited 2015-12-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 5WM 1,1-bis(oxidanylidene)-3-[(sulfamoylamino)methyl]-1-benzothiophene × 1 GOL GLYCEROL × 1 HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.5 M ammonium sulphate, 0.3 M sodium chloride, 0.1 M Tris-HCl, pH 8.4 and 5 mM 4-(hydroxymercurybenzoate)
Resolution 1.85 Å R-free 0.193
5FLO Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination Deposited 2015-10-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 J4K 5-[(4-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；15 MG/ML PROTEIN WITH 2.7 M AMMONIUM SULFATE, 100 MM TRIS PH 8.5 AT 8 C IN SITTING DROPS.
Resolution 1.66 Å R-free 0.215
5FLP Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination Deposited 2015-10-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 6J5 5-[(2-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；15 MG/ML PROTEIN WITH 2.7 M AMMONIUM SULFATE, 100 MM TRIS PH 8.5 AT 8 C IN SITTING DROPS.
Resolution 1.71 Å R-free 0.192
5FLQ Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination Deposited 2015-10-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 IO2 2-(4-phenylmethoxyphenyl)ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；15 MG/ML PROTEIN WITH 2.7 M AMMONIUM SULFATE, 100 MM TRIS PH 8.5 AT 8 C IN SITTING DROPS.
Resolution 1.70 Å R-free 0.215
5FLR Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination Deposited 2015-10-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 NA SODIUM ION × 1 GOL GLYCEROL × 1 XCZ 1.7.6 4-methylpyrimidine-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；15 MG/ML PROTEIN WITH 2.7 M AMMONIUM SULFATE, 100 MM TRIS PH 8.5 AT 8 C IN SITTING DROPS.
Resolution 1.68 Å R-free 0.205
5FLS Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination Deposited 2015-10-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 6ZX (E)-3-(4-chlorophenyl)but-2-enoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；15 MG/ML PROTEIN WITH 2.7 M AMMONIUM SULFATE, 100 MM TRIS PH 8.5 AT 8 C IN SITTING DROPS.
Resolution 1.67 Å R-free 0.226
5FLT Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination Deposited 2015-10-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 VJJ 3-phenoxybenzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；15 MG/ML PROTEIN WITH 2.7 M AMMONIUM SULFATE, 100 MM TRIS PH 8.5 AT 8 C IN SITTING DROPS.
Resolution 1.67 Å R-free 0.202
5FNG Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination Deposited 2015-11-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 YIE 5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；15 MG/ML PROTEIN WITH 2.7 M AMMONIUM SULFATE, 100 MM TRIS PH 8.5 AT 8 C IN SITTING DROPS.
Resolution 2.05 Å R-free 0.229
5FNH Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination Deposited 2015-11-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 1 YIP 5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；15 MG/ML PROTEIN WITH 2.7 M AMMONIUM SULFATE, 100 MM TRIS PH 8.5 AT 8 C IN SITTING DROPS.
Resolution 1.66 Å R-free 0.180
5FNI Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination Deposited 2015-11-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 YIH 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；15 MG/ML PROTEIN WITH 2.7 M AMMONIUM SULFATE, 100 MM TRIS PH 8.5 AT 8 C IN SITTING DROPS.
Resolution 1.60 Å R-free 0.193
5FNJ Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination Deposited 2015-11-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1 YI6 2-(4-ethoxyphenyl)ethanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；15 MG/ML PROTEIN WITH 2.7 M AMMONIUM SULFATE, 100 MM TRIS PH 8.5 AT 8 C IN SITTING DROPS.
Resolution 1.67 Å R-free 0.183
5FNK Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination Deposited 2015-11-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 ACY ACETIC ACID × 1 NA SODIUM ION × 2 5OO (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；15 MG/ML PROTEIN WITH 2.7 M AMMONIUM SULFATE, 100 MM TRIS PH 8.5 AT 8 C IN SITTING DROPS.
Resolution 1.59 Å R-free 0.195
5FNL Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination Deposited 2015-11-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1 5ON (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；15 MG/ML PROTEIN WITH 2.7 M AMMONIUM SULFATE, 100 MM TRIS PH 8.5 AT 8 C IN SITTING DROPS.
Resolution 1.59 Å R-free 0.197
5FNM Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination Deposited 2015-11-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 5O6 (~{E})-3-(4-methoxyphenyl)but-2-enoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；15 MG/ML PROTEIN WITH 2.7 M AMMONIUM SULFATE, 100 MM TRIS PH 8.5 AT 8 C IN SITTING DROPS.
Resolution 1.59 Å R-free 0.202
5G01 An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C Deposited 2016-03-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：CATALYTIC DOMAIN, UNP RESIDUES 1-260
Mutation：YES ZN ZINC ION × 1 OE2 PSAMMAPLIN C × 2 SO4 SULFATE ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；200 NL PLUS 200 NL OF PROTEIN AT 5 MGS/ML AND RESERVOIR IN SITTING DROP PLATES. RESERVOIR WAS 2.6 TO 2.8 M AMMONIUM SULFATE WITH 100 MM TRIS PH 8.5
Resolution 1.40 Å R-free 0.165
5G03 An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C Deposited 2016-03-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：CATALYTIC DOMAIN, UNP RESIDUES 1-260
Mutation：YES ZN ZINC ION × 1 SO4 SULFATE ION × 1 OE2 PSAMMAPLIN C × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；150 NL PROTEIN AT 5.5 MG/ML PLUS 120 NL RESERVOIR AND 30 NL SEEDS IN SITTING DROP PLATES. RESERVOIR WAS 2.6 TO 2.8 M AMMONIUM SULFATE PLUS 100 MM TRIS PH 8.5
Resolution 1.35 Å R-free 0.160
5G0B An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C Deposited 2016-03-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：CATALYTIC DOMAIN, UNP RESIDUES 1-260
Mutation：YES ZN ZINC ION × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；SITTING DROPS WITH 150 NL PROTEIN AT 5.5 MG/ML WITH 120 NL RESERVOIR AND 30 NL SEEDS. THE RESERVOIR HAD 2.6 TO 2.8 M AMMONIUM SULFATE WITH 100 MM TRIS PH 8.5
Resolution 1.55 Å R-free 0.179
5G0C An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C Deposited 2016-03-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：CATALYTIC DOMAIN, UNP RESIDUES 1-260
Mutation：YES ZN ZINC ION × 1 NA SODIUM ION × 3 SO4 SULFATE ION × 2 EOH ETHANOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；SITTING DROP PLATES WITH 200 NL PROTEIN AT 5 MG/ML AND 200 NL RESERVOIR WITH 2.6 TO 2.8 M AMMONIUM SULFATE AND 100 MM TRIS AT PH 8.5
Resolution 1.28 Å R-free 0.163
5GMN Crystal structure of human carbonic anhydrase II in complex with polmacoxib Deposited 2016-07-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 949 4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxidanylidene-furan-2-yl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1 M Bis-Tris pH 6.5, 28% PEGmme2K
Resolution 1.80 Å R-free 0.202
5J8Z Human carbonic anhydrase II in complex with ligand Deposited 2016-04-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 FC4 (2R)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide × 1 6KE (2S)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293.15 K；1.3 M sodium citrate, 0.1 M TRIS-HCl
Resolution 1.70 Å R-free 0.195
5JDV Human carbonic anhydrase II (F131W) complexed with benzo[d]thiazole-2-sulfonamide Deposited 2016-04-17 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–260（258 aa）
Mutation：F130W ZN ZINC ION × 1 EVF 1,3-benzothiazole-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；We soaked these crystals with BTA and TA by carrying out the following steps: (i) We prepared soaking solutions containing 1.32 M sodium citrate, 1 mM ZnSO4, 100 mM Tris-HCl (pH 7.8), and 5 mM ligand. (ii) We combined 4 uL of soaking solution and 1-2 crystals of HCAII within a drop on the surface of a reservoir cover (EasyXtal CrystalSupport, Qiagen). (iii) To a clear plastic reservoir in a 15-reservoir plate (EasyXtal, Qiagen), we added 1 mL of soaking solution (without ligand present). We attached the reservoir cover to the reservoir and left the entire setup at 4 deg C for 1 week.
Resolution 1.34 Å R-free 0.169
5JE7 Human carbonic anhydrase II (F131Y) complexed with benzo[d]thiazole-2-sulfonamide Deposited 2016-04-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 4–260（257 aa）
Mutation：F130Y ZN ZINC ION × 1 EVF 1,3-benzothiazole-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；We soaked monoclinic crystals of HCAII with BTA by carrying out the following steps: (i) We prepared soaking solutions containing 1.32 M sodium citrate, 1 mM ZnSO4, 100 mM Tris-HCl (pH 7.8), and 5 mM ligand. (ii) We combined 4 uL of soaking solution and 1-2 crystals of HCAII within a drop on the surface of a reservoir cover (EasyXtal CrystalSupport, Qiagen). (iii) To a clear plastic reservoir in a 15-reservoir plate (EasyXtal, Qiagen), we added 1 mL of soaking solution (without ligand present). We attached the reservoir cover to the reservoir and left the entire setup at 4 deg C for 1 week.
Resolution 1.15 Å R-free 0.143
5JEG Human carbonic anhydrase II (V121I) complexed with benzo[d]thiazole-2-sulfonamide Deposited 2016-04-18 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–260（258 aa）
Mutation：V121I ZN ZINC ION × 1 EVF 1,3-benzothiazole-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；We soaked monoclinic crystals of HCAII with BTA (EVF) by carrying out the following steps: (i) We prepared soaking solutions containing 1.32 M sodium citrate, 1 mM ZnSO4, 100 mM Tris-HCl (pH 7.8), and 5 mM ligand. (ii) We combined 4 uL of soaking solution and 1-2 crystals of HCAII within a drop on the surface of a reservoir cover (EasyXtal CrystalSupport, Qiagen). (iii) To a clear plastic reservoir in a 15-reservoir plate (EasyXtal, Qiagen), we added 1 mL of soaking solution (without ligand present). We attached the reservoir cover to the reservoir and left the entire setup at 4 deg C for 1 week.
Resolution 1.19 Å R-free 0.156
5JEH Human carbonic anhydrase II (L198A) complexed with benzo[d]thiazole-2-sulfonamide Deposited 2016-04-18 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–260（258 aa）
Mutation：L197A ZN ZINC ION × 1 EVF 1,3-benzothiazole-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；We soaked monoclinic crystals of HCAII in BTA by carrying out the following steps: (i) We prepared soaking solutions containing 1.32 M sodium citrate, 1 mM ZnSO4, 100 mM Tris-HCl (pH 7.8), and 5 mM ligand. (ii) We combined 4 uL of soaking solution and 1-2 crystals of HCAII within a drop on the surface of a reservoir cover (EasyXtal CrystalSupport, Qiagen). (iii) To a clear plastic reservoir in a 15-reservoir plate (EasyXtal, Qiagen), we added 1 mL of soaking solution (without ligand present). We attached the reservoir cover to the reservoir and left the entire setup at 4 deg C for 1 week.
Resolution 1.13 Å R-free 0.159
5JEP Human carbonic anhydrase II (T199S) complexed with benzo[d]thiazole-2-sulfonamide Deposited 2016-04-18 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–260（258 aa）
Mutation：T198S ZN ZINC ION × 1 EVF 1,3-benzothiazole-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；We soaked monoclinic crystals of HCAII with BTA (EVF) by carrying out the following steps: (i) We prepared soaking solutions containing 1.32 M sodium citrate, 1 mM ZnSO4, 100 mM Tris-HCl (pH 7.8), and 5 mM ligand. (ii) We combined 4 uL of soaking solution and 1-2 crystals of HCAII within a drop on the surface of a reservoir cover (EasyXtal CrystalSupport, Qiagen). (iii) To a clear plastic reservoir in a 15-reservoir plate (EasyXtal, Qiagen), we added 1 mL of soaking solution (without ligand present). We attached the reservoir cover to the reservoir and left the entire setup at 4 deg C for 1 week.
Resolution 1.19 Å R-free 0.147
5JES Human carbonic anhydrase II (V121T) complexed with benzo[d]thiazole-2-sulfonamide Deposited 2016-04-18 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–260（258 aa）
Mutation：V121T ZN ZINC ION × 1 EVF 1,3-benzothiazole-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；We soaked monoclinic crystals of HCAII with BTA (EVF) by carrying out the following steps: (i) We prepared soaking solutions containing 1.32 M sodium citrate, 1 mM ZnSO4, 100 mM Tris-HCl (pH 7.8), and 5 mM ligand. (ii) We combined 4 uL of soaking solution and 1-2 crystals of HCAII within a drop on the surface of a reservoir cover (EasyXtal CrystalSupport, Qiagen). (iii) To a clear plastic reservoir in a 15-reservoir plate (EasyXtal, Qiagen), we added 1 mL of soaking solution (without ligand present). We attached the reservoir cover to the reservoir and left the entire setup at 4 deg C for 1 week.
Resolution 1.21 Å R-free 0.147
5JG3 Human carbonic anhydrase II (121T/N67Q) complexed with benzo[d]thiazole-2-sulfonamide Deposited 2016-04-19 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–260（258 aa）
Mutation：V121T, N67Q EVF 1,3-benzothiazole-2-sulfonamide × 2 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；We soaked monoclinic crystals of HCAII with BTA and TA by carrying out the following steps: (i) We prepared soaking solutions containing 1.32 M sodium citrate, 1 mM ZnSO4, 100 mM Tris-HCl (pH 7.8), and 5 mM ligand. (ii) We combined 4 uL of soaking solution and 1-2 crystals of HCAII within a drop on the surface of a reservoir cover (EasyXtal CrystalSupport, Qiagen). (iii) To a clear plastic reservoir in a 15-reservoir plate (EasyXtal, Qiagen), we added 1 mL of soaking solution (without ligand present). We attached the reservoir cover to the reservoir and left the entire setup at 4 deg C for 1 week.
Resolution 1.21 Å R-free 0.152
5JG5 Human carbonic anhydrase II (V121T/F131Y) complexed with benzo[d]thiazole-2-sulfonamide Deposited 2016-04-19 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–260（258 aa）
Mutation：V121T, F130Y EVF 1,3-benzothiazole-2-sulfonamide × 2 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；We soaked monoclinic crystals of HCAII with BTA (EVF) by carrying out the following steps: (i) We prepared soaking solutions containing 1.32 M sodium citrate, 1 mM ZnSO4, 100 mM Tris-HCl (pH 7.8), and 5 mM ligand. (ii) We combined 4 uL of soaking solution and 1-2 crystals of HCAII within a drop on the surface of a reservoir cover (EasyXtal CrystalSupport, Qiagen). (iii) To a clear plastic reservoir in a 15-reservoir plate (EasyXtal, Qiagen), we added 1 mL of soaking solution (without ligand present). We attached the reservoir cover to the reservoir and left the entire setup at 4 deg C for 1 week.
Resolution 1.19 Å R-free 0.141
5JGS Human carbonic anhydrase II (F131Y/L198A) complexed with benzo[d]thiazole-2-sulfonamide Deposited 2016-04-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 4–260（257 aa）
Mutation：F130Y, L197A EVF 1,3-benzothiazole-2-sulfonamide × 2 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；We soaked monoclinic crystals of HCAII with BTA (EVF) by carrying out the following steps: (i) We prepared soaking solutions containing 1.32 M sodium citrate, 1 mM ZnSO4, 100 mM Tris-HCl (pH 7.8), and 5 mM ligand. (ii) We combined 4 uL of soaking solution and 1-2 crystals of HCAII within a drop on the surface of a reservoir cover (EasyXtal CrystalSupport, Qiagen). (iii) To a clear plastic reservoir in a 15-reservoir plate (EasyXtal, Qiagen), we added 1 mL of soaking solution (without ligand present). We attached the reservoir cover to the reservoir and left the entire setup at 4 deg C for 1 week.
Resolution 1.11 Å R-free 0.131
5JGT Human carbonic anhydrase II (F131Y/L198A) complexed with 1,3-thiazole-2-sulfonamide Deposited 2016-04-20 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–260（258 aa）
Mutation：F130Y, L197A ZN ZINC ION × 1 EVI 1,3-thiazole-2-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；We soaked monoclinic crystals of HCAII with BTA by carrying out the following steps: (i) We prepared soaking solutions containing 1.32 M sodium citrate, 1 mM ZnSO4, 100 mM Tris-HCl (pH 7.8), and 5 mM ligand. (ii) We combined 4 uL of soaking solution and 1-2 crystals of HCAII within a drop on the surface of a reservoir cover (EasyXtal CrystalSupport, Qiagen). (iii) To a clear plastic reservoir in a 15-reservoir plate (EasyXtal, Qiagen), we added 1 mL of soaking solution (without ligand present). We attached the reservoir cover to the reservoir and left the entire setup at 4 deg C for 1 week.
Resolution 1.10 Å R-free 0.138
5JMZ Carbonic Anhydrase IX-mimic IN Complex WITH U-NO2 Deposited 2016-04-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 AYX 4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.6 M Na-Citrate, 50 mM Tris, pH 7.8
Resolution 1.90 Å R-free 0.195
5JN3 Carbonic Anhydrase IX-mimic IN Complex WITH U-F Deposited 2016-04-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 WWZ 4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.6 M Na-Citrate, 50 mM Tris, pH 7.8
Resolution 1.60 Å R-free 0.196
5JN7 Carbonic Anhydrase II In Complex WITH U-CH3 Deposited 2016-04-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 6LU 4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.6 M Na-Citrate, 50 mM Tris, pH 7.8
Resolution 1.52 Å R-free 0.189
5JQ0 Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH=8.7 Deposited 2016-05-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 6M4 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.7；298 K；SODIUM CITRATE 1.3M, TRIS-HCL 0.1M
Resolution 1.40 Å R-free 0.146
5JQT Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH 7.4 Deposited 2016-05-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 6M4 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium × 5 6M9 2,1-benzoxaborol-1(3H)-ol × 2 HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；2.4 M SODIUM MALONATE
Resolution 1.36 Å R-free 0.165
5L3O Crystal Structure of Human Carbonic Anhydrase II in Complex with a Quinoline Oligoamide Foldamer Deposited 2016-05-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 1–260（260 aa）
Chain B 1–260（260 aa）
Not recorded ZN ZINC ION × 2 GOL GLYCEROL × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；293 K；NA acetate, PEG 4000, NaN3
Resolution 1.98 Å R-free 0.236
5L6K Crystal Structure of Human Carbonic Anhydrase II in Complex with a Quinoline Oligoamide Foldamer Deposited 2016-05-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 1–260（260 aa）
Chain B 1–260（260 aa）
Not recorded ZN ZINC ION × 2 GOL GLYCEROL × 4 NA SODIUM ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.1；293 K；NaAc, PEG 4000
Resolution 1.70 Å R-free 0.181
5L6T CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER Deposited 2016-05-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–260（260 aa）
Chain B 1–260（260 aa）
Not recorded ZN ZINC ION × 15 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.9；293 K；ZnOAc 0.2M NaCac 0.1 M PEG 8000 pH 7.1 NaN3
Resolution 2.65 Å R-free 0.278
5L70 CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER Deposited 2016-06-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–260（260 aa）
Chain B 1–260（260 aa）
Not recorded ZN ZINC ION × 13 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；ZnOAc, NaCac, PEG 8000, NaN3
Resolution 2.20 Å R-free 0.238
5L9E CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER Deposited 2016-06-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 20 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；293 K；ZnOAc, NaCac, PEG 8000, NaN3
Resolution 2.90 Å R-free 0.273
5L9E CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER Deposited 2016-06-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 1–260（260 aa）
Not recorded ZN ZINC ION × 10 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；293 K；ZnOAc, NaCac, PEG 8000, NaN3
Resolution 2.90 Å R-free 0.273
5L9E CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER Deposited 2016-06-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1–260（260 aa）
Not recorded ZN ZINC ION × 12 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；293 K；ZnOAc, NaCac, PEG 8000, NaN3
Resolution 2.90 Å R-free 0.273
5L9E CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER Deposited 2016-06-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 1–260（260 aa）
Not recorded ZN ZINC ION × 12 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；293 K；ZnOAc, NaCac, PEG 8000, NaN3
Resolution 2.90 Å R-free 0.273
5LJQ Crystal structure of human carbonic anhydrase II in complex with the 4-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide inhibitor Deposited 2016-07-19 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 ANV 1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；296 K；1.5 M sodium citrate, Tris 50 mM
Resolution 1.05 Å R-free 0.148
5LJT Crystal structure of human carbonic anhydrase II in complex with the 4-((1-phenyl-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide inhibitor Deposited 2016-07-19 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 A6N 4-[[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenoxy]methyl]-1-phenyl-1,2,3-triazole × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；296 K；1.5 M sodium citrate, Tris 50 mM
Resolution 1.00 Å R-free 0.157
5LL4 Crystal structure of human carbonic anhydrase isozyme II with 4-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide Deposited 2016-07-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：human carbonic anhydrase II
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 BCN BICINE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 MLA MALONIC ACID × 1 6YH 4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer: 0.1M sodium bicine (pH 9), 0.2M ammonium sulfate and 2M sodium malonate (pH 7)
Resolution 1.12 Å R-free 0.171
5LL4 Crystal structure of human carbonic anhydrase isozyme II with 4-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide Deposited 2016-07-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–260（260 aa） Fragment：human carbonic anhydrase II
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 BCN BICINE × 1 MLA MALONIC ACID × 1 6YH 4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer: 0.1M sodium bicine (pH 9), 0.2M ammonium sulfate and 2M sodium malonate (pH 7)
Resolution 1.12 Å R-free 0.171
5LL8 Human Carbonic Anhydrase II in complex with aliphatic Benzenesulfonamide inhibitor. Deposited 2016-07-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 4 ZN ZINC ION × 1 6YP 4-butylbenzenesulfonamide × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；2.0 uL of protein solution (10.5 mg/mL in 50 mM Tris pH=7.8) were mixed with 2.0 uL of the well solution (2.7 M (NH4)2SO4, 100 mM Tris, pH=7.8, saturated with PCMB) and placed as hanging drop. Crystals appeared after several days. The crystals were soaked in 3.0 M (NH4)2SO4, 100 mM Tris, pH=7.8, saturated with inhibitor) for 1 day.
Resolution 1.03 Å R-free 0.143
5LLC Crystal structure of human carbonic anhydrase isozyme II with 3-(Methylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide Deposited 2016-07-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：human carbonic anhydrase II
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 EDO 1,2-ETHANEDIOL × 4 V26 2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer: 0.1M sodium bicine (pH 9), 0.2 M ammonium sulfate and 2M sodium malonate (pH 7)
Resolution 1.10 Å R-free 0.161
5LLE Crystal structure of human carbonic anhydrase isozyme II with 4-(1-Adamantylamino)-2,3,5,6-tetrafluorobenzenesulfonamide Deposited 2016-07-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：human carbonic anhydrase II
Not recorded ZN ZINC ION × 1 V51 4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 DMS DIMETHYL SULFOXIDE × 1 BCN BICINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；Crystallization buffer: 2.5M sodium malonate (Ph 7.5) and 0.075M sodium bicine (pH 9)
Resolution 1.90 Å R-free 0.215
5LLG Crystal structure of human carbonic anhydrase isozyme II with 4-Propylthiobenzenesulfonamide Deposited 2016-07-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：human carbonic anhydrase II
Not recorded ZN ZINC ION × 1 VD9 4-(propylsulfanyl)benzenesulfonamide × 2 DMS DIMETHYL SULFOXIDE × 2 BCN BICINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer: 0.1M sodium bicine (pH 9), 0.2M ammonium sulfate and 2M sodium malonate (pH 7)
Resolution 1.12 Å R-free 0.167
5LLH Crystal structure of human carbonic anhydrase isozyme II with 4-(1,3-Benzothiazol-2-ylthio)-2,3,5,6-tetrafluorobenzenesulfonamide Deposited 2016-07-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：human carbonic anhydrase II
Not recorded ZN ZINC ION × 1 V49 4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide × 1 DMS DIMETHYL SULFOXIDE × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 BCN BICINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；Crystallization buffer: 2.03M sodium malonate (pH 7.5)
Resolution 1.90 Å R-free 0.242
5LMD The crystal structure of hCA II in complex with a benzoxaborole inhibitor Deposited 2016-07-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 RC4 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.7；293 K；1.4 M Sodium Citrate 0.1 M Tris-HCl
Resolution 1.70 Å R-free 0.201
5LVS Self-assembled protein-aromatic foldamer complexes with 2:3 and 2:2:1 stoichiometries Deposited 2016-09-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain A 2–260（259 aa）
Chain B 2–260（259 aa）
Not recorded ZN ZINC ION × 2 GOL GLYCEROL × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.3；293 K；Ammonium sulfate 200 mM Sodium acetate 100 mM PEG 4000 24% NaN3 3 mM
Resolution 1.42 Å R-free 0.178
5M78 Human Carbonic Anhydrase II in complex with fragment-like inhibitor. Deposited 2016-10-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded DMS DIMETHYL SULFOXIDE × 1 ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 SAL 2-HYDROXYBENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Crystallization: 2 uL protein solution in 50 mM Tris, pH=7.8 mixed with 2 uL (NH4)2SO4, 100 mM Tris, pH=7.8, satured with PCMB and placed as hanging drop. Crystals appeared after a few days. The crystal for data collection was soaked in 5 uL containing 35 % PEG 3350 (50 % w/v), 20 % NaCl (1 M), 25 % PEG 400, 10 % H2O, 10 % Ligandstock in DMSO (1 M)
Resolution 1.08 Å R-free 0.144
5MJN Three dimensional structure of human carbonic anhydrase II in complex with 5-[(4Chlorobenzyl)sulfanyl]thiophene-2-sulfonamide Deposited 2016-12-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 7O8 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；294 K；1,54 M SODIUM CITRATE 60 MM TRIS- HCL, PH 9.0, PROTEIN 10 MG/ML 5-10 MM INHIBITOR (STOCK SOLUTION WAS 100 MM INHIBITOR DISSOLVED IN 100% DIMETHYL SULFOXIDE) VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K, TIME 2-5 DAYS
Resolution 1.17 Å R-free 0.173
5N0D Crystal structure of human carbonic anhydrase II in complex with (R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide. Deposited 2017-02-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 8F2 (R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M sodium citrate, 0.1 M Tris-HCl, pH 8.5.
Resolution 1.70 Å R-free 0.209
5N0E Crystal structure of human carbonic anhydrase II in complex with (S)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide. Deposited 2017-02-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 8F3 4-[[(1~{S})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M sodium citrate, 0.1 M Tris-HCl, pH 8.5.
Resolution 1.75 Å R-free 0.198
5N1R Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4'-Pyrazol-1-ylmethyl-biphenyl-4-sulfonamide Deposited 2017-02-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 8GH 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；296 K；1.5 M sodium citrate, Tris 50 mM pH 8.0
Resolution 1.30 Å R-free 0.195
5N1S Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(1H-Indol-2-yl)-benzenesulfonamide Deposited 2017-02-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 8GE 4-(1~{H}-indol-2-yl)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；296 K；1.5 M sodium citrate, Tris 50 mM
Resolution 1.30 Å R-free 0.180
5N24 Crystal structure of human carbonic anhydrase II in complex with the inhibitor b4'-Cyano-biphenyl-4-sulfonic acid amide Deposited 2017-02-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 8HE 4-(4-cyanophenyl)benzenesulfonamide × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；296 K；1.5 M sodium citrate, Tris 50 mM
Resolution 1.50 Å R-free 0.209
5N25 Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-Pyridin-3-yl-benzenesulfonamide Deposited 2017-02-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 8HK 4-pyridin-3-ylbenzenesulfonamide × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；296 K；1.5 M sodium citrate, Tris 50 mM
Resolution 1.40 Å R-free 0.199
5NEA Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(2-methyl-1,3-oxazol-5-yl)benzene-1-sulfonammide Deposited 2017-03-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 8V8 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide × 2 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；296 K；1.6 M sodium citrate, Tris 50 mM
Resolution 1.30 Å R-free 0.186
5NEE Crystal structure of human carbonic anhydrase II in complex with the inhibitor 5-[2-(morpholine-4-carbonyl)1,3-oxazol-5-yl)]thiophene-2-sulfonammide Deposited 2017-03-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 8V5 5-(2-morpholin-4-ylcarbonyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；296 K；1.5 M sodium citrate, Tris 50 mM
Resolution 1.70 Å R-free 0.222
5NXG Carbonic Anhydrase II Inhibitor RA1 Deposited 2017-05-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 RA1 2-chloranyl-4-nitro-~{N}-(4-sulfamoylphenyl)benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291.15 K；50 mM Tris, 1.6 M Natrium Acetate
Resolution 1.20 Å R-free 0.168
5NXI Carbonic Anhydrase II Inhibitor RA2 Deposited 2017-05-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 9DE 4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291.15 K；50 mM Tris 1.6 M Natrium Citrate
Resolution 1.16 Å R-free 0.146
5NXM Carbonic Anhydrase II Inhibitor RA1 Deposited 2017-05-10 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 RA5 8-methoxy-2-oxidanylidene-~{N}-(4-sulfamoylphenyl)chromene-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291.15 K；50 mM Tris 1.6 M Natrium Citrate
Resolution 1.25 Å R-free 0.156
5NXO Carbonic Anhydrase II Inhibitor RA6 Deposited 2017-05-10 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 9HK 4-[(4-nitrophenyl)methyl]benzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；50 mM Tris 1.6 M Natrium Citrate
Resolution 1.20 Å R-free 0.150
5NXP Carbonic Anhydrase II Inhibitor RA7 Deposited 2017-05-10 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 9DH 2-[methyl(phenyl)amino]-~{N}-(4-sulfamoylphenyl)ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；50 mM Tris 1.6 M Natrium Citrate
Resolution 1.25 Å R-free 0.162
5NXV Carbonic Anhydrase II Inhibitor RA8 Deposited 2017-05-11 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 9E2 2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-~{N}-(4-sulfamoylphenyl)ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；273 K；50 mM Tris 1.6 M Natrium Citrate
Resolution 1.10 Å R-free 0.150
5NXW Carbonic Anhydrase II Inhibitor RA9 Deposited 2017-05-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 RA9 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{N}-(4-sulfamoylphenyl)ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；50 mM Tris 1.6 M Natrium Citrate
Resolution 1.10 Å R-free 0.155
5NY1 Carbonic Anhydrase II Inhibitor RA10 Deposited 2017-05-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 9E5 3,6,7-trimethyl-~{N}-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；50 mM Tris 1.6 M Natrium Citrate
Resolution 1.10 Å R-free 0.160
5NY3 Carbonic Anhydrase II Inhibitor RA11 Deposited 2017-05-11 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 9E8 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；50 mM Tris 1.6 M Natrium Citrate
Resolution 1.40 Å R-free 0.172
5NY6 Carbonic Anhydrase II Inhibitor RA12 Deposited 2017-05-11 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 9EB 4-chloranyl-~{N}-[(1~{R})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide × 1 R92 4-chloranyl-~{N}-[(1~{S})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；50 mM Tris 1.6 M Natrium Citrate
Resolution 1.10 Å R-free 0.154
5NYA Carbonic Anhydrase II Inhibitor RA13 Deposited 2017-05-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 FB2 benzenesulfonamide × 1 GUA GLUTARIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；50 mM Tris 1.6 M Natrium Citrate
Resolution 1.20 Å R-free 0.138
5O07 The crystal structure of the human carbonic anhydrase II in complex with a nitroimidazole sulfamate inhibitor Deposited 2017-05-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 1VQ 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；1.3 M SODIUM CITRATE, 100 MM TRIS-HCL
Resolution 1.80 Å R-free 0.195
5OGN Metalacarborane inhibitors of Carbonic Anhydrase IX Deposited 2017-07-13 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 2 B8B cobaltcarborane × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-HCl pH 7.8
Resolution 1.10 Å R-free 0.202
5OGN Metalacarborane inhibitors of Carbonic Anhydrase IX Deposited 2017-07-13 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–260（258 aa）
Not recorded ZN ZINC ION × 1 B8B cobaltcarborane × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-HCl pH 7.8
Resolution 1.10 Å R-free 0.202
5OGO Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide Deposited 2017-07-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：chimeric carbonic anhydrase I
Mutation：N62V, N67H, I91F, V121A, F130L, V134A, T199H, L203Y ZN ZINC ION × 1 WWO 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide × 2 DMS DIMETHYL SULFOXIDE × 1 BCN BICINE × 3 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 7；291 K；Crystallization buffer: 0.1M sodium bicine (pH 9.0), 0.2M ammonium sulfate and 2M sodium malonate (pH 7.0)
Resolution 0.99 Å R-free 0.148
5OGP Metalacarborane inhibitors of Carbonic Anhydrase IX Deposited 2017-07-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 9UK cobaltcarborane × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate 50 mM Tris-HCl pH 7.8.
Resolution 1.10 Å R-free 0.150
5SZ0 Carbonic anhydrase II in complex with 4-(phenyl)-benzenesulfonamide Deposited 2016-08-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa） Fragment：UNP residues 4-260
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 72D 4-(phenyl)-benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；1.6M Sodium Citrate, 50mM Tris pH 7.8
Resolution 1.63 Å R-free 0.192
5SZ1 Carbonic anhydrase II in complex with 4-(2-methylphenyl)-benzenesulfonamide Deposited 2016-08-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 3 72E 4-(2-methylphenyl)-benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；1.6M Sodium Citrate, 50mM Tris pH 7.8
Resolution 1.55 Å R-free 0.185
5SZ2 Carbonic anhydrase II in complex with 4-(3-formylphenyl)-benzenesulfonamide Deposited 2016-08-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 4 GOL GLYCEROL × 1 72G 4-(3-formylphenyl)-benzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；1.6M Sodium Citrate, 50mM Tris pH 7.8
Resolution 1.63 Å R-free 0.180
5SZ3 Carbonic anhydrase II in complex with 4-(3-quinolinyl)-benzenesulfonamide Deposited 2016-08-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 5 72H 4-(3-quinolinyl)-benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；1.6M Sodium Citrate, 50mM Tris pH 7.8
Resolution 1.69 Å R-free 0.203
5SZ4 Carbonic anhydrase IX-mimic in complex with 4-(phenyl)-benzenesulfonamide Deposited 2016-08-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa） Fragment：UNP residues 4-260
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 72D 4-(phenyl)-benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；1.6M Sodium Citrate, 50mM Tris pH 7.8
Resolution 1.60 Å R-free 0.217
5SZ5 Carbonic anhydrase IX-mimic in complex with 4-(2-methylphenyl)-benzenesulfonamide Deposited 2016-08-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 72E 4-(2-methylphenyl)-benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；1.6M Sodium Citrate, 50mM Tris pH 7.8
Resolution 1.27 Å R-free 0.164
5SZ6 Carbonic anhydrase IX-mimic in complex with 4-(3-formylphenyl)-benzenesulfonamide Deposited 2016-08-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa） Fragment：UNP residues 4-260
Not recorded ZN ZINC ION × 1 72G 4-(3-formylphenyl)-benzenesulfonamide × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；1.6M Sodium Citrate, 50mM Tris pH 7.8
Resolution 1.15 Å R-free 0.159
5SZ7 Carbonic anhydrase IX-mimic in complex with 4-(3-quinolinyl)-benzenesulfonamide Deposited 2016-08-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 72H 4-(3-quinolinyl)-benzenesulfonamide × 1 DMS DIMETHYL SULFOXIDE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；1.6M Sodium Citrate, 50mM Tris pH 7.8
Resolution 1.78 Å R-free 0.195
5T71 Human carboanhydrase F131C_C206S double mutant in complex with SA-2 Deposited 2016-09-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：F131C; C206S ZN ZINC ION × 1 HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 75W 4-[(E)-diazenyl]benzene-1-sulfonamide × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；3 M (NH4)2SO4, 50 mM Tris-HCl
Resolution 1.30 Å R-free 0.171
5T72 Human carboanhydrase F131C_C206S double mutant in complex with 2 Deposited 2016-09-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 4WA 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；3 M (NH4)2SO4, 50 mM Tris-HCl
Resolution 1.30 Å R-free 0.166
5T74 Human carboanhydrase F131C_C206S double mutant in complex with 14 Deposited 2016-09-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 75Y 2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；3 M (NH4)2SO4, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.169
5T75 Human carbonic anhydrase II G132C_C206S double mutant in complex with SA-2 Deposited 2016-09-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 4WA 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；3 M (NH4)2SO4, 50 mM Tris-HCl
Resolution 1.50 Å R-free 0.175
5TFX New method for synthesis of benzoxazole amide inhibitors of carbonic anhydrase Deposited 2016-09-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 7B1 N-(5-sulfamoyl-1,3-benzoxazol-2-yl)benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.3；281 K；2.7 M ammonium sulfate, 100 mM Tris pH 8.3 with protein at 7 mg/mL
Resolution 1.50 Å R-free 0.246
5TH4 Crystal Structure of 1-hydroxypyridine-2(1H)-thione bound to human carbonic anhydrase 2 L198G Deposited 2016-09-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：L198G ZN ZINC ION × 1 BEW 1-hydroxy-2-sulfanylpyridinium × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；Ammonium Sulfate, Tris, pH 8.0, VAPOR DIFFUSION, temperature 291K
Resolution 1.47 Å R-free 0.212
5THI Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2 L198G Deposited 2016-09-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：L198G ZN ZINC ION × 1 0TR 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE × 1 CIT CITRIC ACID × 1 MBO MERCURIBENZOIC ACID × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；291 K；Ammonium Sulfate, Tris, pH 8.0, VAPOR DIFFUSION, temperature 291K
Resolution 1.50 Å R-free 0.196
5THJ Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2 Deposited 2016-09-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 0TR 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE × 1 MBO MERCURIBENZOIC ACID × 1 DMS DIMETHYL SULFOXIDE × 6 GOL GLYCEROL × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；Ammonium Sulfate, Tris, pH 8.0, VAPOR DIFFUSION, temperature 291K
Resolution 1.50 Å R-free 0.189
5THN Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2 Deposited 2016-09-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 CIT CITRIC ACID × 1 GOL GLYCEROL × 1 7CZ 2-hydroxycyclohepta-2,4,6-triene-1-thione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；Ammonium Sulfate, Tris, pH 8.0 VAPOR DIFFUSION, temperature 291K
Resolution 1.33 Å R-free 0.206
5TI0 Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2 L198G Deposited 2016-09-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：L198G ZN ZINC ION × 1 7CZ 2-hydroxycyclohepta-2,4,6-triene-1-thione × 1 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；Ammonium Sulfate, Tris, pH 8.0 VAPOR DIFFUSION, temperature 291K
Resolution 1.42 Å R-free 0.196
5TXY Identification of a New Zinc Binding Chemotype of by Fragment Screening on human carbonic anhydrase Deposited 2016-11-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 FMT FORMIC ACID × 1 7Q1 (5R)-5-phenyl-1,3-oxazolidine-2,4-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；280 K；2.58 M ammonium sulfate, 0.1 M tris-chloride (pH 8.9)
Resolution 1.21 Å R-free 0.175
5TY1 Identification of a New Zinc Binding Chemotype by Fragment Screening Deposited 2016-11-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 7QV (5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.3；281 K；the reservoir condition consisted of 2.9 M ammonium sulfate with 0.1 M Tris buffer at pH 8.3; concentrated CA II at ~10 mg mL-1 was set up with seeding; dry compound was added to crystals several days before harvesting and data collection
Resolution 1.60 Å R-free 0.187
5TY8 Identification of a New Zinc Binding Chemotype by Fragment Screening Deposited 2016-11-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 7Q1 (5R)-5-phenyl-1,3-oxazolidine-2,4-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.3；281 K；the reservoir condition consisted of 2.9 M ammonium sulfate with 0.1 M Tris buffer at pH 8.3; concentrated CA II at ~10 mg mL-1 was set up with seeding; dry compound was added to crystals several days before harvesting and data collection
Resolution 1.45 Å R-free 0.163
5TY9 Identification of a New Zinc Binding Chemotype by Fragment Screening Deposited 2016-11-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 7QV (5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.3；281 K；the reservoir condition consisted of 2.9 M ammonium sulfate with 0.1 M Tris buffer at pH 8.3; concentrated CA II at ~10 mg mL-1 was set up with seeding; dry compound was added to crystals several days before harvesting and data collection
Resolution 1.53 Å R-free 0.181
5TYA Identification of a New Zinc Binding Chemotype by Fragment Screening Deposited 2016-11-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 7QS (5R)-5-phenyl-1,3-thiazolidine-2,4-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.3；281 K；the reservoir condition consisted of 2.9 M ammonium sulfate with 0.1 M Tris buffer at pH 8.3; concentrated CA II at ~10 mg mL-1 was set up with seeding; dry compound was added to crystals several days before harvesting and data collection
Resolution 1.50 Å R-free 0.165
5U0D Identification of a New Zinc Binding Chemotype by Fragment Screening Deposited 2016-11-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 7R7 (5R)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；the reservoir condition consisted of 2.9 M ammonium sulfate with 0.1 M Tris buffer at pH 8.3; concentrated CA II at ~10 mg mL-1 was set up with seeding; dry compound was added to crystals several days before harvesting and data collection
Resolution 1.59 Å R-free 0.154
5U0E Identification of a New Zinc Binding Chemotype by Fragment Screening Deposited 2016-11-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 7R4 (5R)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one × 1 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；the reservoir condition consisted of 2.9 M ammonium sulfate with 0.1 M Tris buffer at pH 8.3; concentrated CA II at ~10 mg mL-1 was set up with seeding; dry compound was added to crystals several days before harvesting and data collection
Resolution 1.27 Å R-free 0.148
5U0F Identification of a New Zinc Binding Chemotype by Fragment Screening Deposited 2016-11-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 7R1 (5R)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；the reservoir condition consisted of 2.9 M ammonium sulfate with 0.1 M Tris buffer at pH 8.3; concentrated CA II at ~10 mg mL-1 was set up with seeding; dry compound was added to crystals several days before harvesting and data collection
Resolution 1.21 Å R-free 0.180
5U0G Identification of a New Zinc Binding Chemotype by Fragment Screening Deposited 2016-11-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 7QY (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione × 1 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；the reservoir condition consisted of 2.9 M ammonium sulfate with 0.1 M Tris buffer at pH 8.3; concentrated CA II at ~10 mg mL-1 was set up with seeding; dry compound was added to crystals several days before harvesting and data collection
Resolution 1.54 Å R-free 0.166
5ULN Synthesis of novel seleno ureido containing compounds as SLC-0111 analogs. Investigations on carbonic anhydrases activity, glutathione peroxidase and X-ray crystallography Deposited 2017-01-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 8JS 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.3；281 K；concentrated CA II at ~10 mg/mL was set up in SD-2 plates (Molecular Dimensions) with the following ratio of protein plus reservoir plus seeds: 250 nL + 225 nL + 25 nL. The plate was incubated at 8 C and the reservoir condition consisted of 2.9 M ammonium sulfate with 0.1 M Tris buffer at pH 8.3. Dry compound was added to the crystallization drop after crystals had formed and several days before data were c ollected.
Resolution 1.35 Å R-free 0.143
5UMC Synthesis of novel seleno ureido containing compounds as SLC-0111 analogs. Investigations on carbonic anhydrases activity, glutathione peroxidase and X-ray crystallography Deposited 2017-01-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 2 UNL UNKNOWN LIGAND × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；concentrated CA II at ~10 mg/mL was set up in SD-2 plates (Molecular Dimensions) with the following ratio of protein plus reservoir plus seeds: 250 nL + 225 nL + 25 nL. The plate was incubated at 8 C and the reservoir condition consisted of 2.9 M ammonium sulfate with 0.1 M Tris buffer at pH 8.3. Dry compound was added to the crystallization drop after crystals had formed and several days before data were collected.
Resolution 2.15 Å R-free 0.261
5VGY Identification of a New Zinc Binding Chemotype by Fragment Screening Deposited 2017-04-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 NA SODIUM ION × 2 9AA (5S)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.3；281 K；concentrated CA II at 10 mg/mL was set up with microseeding over 2.9 M ammonium sulfate with 0.1 M Tris buffer at pH 8.3 at 8 C in 250 nL plus 225 nL plus 25 nL (seeds) ratio.
Resolution 1.39 Å R-free 0.156
5W8B Carbonic anhydrase II in complex with activating histamine pyridinium derivative Deposited 2017-06-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa） Fragment：UNP residues 4-260
Not recorded ZN ZINC ION × 1 A9J Hexafluorophosphate anion × 1 GOL GLYCEROL × 1 A57 1-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；296 K；1.4M Sodium Citrate, 50mM Tris, pH 7.8
Resolution 1.60 Å R-free 0.183
5WEX Discovery of new selenoureido analogs of 4-(4-fluorophenylureido) benzenesulfonamides as carbonic anhydrase inhibitors Deposited 2017-07-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 8JS 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.3；281 K；concentrated CA II at about 10 mg/mL was set up in SD-2 plates with the following ratio of protein plus reservoir plus seeds: 250nL plus 225 nL plus 25 nL. The plate was incubated at 8C and the reservoir condition consisted of 2.9 M ammonium sulfate with 0.1 M Tris buffer at pH 8. 3
Resolution 1.26 Å R-free 0.147
5WG7 Human Carbonic Anhydrase II complexed with AceK Deposited 2017-07-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded AUD Acesulfame × 6 ZN ZINC ION × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；1.6 M sodium citrate and 50 mM Tris
Resolution 1.45 Å R-free 0.176
5WG7 Human Carbonic Anhydrase II complexed with AceK Deposited 2017-07-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded AUD Acesulfame × 6 ZN ZINC ION × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；1.6 M sodium citrate and 50 mM Tris
Resolution 1.45 Å R-free 0.176
5WGP Human Carbonic Anhydrase IX-mimic complexed with AceK Deposited 2017-07-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 AUD Acesulfame × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；1.6 M sodium citrate, 50 mM Tris
Resolution 1.53 Å R-free 0.190
5WLR Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide Deposited 2017-07-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa） Fragment：UNP residues 4-260
Not recorded ZN ZINC ION × 1 86B 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M sodium citrate 50mM Tris-HCl
Resolution 1.49 Å R-free 0.172
5WLT Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide Deposited 2017-07-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa） Fragment：UNP residues 4-260
Not recorded ZN ZINC ION × 1 86B 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide × 4 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M Sodium Citrate 50mM Tris-HCl
Resolution 1.57 Å R-free 0.176
5WLU Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide Deposited 2017-07-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa） Fragment：UNP residues 4-260
Not recorded ZN ZINC ION × 1 42G 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M Sodium Citrate 50mM Tris-HCl
Resolution 1.39 Å R-free 0.271
5WLV Carbonic Anhydrase II in complex with aryloxy-2-hydroxypropylammine sulfonamide Deposited 2017-07-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa） Fragment：UNP residues 4-260
Not recorded ZN ZINC ION × 1 42G 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide × 2 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M Sodium Citrate 50mM Tris-HCl
Resolution 1.40 Å R-free 0.167
5Y2R 2.5 atm CO2-pressurized human carbonic anhydrase II Deposited 2017-07-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate 100 mM TrisHCl pH 7.8
Resolution 1.00 Å R-free 0.131
5Y2S 7.0 atm CO2-pressurized human carbonic anhydrase II Deposited 2017-07-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate 100 mM TrisHCl pH 7.8
Resolution 0.90 Å R-free 0.127
5YUI CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics Deposited 2017-11-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3M sodium citrate, 100mM TrisHCl pH 7.8
Resolution 1.20 Å R-free 0.134
5YUJ CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics Deposited 2017-11-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3M sodium citrate, 100mM TrisHCl pH 7.8
Resolution 1.25 Å R-free 0.130
5YUK CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics Deposited 2017-11-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M sodium citrate, 100 mM TrisHCl pH 7.8
Resolution 1.45 Å R-free 0.136
5ZXW Crystal structure of human carbonic anhydrase II crystallized by ammonium sulfate Deposited 2018-05-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 5–260（256 aa） Fragment：UNP residues 5-260
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；281 K；2.7M ammonium sulfate
Resolution 1.32 Å R-free 0.198
6B00 Thermostabilized mutant of human carbonic anhydrase II - A65T L100H K154N L224S L240P A248T Deposited 2017-09-13 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Mutation：A65T, L100H, K153N, L223S, L239P, A247T GOL GLYCEROL × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；50 mM Tris pH 8, 2.5 M ammonium sulfate
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；50 mM Tris pH 8, 2.5 M ammonium sulfate
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；50 mM Tris pH 8, 2.5 M ammonium sulfate
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；50 mM Tris pH 8, 2.5 M ammonium sulfate
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；50 mM Tris pH 8, 2.5 M ammonium sulfate
Resolution 0.90 Å R-free 0.144
6B4D Crystal structure of human carbonic anhydrase II in complex with a heteroaryl-pyrazole carboxylic acid derivative. Deposited 2017-09-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 GOL GLYCEROL × 1 53X 3-(1-ethyl-1H-indol-3-yl)-1-methyl-1H-pyrazole-5-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M sodium citrate, 50mM Tris HCl
Resolution 1.20 Å R-free 0.156
6B59 Carbonic anhydrase II in complex with nitrogenous base-bearing benezenesulfonamide Deposited 2017-09-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 CQS 2-(6-amino-9H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M NaCitrate 50mM Tris-HCl
Resolution 1.64 Å R-free 0.171
6B5A Carbonic anhydrase IX-mimic in complex with nitrogenous base-bearing benezenesulfonamide Deposited 2017-09-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 CQS 2-(6-amino-9H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M NaCitrate 50mM Tris-HCl
Resolution 1.62 Å R-free 0.201
6BBS Joint X-ray/neutron structure of human carbonic anhydrase II in complex with brinzolamide Deposited 2017-10-19 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 BZ1 (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE × 1 Experimental method not declared
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；290 K；1.6 M sodium citrate, 50 mM TRIS pH 8.0
Resolution 2.00 Å R-free 0.287
6BC9 Joint X-ray/neutron structure of human carbonic anhydrase II in complex with dorzolamide Deposited 2017-10-20 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 ETS (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE × 1 Experimental method not declared
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.6 M sodium citrate, 50 mM TRIS pH 8.0
Resolution not provided
6BCC Joint X-ray/neutron structure of human carbonic anhydrase II in complex with ethoxzolamide Deposited 2017-10-20 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 EZL 6-ethoxy-1,3-benzothiazole-2-sulfonamide × 1 Experimental method not declared
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.6 M sodium citrate, 50 mM TRIS pH 8.0
Resolution 1.80 Å R-free 0.176
6C7W Carbonic anhydrase 2 in complex with [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE inhibitor Deposited 2018-01-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 LMS [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；281 K；Protein was at 10 mg/mL and was set up in 250 plus 250 nL drops with a reservoir of 50 mM Tris pH 8.0, 2.8 M ammonium sulfate
Resolution 1.28 Å R-free 0.151
6C7X Carbonic anhydrase 2 in complex with 2-chloro-5'-O-sulfamoyladenosine Deposited 2018-01-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 EO7 2-chloro-5'-O-sulfamoyladenosine × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；281 K；Protein was at 10 mg/mL and was set up in 250 plus 250 nL drops with a reservoir of 50 mM Tris pH 8.0, 2.8 M ammonium sulfate at 8C
Resolution 1.50 Å R-free 0.188
6CA2 ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II Deposited 1991-07-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
6CEH Design, Synthesis, X-ray and Biological Activities of Selenides Bearing the Benzenesulfonamide Moiety as New Class of Agents for Prevention of Diabetic Cerebrovascular Pathology Deposited 2018-02-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 EZ1 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide × 2 GOL GLYCEROL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；200 nL 7 mg/mL protein + 200 nL reservoir solution (2.9 M ammonium sulfate, 100 mM Tris buffer, pH 8.3), equilibriated at 281K
Resolution 1.43 Å R-free 0.208
6CJV Carbonic anhydrase IX-mimic in complex with sucralose Deposited 2018-02-26 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M sodium citrate, 50mM Tris-HCl
Resolution 1.55 Å R-free 0.185
6D1L Design, synthesis, and X-ray of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects Deposited 2018-04-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 FQV 4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.6；281 K；200 nL 7 mg/mL protein + 200 nL reservoir (2.8 M ammonium sulfate, 100 mM Tris, pH 8.6)
Resolution 1.40 Å R-free 0.181
6D1M Design, synthesis, and X-ray of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects Deposited 2018-04-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 FQY 4-(cyclohexylselanyl)benzene-1-sulfonamide × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.6；281 K；200 nL 7 mg/mL protein + 200 nL reservoir (2.8 M ammonium sulfate, 100 mM Tris, pH 8.6)
Resolution 1.21 Å R-free 0.157
6E8P CA IX mimic Complexed with Steroidal Sulfamate Compound STX 49 Deposited 2018-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A62S, N64Q, E66T, I88L, F127V, K166E, L203A ZN ZINC ION × 1 HZJ (14beta,17beta)-estra-1(10),2,4,6,8-pentaene-3,17-diyl disulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M NaCitrate 50mM Tris
Resolution 1.90 Å R-free 0.191
6E8X CA IX mimic Complexed with Steroidal Sulfamate Compound STX 140 Deposited 2018-07-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 J0A (13alpha,17alpha)-2-methoxyestra-1,3,5,7,9,11-hexaene-3,17-diyl disulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M NaCitrate 50mM Tris
Resolution 1.60 Å R-free 0.189
6E91 CA IX mimic Complexed with Steroidal Sulfamate Compound STX 2484 Deposited 2018-07-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 J04 7-methoxy-6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M NaCitrate 50mM Tris
Resolution 1.80 Å R-free 0.174
6E92 CA IX mimic Complexed with Steroidal Sulfamate Compound STX 2845 Deposited 2018-07-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 HZY 6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M NaCitrate 50mM Tris
Resolution 1.77 Å R-free 0.189
6EBE Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. Deposited 2018-08-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 J3V 4-hydroxy-3-nitro-5-{[4-(trifluoromethyl)phenyl]carbamamido}benzene-1-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M Sodium citrate, 50 mM Tris-HCl, pH 7.8
Resolution 1.88 Å R-free 0.228
6ECZ Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. Deposited 2018-08-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 J4D N-[2-hydroxy-3-nitro-5-(nitrosulfonyl)phenyl]-N'-(pentafluorophenyl)urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M Sodium citrate, 50 mM Tris-HCl
Resolution 2.21 Å R-free 0.220
6EDA Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. Deposited 2018-08-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 J3V 4-hydroxy-3-nitro-5-{[4-(trifluoromethyl)phenyl]carbamamido}benzene-1-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M Sodium citrate, 50 mM Tris-HCl
Resolution 1.88 Å R-free 0.228
6EEA Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. Deposited 2018-08-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 J3V 4-hydroxy-3-nitro-5-{[4-(trifluoromethyl)phenyl]carbamamido}benzene-1-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M Sosium citrate, 50 mM Tris-HCl
Resolution 1.63 Å R-free 0.197
6EEH Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. Deposited 2018-08-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 J4D N-[2-hydroxy-3-nitro-5-(nitrosulfonyl)phenyl]-N'-(pentafluorophenyl)urea × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M Sodium citrate, 50 mM Tris-HCl
Resolution 1.63 Å R-free 0.187
6EEO Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. Deposited 2018-08-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 J6V 3-[(4-fluoro-3-methylphenyl)carbamamido]-4-hydroxy-5-nitrobenzene-1-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M Sodium citrate, 50 mM Tris-HCl
Resolution 1.72 Å R-free 0.207
6EQU X-Ray crystal structure of the human carbonic anhydrase II adduct with a membrane-impermeant inhibitor Deposited 2017-10-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 BVE 4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；1.3 M SODIUM CITRATE, 100 mM TRIS-HCl
Resolution 1.65 Å R-free 0.210
6FJI Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (apo). Deposited 2018-01-22 Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 Experimental method not declared
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；1.2 M sodium citrate 100 mM Tris pH 8.5
Resolution not provided
6FJJ Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin). Deposited 2018-01-22 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 LSA 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE × 1 Experimental method not declared
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；1.2 M sodium citrate, 100 mM Tris pH 8.5
Resolution not provided
6G3Q Crystal structure of human carbonic anhydrase II in complex with the inhibitor famotidine Deposited 2018-03-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 FO9 famotidine × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；296 K；1.5 M sodium citrate, Tris 50 mM
Resolution 1.01 Å R-free 0.151
6G6T Crystal structure of human carbonic anhydrase isozyme II with N-butyl-2,4-dichloro-5-sulfamoyl-benzamide Deposited 2018-04-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：human carbonic anhydrase II
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 BCN BICINE × 1 ENN ~{N}-butyl-2,4-bis(chloranyl)-5-sulfamoyl-benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer: 0.1M sodium bicine (pH 9), 0.2M ammonium sulfate and 2M sodium malonate (pH 7)
Resolution 1.12 Å R-free 0.177
6GCY Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin-sugar conjugate complex) Deposited 2018-04-20 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 3QR [1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl alpha-L-idopyranoside × 1 Experimental method not declared
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；1.2 M sodium citrate, 0.1 M Tris pH 8.5 in Hampton sandwich box set-ups. Drops were 150-250 uL and we set-up in a 1:1 ratio. To get the complex with SGC ligand we did "dry co-crystallization".
Resolution not provided
6GDC Human Carbonic Anhydrase II in complex with Benzenesulfonamide Deposited 2018-04-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 MBO MERCURIBENZOIC ACID × 1 BGC beta-D-glucopyranose × 1 FB2 benzenesulfonamide × 2 GLC alpha-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；291 K；Ammoniumsulfate 2.70 M, pH=7.8, saturated with para-Chloromercurybenzoic acid
Resolution 1.08 Å R-free 0.130
6GM9 Human Carbonic Anhydrase II in complex with 4-Methylbenzenesulfonamide Deposited 2018-05-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 BGC beta-D-glucopyranose × 2 4J8 4-methylbenzenesulfonamide × 2 MBO MERCURIBENZOIC ACID × 1 GLC alpha-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammoniumsulfate 2.70 M, pH = 7.8, saturated with p-Chloromercurybenzoic acid
Resolution 1.09 Å R-free 0.118
6GOT Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(phenethylthio)benzenesulfonamide Deposited 2018-06-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 2 F6W 4-(2-phenylethylsulfanyl)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；296 K；1.5 M sodium citrate, Tris 100 mM
Resolution 1.56 Å R-free 0.223
6GXB Carbonic Anhydrase CAIX mimic in complex with inhibitor JS13 Deposited 2018-06-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 FF5 ~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；protein 25 mg/mL, 1.6M sodium citrate, 50mM Tris H2SO4 pH 7.8
Resolution 1.35 Å R-free 0.154
6GXE Carbonic Anhydrase CAIX mimic in complex with inhibitor JS14 Deposited 2018-06-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 FFH 3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Complex was prepared by adding 1-fold molar excess of inhibitor (dissolved in pure DMSO) to 25 mg/mL protein solution in water. 2 uL of complex solution were mixed with 1 uL of precipitant solution containing 1.6M sodium citrate, 50mM Tris H2SO4 pH 7.8
Resolution 1.30 Å R-free 0.154
6H29 HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH BENZYL CARBAMATE Deposited 2018-07-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 FK8 (phenylmethyl) carbamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.3 M sodium citrate, 60 mM Tris-HCl
Resolution 1.46 Å R-free 0.184
6H2Z The crystal structure of human carbonic anhydrase II in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide. Deposited 2018-07-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 FKE 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；sodium citrate 1.3M, Tris-HCl 0.1 M, pH 8.5
Resolution 1.94 Å R-free 0.214
6H33 The crystal structure of human carbonic anhydrase II in complex with 4-(4-phenyl)-4-hydroxy-1-piperidine-1-carbonyl)benzenesulfonamide. Deposited 2018-07-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 FKQ 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；sodium citrate 1.3 M, Tris-HCl 0.1 M, pH 8.5
Resolution 1.58 Å R-free 0.194
6H34 The crystal structure of human carbonic anhydrase II in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide. Deposited 2018-07-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 FKK 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；Sodium citrate 1.3 M, Tris-HCl 0.1 M pH 8.5
Resolution 1.55 Å R-free 0.206
6H3Q Crystal structure of human carbonic anhydrase II in complex with the 4-(5-(chloromethyl)-1,3-selenazol-2-yl)benzenesulfonamide Deposited 2018-07-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 FMH 4-[5-(chloromethyl)-1,3-selenazol-2-yl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；296 K；1.5 M sodium citrate, Tris 50 mM
Resolution 1.31 Å R-free 0.207
6H6S Sad phasing on nickel-substituted human carbonic anhydrase II Deposited 2018-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；100 mM HEPES, 2.9 M ammonium sulfate
Resolution 1.45 Å R-free 0.204
6H6S Sad phasing on nickel-substituted human carbonic anhydrase II Deposited 2018-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–260（259 aa）
Not recorded NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；100 mM HEPES, 2.9 M ammonium sulfate
Resolution 1.45 Å R-free 0.204
6HD2 Active-site conformational dynamics of carbonic anhydrase II under native conditions: An NMR perspective Deposited 2018-08-17 Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 SOLUTION NMR
NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 100；Pressure 1
NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 100；Pressure 1
NMR sample composition 0.5 mM [U-13C; U-15N] hCAII, 0.5 mM [U-13C; U-15N]2H hCAII, 0.6 mM [U-100% 15N] hCAII, 0.6 mM [U-100% 13C] hCAII, 1 mM hCAII, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.5 mM [U-100% 13C; U-100% 15N] hCAII, 0.5 mM [U-99% 13C; U-99% 15N] hCAII, 0.5 mM [U-99% 15N] hCAII, 0.6 mM [U-13C; U-15N; U-2H] hCAII, 0.6 mM [U-10% 13C] hCAII, 100% D2O | 100% D2O
Resolution not provided
6HQX Human Carbonic Anhydrase II in complex with 4-Ethylbenzenesulfonamide Deposited 2018-09-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 BGC beta-D-glucopyranose × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 HG MERCURY (II) ION × 1 4JC 4-ethylbenzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.70 M, pH = 7.8, saturated with p-Chloromercuribenzoic acid
Resolution 1.10 Å R-free 0.139
6HR3 Human Carbonic Anhydrase II in complex with 4-Propylbenzenesulfonamide Deposited 2018-09-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 BGC beta-D-glucopyranose × 1 MBO MERCURIBENZOIC ACID × 1 HG MERCURY (II) ION × 1 4JE 4-propylbenzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammoniumsulfate 2.70 M, pH = 7.8, saturated with para-Chloromercuribenzoic acid.
Resolution 1.02 Å R-free 0.145
6HX5 Selenols: a new class of Carbonic Anhydrase inhibitors Deposited 2018-10-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GXE benzeneselenol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；296 K；1.5 M sodium citrate, Tris 50 mM
Resolution 1.44 Å R-free 0.210
6HXD Human Carbonic Anhydrase II in complex with 4-Butylbenzenesulfonamide Deposited 2018-10-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 BGC beta-D-glucopyranose × 1 MBO MERCURIBENZOIC ACID × 1 HG MERCURY (II) ION × 1 6YP 4-butylbenzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammoniumsulfate 2.70 M, pH 0 7.8, staurated para-Chloromercuribenzoic acid.
Resolution 1.12 Å R-free 0.131
6HZX Protein-aromatic foldamer complex crystal structure Deposited 2018-10-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 4–260（257 aa） Fragment：lyase
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6；293 K；Ammonium sulfate 0.2M, sodium acetate 0.1M, ph 6.0, PEG 4000 16%, sodium azide 3 mM. HCA 0.3 mM, foldamere 0.3 mM.
Resolution 2.91 Å R-free 0.210
6HZX Protein-aromatic foldamer complex crystal structure Deposited 2018-10-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 4–260（257 aa） Fragment：lyase
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6；293 K；Ammonium sulfate 0.2M, sodium acetate 0.1M, ph 6.0, PEG 4000 16%, sodium azide 3 mM. HCA 0.3 mM, foldamere 0.3 mM.
Resolution 2.91 Å R-free 0.210
6I0W Human Carbonic Anhydrase II in complex with 4-Methoxybenzenesulfonamide Deposited 2018-10-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 2 MBO MERCURIBENZOIC ACID × 1 BGC beta-D-glucopyranose × 2 GLC alpha-D-glucopyranose × 1 M4S 4-methoxybenzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammoniumsulfate 2.70 M, pH = 7.8, saturated with para-Chloromercuribenzoic acid.
Resolution 1.04 Å R-free 0.132
6I1U Human Carbonic Anhydrase II in complex with 4-Ethoxybenzenesulfonamide Deposited 2018-10-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 BGC beta-D-glucopyranose × 1 HG MERCURY (II) ION × 1 GLC alpha-D-glucopyranose × 1 3W8 4-ethoxybenzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammoniumsulfate 2.70 M, pH = 7.8, saturated with para-Chloromercuribenzoic acid.
Resolution 1.08 Å R-free 0.133
6I2F Human Carbonic Anhydrase II in complex with 4-Propoxybenzenesulfonamide Deposited 2018-11-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 2 MBO MERCURIBENZOIC ACID × 1 BGC beta-D-glucopyranose × 1 3W6 4-propoxybenzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammoniumsulfate 2.70 M, pH = 7.8, saturated with para-Chloromercuribenzoic acid.
Resolution 1.20 Å R-free 0.139
6I3E Human Carbonic Anhydrase II in complex with 4-Butylbenzenesulfonamide Deposited 2018-11-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 NA SODIUM ION × 2 HG MERCURY (II) ION × 1 MBO MERCURIBENZOIC ACID × 1 CIT CITRIC ACID × 1 H1Z 4-butoxybenzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Trisodium citrate dihydrate 1.40 M, Tris 0.1 M, pH = 7.8, saturated with para-Chloromercuribenzoic acid.
Resolution 1.07 Å R-free 0.146
6IC2 Polypharmacology of Epacadostat: a Potent and Selective Inhibitor of the Tumor Associated Carbonic Anhydrases IX and XII Deposited 2018-12-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 BBJ N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；296 K；1.7 M sodium citrate, 50 mM Tris pH 8.0
Resolution 1.15 Å R-free 0.268
6KLZ Human Carbonic Anhydrase II V143I variant 00 atm CO2 Deposited 2019-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：V143I ZN ZINC ION × 1 GOL GLYCEROL × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.3 M sodium citrate, 100 mM Tris-HCl
Resolution 0.90 Å R-free 0.121
6KM0 Human Carbonic Anhydrase II V143I variant 07 atm CO2 Deposited 2019-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：V143I ZN ZINC ION × 1 GOL GLYCEROL × 1 BCT BICARBONATE ION × 1 CO2 CARBON DIOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.3 M sodium citrate, 100 mM Tris-HCl
Resolution 0.93 Å R-free 0.122
6KM1 Human Carbonic Anhydrase II V143I variant 13 atm CO2 Deposited 2019-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：V143I ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 2 GOL GLYCEROL × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.3 M sodium citrate, 100 mM Tris-HCl
Resolution 1.05 Å R-free 0.121
6KM2 Human Carbonic Anhydrase II V143I variant 15 atm CO2 Deposited 2019-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：V143I ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 2 GOL GLYCEROL × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.3 M sodium citrate, 100 mM Tris-HCl
Resolution 0.90 Å R-free 0.122
6KM3 Human Carbonic Anhydrase II native 00 atm CO2 Deposited 2019-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 100 mM Tris-HCl
Resolution 1.15 Å R-free 0.128
6KM4 Human Carbonic Anhydrase II native 07 atm CO2 Deposited 2019-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 100 mM Tris-HCl
Resolution 1.15 Å R-free 0.124
6KM5 Human Carbonic Anhydrase II native 13 atm CO2 Deposited 2019-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 100 mM Tris-HCl
Resolution 1.15 Å R-free 0.129
6KM6 Human Carbonic Anhydrase II native 15 atm CO2 Deposited 2019-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 100 mM Tris-HCl
Resolution 1.15 Å R-free 0.134
6LUU apo- Carbonic Anhydrase II pH 7.8 0 atm CO2 Deposited 2020-02-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.138
6LUV apo- Carbonic Anhydrase II pH 7.8 20 atm CO2 Deposited 2020-02-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 CO2 CARBON DIOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.148
6LUW Zn- Carbonic Anhydrase II pH 7.8 0 atm CO2 Deposited 2020-02-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.141
6LUX Zn- Carbonic Anhydrase II pH 7.8 20 atm CO2 Deposited 2020-02-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.142
6LUY Zn- Carbonic Anhydrase II pH 11.0 0 atm CO2 Deposited 2020-02-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.131
6LUZ Zn- Carbonic Anhydrase II pH 11.0 20 atm CO2 Deposited 2020-02-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.127
6LV1 Co- Carbonic Anhydrase II pH 7.8 0 atm CO2 Deposited 2020-02-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 CO COBALT (II) ION × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.150
6LV2 Co- Carbonic Anhydrase II pH 7.8 20 atm CO2 Deposited 2020-02-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO2 CARBON DIOXIDE × 1 GOL GLYCEROL × 1 CO COBALT (II) ION × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.139
6LV3 Co- Carbonic Anhydrase II pH 11.0 0 atm CO2 Deposited 2020-02-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 CO COBALT (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.149
6LV4 Co- Carbonic Anhydrase II pH 11.0 20 atm CO2 Deposited 2020-02-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO2 CARBON DIOXIDE × 2 GOL GLYCEROL × 1 CO COBALT (II) ION × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.139
6LV5 Ni- Carbonic Anhydrase II pH 7.8 0 atm CO2 Deposited 2020-02-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.141
6LV6 Ni- Carbonic Anhydrase II pH 7.8 20 atm CO2 Deposited 2020-02-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO2 CARBON DIOXIDE × 1 GOL GLYCEROL × 1 NI NICKEL (II) ION × 2 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.138
6LV7 Ni- Carbonic Anhydrase II pH 11.0 0 atm CO2 Deposited 2020-02-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.139
6LV8 Ni- Carbonic Anhydrase II pH 11.0 20 atm CO2 Deposited 2020-02-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO2 CARBON DIOXIDE × 1 GOL GLYCEROL × 1 NI NICKEL (II) ION × 2 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.136
6LV9 Cu- Carbonic Anhydrase II pH 7.8 0 atm CO2 Deposited 2020-02-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 CU COPPER (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.144
6LVA Cu- Carbonic Anhydrase II pH 7.8 20 atm CO2 Deposited 2020-02-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO2 CARBON DIOXIDE × 1 GOL GLYCEROL × 1 CU COPPER (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.142
6MBV Carbonic Anhydrase II in complex with Nicotinic Acid Deposited 2018-08-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 NIO NICOTINIC ACID × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M NaCitrate, 50 mM Tris
Resolution 1.70 Å R-free 0.177
6MBY Carbonic Anhydrase II in complex with Ferulic Acid Deposited 2018-08-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 FER 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M NaCitrate, 50 mM Tris
Resolution 1.50 Å R-free 0.174
6NJ2 thermostable carbonic anhydrase II variant with tetrazine 2.0 at site 186 Deposited 2019-01-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Mutation：A64T, L99H, K153N, L223S, L239P, A247T Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；0.2 M AMMONIUM SULFATE, 30% PEG 4000, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 278K
Resolution 1.50 Å R-free 0.196
6NJ2 thermostable carbonic anhydrase II variant with tetrazine 2.0 at site 186 Deposited 2019-01-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–260（258 aa）
Mutation：A64T, L99H, K153N, L223S, L239P, A247T Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；0.2 M AMMONIUM SULFATE, 30% PEG 4000, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 278K
Resolution 1.50 Å R-free 0.196
6NJ3 Thermostable variant of human carbonic anhydrase with ordered tetrazine 2.0 at site 233 Deposited 2019-01-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Mutation：A64T, L99H, K153N, L223S, L239P, A247T Non-standard monomer：Yes (specific site not provided by mmCIF) ACT ACETATE ION × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；0.2 M AMMONIUM ACETATE, 0.1 M SODIUM ACETATE TRIHYDRATE PH 4.6, 30% PEG 4000, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 278K
Resolution 1.01 Å R-free 0.125
6NJ5 Thermostable variant of human carbonic anhydrase II with disordered tetrazine 2.0 at site 233 Deposited 2019-01-02 Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Mutation：A64T, L99H, K153N, L223S, L239P, A247T Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；0.2 M SODIUM CHLORIDE, 0.1 M TRIS PH 8.5, 25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 278K
Resolution 1.25 Å R-free 0.206
6NJ6 Thermostable variant of human carbonic anhydrase with tetrazine 2.0 at site 186 reacted with sTCO in crystallo Deposited 2019-01-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Mutation：A64T, L99H, K153N, L223S, L239P, A247T Non-standard monomer：Yes (specific site not provided by mmCIF) MOH METHANOL × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 3 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；0.2 M AMMONIUM SULFATE, 30% PEG 4000, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 278K
Resolution 1.60 Å R-free 0.193
6NJ6 Thermostable variant of human carbonic anhydrase with tetrazine 2.0 at site 186 reacted with sTCO in crystallo Deposited 2019-01-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–260（258 aa）
Mutation：A64T, L99H, K153N, L223S, L239P, A247T Non-standard monomer：Yes (specific site not provided by mmCIF) MOH METHANOL × 1 SO4 SULFATE ION × 3 GOL GLYCEROL × 2 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；0.2 M AMMONIUM SULFATE, 30% PEG 4000, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 278K
Resolution 1.60 Å R-free 0.193
6NLV Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines Deposited 2019-01-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S,N67Q,E69T,I91L,F131V,K170E,L204A ZN ZINC ION × 1 KRY 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M Sodium citrate, 50 mM Tris HCl, pH 7.8
Resolution 1.79 Å R-free 0.255
6NM0 Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines Deposited 2019-01-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 KRY 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M Sodium citrate, 50 mM Tris-HCl, pH 7.8
Resolution 1.44 Å R-free 0.180
6ODZ Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects Deposited 2019-03-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 M8J 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-sulfamoylphenyl)acetamide × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；200 nL 7 mg/mL protein + 200 nL reservoir (50 mM Tris, pH 8.0-8.2, 2.5-2.8 M ammonium sulfate)
Resolution 1.30 Å R-free 0.145
6OE0 Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects Deposited 2019-03-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 M8S 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；200 nL 7 mg/mL protein + 200 nL reservoir (50 mM Tris, pH 8.0-8.2, 2.5-2.8 M ammonium sulfate)
Resolution 1.30 Å R-free 0.239
6OE1 Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects Deposited 2019-03-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 M8V 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；200 nL 7 mg/mL protein + 200 nL reservoir (50 mM Tris, pH 8.0-8.2, 2.5-2.8 M ammonium sulfate)
Resolution 1.45 Å R-free 0.166
6OTI Carbonic Anhydrase IX mimic complexed with ureic benzene sulfonamide MB9-561B Deposited 2019-05-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 N84 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M Sodium Citrate, 50mM Tris-HCL, pH 7.8
Resolution 2.00 Å R-free 0.254
6OTK Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB10-596B Deposited 2019-05-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 N7S 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M Sodium Citrate, 50mM Tris-HCl, pH 7.8
Resolution 1.12 Å R-free 0.173
6OTM Carbonic Anhydrase IX mimic complexed with ureic benzene sulfonamide MB10-586B Deposited 2019-05-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 N8A 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M Sodium Citrate, 50mM Tris-HCl, pH 7.8
Resolution 1.31 Å R-free 0.179
6OTO Carbonic Anhydrase II complexed with ureic benzene sulfonamide MB9-561B Deposited 2019-05-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 N84 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M Sodium Citrate, 50mM Tris Hal, pH7.8
Resolution 1.50 Å R-free 0.191
6OTP Carbonic Anhydrase II complexed with ureic benzene sulfonamide MB10-586B Deposited 2019-05-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 N8A 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M sodium citrate, 50mM Tris-JCl, pH 7.8
Resolution 1.47 Å R-free 0.185
6OTQ Carbonic Anhydrase II complexed with ureic benzene sulfonamide MB10-596B Deposited 2019-05-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 N7S 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide × 1 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M sodium citrate, 50mM Tris-HCl, pH 7.8
Resolution 1.47 Å R-free 0.185
6OUB Carbonic Anhydrase II complexed with benzene sulfonamide MB11-694B Deposited 2019-05-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 N7M 4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide × 2 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M sodium citrate, 50mM Tris-HCl, pH7.8
Resolution 1.42 Å R-free 0.193
6OUD Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB11-694B Deposited 2019-05-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 N7M 4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide × 2 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M sodium citrate, 50mM Tris Hal, pH 7.8
Resolution 1.26 Å R-free 0.191
6OUE Carbonic Anhydrase II complexed with benzene sulfonamide MB11-707A Deposited 2019-05-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 N7A 4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M sodium citrate, 50mM Tris HCl, pH 7.8
Resolution 1.42 Å R-free 0.195
6OUF Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB11-707A Deposited 2019-05-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 N7A 4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.6M sodium citrate, 50mM Tris HCl, pH 7.8
Resolution 1.36 Å R-free 0.175
6OUH Carbonic Anhydrase II mimic complexed with benzene sulfonamide MB11-710A Deposited 2019-05-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 N7D 3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.6M sodium citrate, 50mM Tris HCl, pH 7.8
Resolution 1.45 Å R-free 0.194
6OUI Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB11-710A Deposited 2019-05-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 N7D 3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide × 2 GOL GLYCEROL × 4 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.6M sodium citrate, 50mM Tris HCl, pH 7.8
Resolution 1.53 Å R-free 0.207
6OUJ Carbonic Anhydrase II complexed with benzene sulfonamide MB11-689A Deposited 2019-05-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 N7V 3-[(1S)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.6M sodium citrate, 50mM Tris HCl, pH 7.8
Resolution 1.47 Å R-free 0.181
6OUK Carbonic Anhydrase II complexed with benzene sulfonamide MB10-580B Deposited 2019-05-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 N7J (2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.6M sodium citrate, 50mM Tris HCl, pH 7.8
Resolution 1.50 Å R-free 0.186
6OUM Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB10-580B Deposited 2019-05-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 N7J (2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.6M sodium citrate, 50mM Tris HCl, pH 7.8
Resolution 1.56 Å R-free 0.303
6PDV Cu-Carbonic Anhydrase II, A Nitrite Reductase Deposited 2019-06-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CU COPPER (II) ION × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 NO2 NITRITE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M NaCitrate, 50mM Tris
Resolution 1.23 Å R-free 0.174
6PEA High Resolution Apo Carbonic Anhydrase II Deposited 2019-06-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M NaCitrate, 50mM Tris
Resolution 1.36 Å R-free 0.164
6PGX Synthesis of novel tellurides bearing benzensulfonamide moiety as carbonic anhydrase inhibitors with antitumor activity Deposited 2019-06-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 OJ4 4-[(2S)-2-hydroxy-3-{[(2R)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide × 3 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；250 nL 7.5 mg/mL protein + 225 nL well solution (2.5-3.0 M ammonium sulfate, 100 mM Tris buffer, pH 8.0-8.5) + 25 nL microseeds
Resolution 1.36 Å R-free 0.152
6Q3O PROTEIN-AROMATIC FOLDAMER COMPLEX CRYSTAL STRUCTURE Deposited 2018-12-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 2–260（259 aa）
Chain C 2–260（259 aa）
Not recorded ZN ZINC ION × 15 GOL GLYCEROL × 1 4SO 4-sulfamoylbenzoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；Zn acetate 0.2 M, Na cacodylate 0.1 M, PEG 8000 18%, NaN3 3mM
Resolution 2.23 Å R-free 0.253
6Q3O PROTEIN-AROMATIC FOLDAMER COMPLEX CRYSTAL STRUCTURE Deposited 2018-12-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 2–260（259 aa）
Chain D 2–260（259 aa）
Not recorded ZN ZINC ION × 14 4SO 4-sulfamoylbenzoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；Zn acetate 0.2 M, Na cacodylate 0.1 M, PEG 8000 18%, NaN3 3mM
Resolution 2.23 Å R-free 0.253
6Q9T Protein-aromatic foldamer complex crystal structure Deposited 2018-12-18 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；Ammonium sulfate 0.2 M, Sodium acetate 0.1 M pH 5.7, PEG 4000 14%, Sodium azide 3 mM
Resolution 2.68 Å R-free 0.260
6QEB Assessment of a large enzyme-drug complex by proton-detected solid-state NMR without deuteration Deposited 2019-01-07 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 AZM 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE × 1 SOLID-STATE NMR
NMR measurement conditions pH 7.5；288 K；Ionic strength (raw mmCIF value) 50；Pressure 1
NMR sample composition 1 mM [U-99% 13C; U-99% 15N] hCAII, 95% H2O/5% D2O | 95% H2O/5% D2O
Resolution not provided
6QFU Human carbonic anhydrase II with bound IrCp* complex (cofactor 7) to generate an artificial transfer hydrogenase (ATHase) Deposited 2019-01-10 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded J0K 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide × 1 ZN ZINC ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.9；293 K；2.6 M ammonium sulfate, 50 mM Tris-H2SO4
Resolution 1.80 Å R-free 0.186
6QFV Human carbonic anhydrase II with bound IrCp* complex (cofactor 8) to generate an artificial transfer hydrogenase (ATHase) Deposited 2019-01-10 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded J0N 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide × 1 ZN ZINC ION × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.9；293 K；2.6 M ammonium sulfate, 50 mM Tris-H2SO4
Resolution 1.45 Å R-free 0.167
6QFW Human carbonic anhydrase II with bound IrCp* complex (cofactor 9) to generate an artificial transfer hydrogenase (ATHase) Deposited 2019-01-10 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded JR8 4-[3-(8-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8$l^{4}-diaza-9$l^{7}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)propyl]benzenesulfonamide × 1 ZN ZINC ION × 1 SO4 SULFATE ION × 1 IR IRIDIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.9；293 K；2.6 M ammonium sulfate, 50 mM Tris-H2SO4
Resolution 1.20 Å R-free 0.178
6QFX Human carbonic anhydrase II with bound IrCp* complex (cofactor 10) to generate an artificial transfer hydrogenase (ATHase) Deposited 2019-01-10 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded JR3 2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)-~{N}-(4-sulfamoylphenyl)ethanamide × 1 ZN ZINC ION × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.9；293 K；2.6 M ammonium sulfate, 50 mM Tris-H2SO4
Resolution 1.32 Å R-free 0.197
6QL1 Crystal structure of chimeric carbonic anhydrase VI with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide Deposited 2019-01-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：human carbonic anhydrase II
Mutation：A65T, N67Q, F130Y, V134Q, L203T ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 1 BCN BICINE × 1 V50 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer was 0.1M sodium BICINE (pH 9), 0.2M ammonium sulfate and 2M sodium malonate (pH 7)
Resolution 1.42 Å R-free 0.186
6QL2 Crystal structure of chimeric carbonic anhydrase VI with ethoxzolamide. Deposited 2019-01-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：human carbonic anhydrase II
Mutation：A65T, N67Q, F130Y, V134Q, L203T ZN ZINC ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 DMS DIMETHYL SULFOXIDE × 1 BCN BICINE × 1 EDO 1,2-ETHANEDIOL × 1 EZL 6-ethoxy-1,3-benzothiazole-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer was 0.1M sodium BICINE (pH 9), 0.2M ammonium sulfate and 2M sodium malonate (pH 7)
Resolution 1.30 Å R-free 0.157
6QL3 Crystal structure of chimeric carbonic anhydrase VI with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide Deposited 2019-01-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：human carbonic anhydrase II
Mutation：A65T, N67Q, F130Y, V134Q, L203T ZN ZINC ION × 1 V14 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide × 1 DMS DIMETHYL SULFOXIDE × 2 PEG DI(HYDROXYETHYL)ETHER × 2 MLA MALONIC ACID × 1 EDO 1,2-ETHANEDIOL × 1 BEZ BENZOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer was 0.1M sodium BICINE (pH 9), 0.2M ammonium sulfate and 2M sodium malonate (pH 7)
Resolution 1.35 Å R-free 0.156
6R6F Crystal structure of human carbonic anhydrase isozyme II with 4-chloro-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide Deposited 2019-03-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：human carbonic anhydrase II
Not recorded ZN ZINC ION × 1 EA3 4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer: 0.1M sodium bicine (pH 9), 0.2M ammonium sulfate and 2M sodium malonate (pH 7)
Resolution 1.20 Å R-free 0.185
6R6J Crystal structure of human carbonic anhydrase isozyme II with 2-(benzenesulfonyl)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide Deposited 2019-03-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：human carbonic anhydrase II
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 JTW 4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer: 0.1M sodium bicine (pH 9), 0.2M ammonium sulfate and 2M sodium malonate (pH 7)
Resolution 1.55 Å R-free 0.223
6RFH Human Carbonic Anhydrase II in complex with 4-Carboxybenzenesulfonamide Deposited 2019-04-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 BGC beta-D-glucopyranose × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 4SO 4-sulfamoylbenzoic acid × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammoniumsulfate 2.7 M, TRIS 0.1 M, pH = 7.8, saturated with para-chloromercuribenzoic acid and 4-carboxybenzenesulfonamide
Resolution 0.97 Å R-free 0.136
6RG3 Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(2-benzylpiperazin-1-yl)benzenesulfonamide Deposited 2019-04-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 K1W 4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；286 K；1.5 M sodium citrate
Resolution 1.32 Å R-free 0.197
6RG4 Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(2-benzyl-4-methylpiperazin-1-yl)benzenesulfonamide Deposited 2019-04-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 2 K45 4-[(3~{S})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；286 K；1.6 sodium citrate
Resolution 1.25 Å R-free 0.200
6RG5 Human Carbonic Anhydrase II in complex with 4-(2-hydroxyethyl)benzenesulfonamide Deposited 2019-04-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 S2O 4-(2-hydroxyethyl)benzenesulfonamide × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 M, Tris 0.1 M, pH = 7.8, saturated with para-Chloromercuribenzenesulfonamide
Resolution 1.09 Å R-free 0.127
6RH4 Human Carbonic Anhydrase II in complex with 4-Nitrobenzenesulfonamide. Deposited 2019-04-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 BGC beta-D-glucopyranose × 2 GLC alpha-D-glucopyranose × 1 4NZ 4-nitrobenzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.40 M, TRIS 0.1 M, pH = 7.8, saturated with para-Chloromercuribenzoic acid
Resolution 0.95 Å R-free 0.117
6RHJ Crystal structure of human carbonic anhydrase isozyme II with 4-(4-benzyl-1,4-diazepane-1-carbonyl)benzenesulfonamide Deposited 2019-04-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 K4H 4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；296 K；1.6 sodium citrate
Resolution 1.44 Å R-free 0.201
6RHK The crystal structure of human carbonic anhydrase II in complex with 4-(3-benzylimidazolidine-1-carbonyl)benzenesulfonamide Deposited 2019-04-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 K4B 4-[3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；296 K；1.6 M sodium citrate
Resolution 1.44 Å R-free 0.175
6RIG Human Carbonic Anhydrase II in complex with 4-Hydroxybenzenesulfonamide Deposited 2019-04-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 2 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 GLC alpha-D-glucopyranose × 1 BGC beta-D-glucopyranose × 1 K4N 4-oxidanylbenzenesulfonamide × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammoniumsulfate 2.7 M, Tris 0.1 M, pH 7.8, saturated with para-Chloromercuribenzoic acid
Resolution 1.00 Å R-free 0.136
6RIT Human Carbonic Anhydrase II in complex with 2-Fluorobenzenesulfonamide Deposited 2019-04-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded BGC beta-D-glucopyranose × 2 HG MERCURY (II) ION × 1 ZN ZINC ION × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 FBV 2-fluorobenzenesulfonamide × 2 GLC alpha-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 M, TRIS 0.1 M, pH = 7.8, saturated with para-Chloromercuribenzoic acid
Resolution 1.01 Å R-free 0.140
6RJJ Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide Deposited 2019-04-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 BGC beta-D-glucopyranose × 1 K5W 2,3-bis(fluoranyl)benzenesulfonamide × 2 GLC alpha-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 M, TRIS 0.1 M, pH = 7.8, saturated with para-Chloromercuribenzoic acid
Resolution 1.06 Å R-free 0.138
6RKN Human Carbonic Anhydrase II in complex with a fluorinated Benzenesulfonamide. Deposited 2019-04-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 FBS 4-FLUOROBENZENESULFONAMIDE × 2 BGC beta-D-glucopyranose × 2 GLC alpha-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 M, TRIS 0.1 M, pH = 7.8, saturated with para-Chloromercuribenzoic acid
Resolution 0.96 Å R-free 0.124
6RL9 Human Carbonic Anhydrase II in complex with 4-Aminobenzenesulfonamide Deposited 2019-05-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 2 SAN SULFANILAMIDE × 3 BGC beta-D-glucopyranose × 2 GLC alpha-D-glucopyranose × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7, TRIS 0.1 M, pH = 7.8, saturated with para-Chloromercuribenzoic acid
Resolution 1.00 Å R-free 0.130
6RM1 Human Carbonic Anhydrase II in complex with fragment. Deposited 2019-05-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 DMS DIMETHYL SULFOXIDE × 1 ZN ZINC ION × 1 45L 3-methylbenzohydrazide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 M, TRIS 0.1 M, pH = 7.8, saturated with para-Chloromercuribenzoic acid
Resolution 1.68 Å R-free 0.181
6RMP Human Carbonic Anhydrase II in complex with fragment. Deposited 2019-05-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 DMS DIMETHYL SULFOXIDE × 1 47S 3-(dimethylamino)benzohydrazide × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 1.22 Å R-free 0.162
6RMX Human Carbonic anhydrase II mutant T199V bound by 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide Deposited 2019-05-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa） Fragment：Human Carbonic anhydrase II mutant T199V
Mutation：T199V ZN ZINC ION × 1 NA SODIUM ION × 1 5DU 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 BEZ BENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.60 Å R-free 0.213
6RMY Human Carbonic anhydrase II mutant T199V bound by 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide Deposited 2019-05-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：T199V ZN ZINC ION × 1 V14 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 BCN BICINE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer was 0.1M sodium BICINE (pH 9) and 2M sodium malonate (pH 7).
Resolution 1.50 Å R-free 0.205
6RNP Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide Deposited 2019-05-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 KBB 2,5-bis(fluoranyl)benzenesulfonamide × 2 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 BGC beta-D-glucopyranose × 2 GLC alpha-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 1.07 Å R-free 0.136
6ROB Human Carbonic Anhydrase II in complex with 4-cyanobenzenesulfonamide Deposited 2019-05-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded BGC beta-D-glucopyranose × 2 ZN ZINC ION × 1 HG MERCURY (II) ION × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 KBZ 4-cyanobenzenesulfonamide × 2 GLC alpha-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 0.93 Å R-free 0.120
6ROE Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide Deposited 2019-05-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded BGC beta-D-glucopyranose × 2 GLC alpha-D-glucopyranose × 1 ZN ZINC ION × 1 HG MERCURY (II) ION × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 FBT 2,6-DIFLUOROBENZENESULFONAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 0.94 Å R-free 0.118
6ROF Human Carbonic anhydrase II mutant T199V bound by 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide Deposited 2019-05-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：Human Carbonic anhydrase II mutant T199V
Mutation：T199V ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 BCN BICINE × 1 V90 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.50 Å R-free 0.192
6RQI Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide Deposited 2019-05-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 BGC beta-D-glucopyranose × 2 GLC alpha-D-glucopyranose × 1 FBW 3-fluorobenzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.25 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 0.95 Å R-free 0.130
6RRG Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide Deposited 2019-05-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 BGC beta-D-glucopyranose × 2 GLC alpha-D-glucopyranose × 1 FBU 3,5-DIFLUOROBENZENESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 1.13 Å R-free 0.140
6RRI Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide Deposited 2019-05-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 KFH 2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide × 2 GLC alpha-D-glucopyranose × 1 BGC beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 1.10 Å R-free 0.139
6RS5 Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide Deposited 2019-05-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 BGC beta-D-glucopyranose × 1 KGK 2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide × 2 GLC alpha-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 1.07 Å R-free 0.132
6RSZ Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide Deposited 2019-05-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 BGC beta-D-glucopyranose × 1 KJ5 4-ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 1.09 Å R-free 0.129
6RVF Crystal structure of hCA II in complex with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-N'-phenyl Deposited 2019-05-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 KKH 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-3-phenyl-urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M sodium citrate, 0.1 M Tris-HCl, pH 8.5
Resolution 2.07 Å R-free 0.229
6RVK Crystal structure of hCA II in complex with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-N'-(phenylmethyl)- Deposited 2019-05-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 R29 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(phenylmethyl)urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M sodium citrate, 0.1 M Tris-HCl, pH 8.5
Resolution 1.58 Å R-free 0.197
6RVL Crystal structure of hCA II with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-?N'-phenyl- Deposited 2019-05-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 KKE 1-[1,1-bis(oxidanyl)-3~{H}-2,1-benzoxaborol-1-ium-6-yl]-3-phenyl-thiourea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M sodium citrate, 0.1 M Tris-HCl, pH 8.5
Resolution 1.72 Å R-free 0.209
6RW1 Crystal structure of hCA II in complex with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-N'-(phenylmethyl)- Deposited 2019-06-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 KL5 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-4-yl]-3-(phenylmethyl)thiourea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M sodium citrate, 0.1 M Tris-HCl, pH 8.5
Resolution 1.70 Å R-free 0.205
6RZX Carbonic Anhydrase CAIX mimic in complex with inhibitor FBSA Deposited 2019-06-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 KPQ 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.00 Å R-free 0.150
6S03 Carbonic Anhydrase CAIX mimic in complex with inhibitor I39LT379 Deposited 2019-06-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 KPW 4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.38 Å R-free 0.196
6S9G Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide Deposited 2019-07-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 BGC beta-D-glucopyranose × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 HG MERCURY (II) ION × 1 L1Q 2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；Ammonium sulfate 2.7 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 1.14 Å R-free 0.147
6S9Z Expression tag modified N-terminus of human Carbonic Anhydrase II covalently linked to fragment Deposited 2019-07-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded HG MERCURY (II) ION × 1 ZN ZINC ION × 1 NA SODIUM ION × 2 DMS DIMETHYL SULFOXIDE × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 VKL 3-[3,4-bis(fluoranyl)phenyl]-5-methyl-1$l^{4},4,5$l^{4},7-tetrazabicyclo[4.3.0]nona-1(6),2,4-triene × 1 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 M
Resolution 0.95 Å R-free 0.137
6SAC N-terminal expression tag remainder of human Carbonic Anhydrase II covalently modified by fragment Deposited 2019-07-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded NA SODIUM ION × 2 ZN ZINC ION × 1 HG MERCURY (II) ION × 1 DMS DIMETHYL SULFOXIDE × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 PG4 TETRAETHYLENE GLYCOL × 2 47J 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 Mte, Tris 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 1.02 Å R-free 0.142
6SAS Human Carbonic Anhydrase II in complex with fragment. Deposited 2019-07-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded DMS DIMETHYL SULFOXIDE × 1 ZN ZINC ION × 1 HG MERCURY (II) ION × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 463 N-[3-(aminomethyl)phenyl]acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 1.10 Å R-free 0.149
6SAY Human Carbonic Anhydrase II in complex with fragment. Deposited 2019-07-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 3 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 DMS DIMETHYL SULFOXIDE × 1 L3Q (8~{a}~{S})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 0.95 Å R-free 0.138
6SB7 Human Carbonic Anhydrase II in complex with fragment. Deposited 2019-07-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded HG MERCURY (II) ION × 2 ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 NA SODIUM ION × 2 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 8K2 5-chloranylthiophene-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 1.09 Å R-free 0.137
6SBH Human Carbonic Anhydrase II in complex with 4-pentylbenzenesulfonamide. Deposited 2019-07-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 L4K 4-pentylbenzenesulfonamide × 1 BGC beta-D-glucopyranose × 2 GLC alpha-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 0.95 Å R-free 0.134
6SBL Human Carbonic Anhydrase II in complex with 4-hexylbenzenesulfonamide Deposited 2019-07-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded DMS DIMETHYL SULFOXIDE × 1 NA SODIUM ION × 2 ZN ZINC ION × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 L4Q 4-hexylbenzenesulfonamide × 1 FLC CITRATE ANION × 1 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Sodium citrate 1.40 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 0.94 Å R-free 0.137
6SBM Human Carbonic Anhydrase II in complex with 4-(pentyloxy)benzenesulfonamide Deposited 2019-07-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 NA SODIUM ION × 2 L4W 4-pentoxybenzenesulfonamide × 2 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 FLC CITRATE ANION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Sodium citrate 1.4 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 0.95 Å R-free 0.128
6SD7 Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide and its dimer Deposited 2019-07-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 L7T 2,3,4,5,6-pentafluorobenzenesulfonamide × 1 SXG 2,3,4,5,6-pentafluoro-N-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide × 1 BGC beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 1.05 Å R-free 0.139
6SDH Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 5 mM Deposited 2019-07-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 HG MERCURY (II) ION × 1 0VV N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 1.04 Å R-free 0.147
6SDI Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 0.01 mM Deposited 2019-07-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded HG MERCURY (II) ION × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 0VV N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 1.03 Å R-free 0.141
6SDJ Human Carbonic Anhydrase II in complex with (R)-1-aminopropan-2-ol Deposited 2019-07-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 J3K (2~{R})-1-azanylpropan-2-ol × 1 HG MERCURY (II) ION × 2 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；Ammonium sulfate 2.7 M, TRIS 0.1, saturated with para-Chloromercuribenzoic acid
Resolution 1.02 Å R-free 0.140
6SDL Human Carbonic Anhydrase II in complex with (R)-N-(3-(1H-indol-1-yl)-2-methylpropyl)-4-sulfamoylbenzamide Deposited 2019-07-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 NA SODIUM ION × 1 HG MERCURY (II) ION × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 SBR (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Sodium citrate 1.4 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 1.08 Å R-free 0.154
6SDS HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A SULFONAMIDE INHIBITOR Deposited 2019-07-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 L8N phenyl-(4-sulfamoylphenoxy)phosphinic acid × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.3 M SODIUM CITRATE, 60 mM TRIS-HCL
Resolution 1.26 Å R-free 0.174
6SEY Human Carbonic Anhydrase II in complex with aliphatically substituted benzenesulfonamide Deposited 2019-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 BGC beta-D-glucopyranose × 2 GLC alpha-D-glucopyranose × 1 L9B 4-(4-oxidanylbutyl)benzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Ammonium sulfate 2.7 M, TRIS 0.1 M, saturated para-Chloromercuribenzoic acid
Resolution 1.23 Å R-free 0.125
6SFQ Atomic resolution structure of human Carbonic Anhydrase II in complex with (R)-5-phenyloxazolidine-2,4-dione Deposited 2019-08-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 NA SODIUM ION × 1 DMS DIMETHYL SULFOXIDE × 1 7Q1 (5R)-5-phenyl-1,3-oxazolidine-2,4-dione × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 HG MERCURY (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Sodium citrate 1.4 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 1.00 Å R-free 0.147
6SFU Human Carbonic Anhydrase II in complex with a furan-containing benzenesulfonamide Deposited 2019-08-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 DMS DIMETHYL SULFOXIDE × 1 NA SODIUM ION × 2 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 LBQ 4-(furan-2-ylmethylamino)benzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Sodium citrate 1.4 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 1.04 Å R-free 0.138
6SG0 Atomic resolution structure of Human Carbonic Anhydrase II in complex with furosemide Deposited 2019-08-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded NA SODIUM ION × 1 ZN ZINC ION × 1 HG MERCURY (II) ION × 2 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 FUN 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Sodium citrate 1.4 M, TRIS 0.1, saturated with para-Chloromercuribenzoic acid
Resolution 1.13 Å R-free 0.145
6SG6 Human Carbonic Anhydrase II in complex with furan-containing benzenesulfonamide Deposited 2019-08-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 BE7 (4-CARBOXYPHENYL)(CHLORO)MERCURY × 1 LC8 4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；Sodium citrate 1.4 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid
Resolution 0.98 Å R-free 0.135
6SX9 Crystal structure of carbonic anhydrase 2 with 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide Deposited 2019-09-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 LWT 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.43 Å R-free 0.179
6SYB Crystal structure of carbonic anhydrase 2 with (3aR,4S,9bS)-4-(2-chloro-4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide Deposited 2019-09-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 LYQ (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 50 mM Tris pH 8.0
Resolution 1.60 Å R-free 0.216
6SYS Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2 Deposited 2019-10-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 LZW (4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 50 mM Tris pH 8.0
Resolution 1.30 Å R-free 0.164
6T4N Human Carbonic anhydrase II bound by 2,4,6-trimethylbenzenesulfonamide Deposited 2019-10-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：Human Carbonic anhydrase II
Not recorded ZN ZINC ION × 1 F1A 2,4,6-trimethylbenzenesulfonamide × 1 BCN BICINE × 1 MJB 2-piperazin-1-ylethanol × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.40 Å R-free 0.196
6T4O Human Carbonic anhydrase II bound by 3,5-dimethylbenzenesulfonamide Deposited 2019-10-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：Human Carbonic anhydrase II
Not recorded ZN ZINC ION × 1 BCN BICINE × 1 DMS DIMETHYL SULFOXIDE × 1 MJ2 3,5-dimethylbenzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.13 Å R-free 0.166
6T4P Human Carbonic anhydrase II bound by napthalene-1-sulfonamide Deposited 2019-10-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：Human Carbonic anhydrase II
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 MHK naphthalene-1-sulfonamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.75 Å R-free 0.199
6T5C Human Carbonic anhydrase II bound by anthracene-9-sulfonamide Deposited 2019-10-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：Human Carbonic anhydrase II
Not recorded ZN ZINC ION × 1 BCN BICINE × 1 DMS DIMETHYL SULFOXIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 2 MJT anthracene-9-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.22 Å R-free 0.153
6T7U Carborane inhibitor of Carbonic Anhydrase IX Deposited 2019-10-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 X33 Carborane inhibitor × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；290 K；50 mM TRIS-HCl 1.6 M Sodium Citrate
Resolution 1.20 Å R-free 0.160
6T81 Human Carbonic anhydrase II bound by 2-Naphthalenesulfonamide. Deposited 2019-10-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa） Fragment：Human Carbonic anhydrase II
Not recorded ZN ZINC ION × 1 MUE naphthalene-2-sulfonamide × 1 BCN BICINE × 1 AZI AZIDE ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1M sodium bicine (pH 9) and 2M sodium malonate (pH 7)
Resolution 0.98 Å R-free 0.172
6T9Z Nidocarborane inhibitor of Carbonic Anhydrase IX Deposited 2019-10-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MYW Nidocarborane × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；290 K；50 mM TRIS-HCl 1.6 M Sodium Citrat
Resolution 1.12 Å R-free 0.160
6U4Q Carbonic anhydrase 2 in complex with SB4197 Deposited 2019-08-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 PX7 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.6 M sodium citrate, 50 mM Tris
Resolution 1.31 Å R-free 0.167
6U4T Carbonic anhydrase 9 in complex with SB4197 Deposited 2019-08-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 PX7 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.6 M NaCitrate, 50 mM Tris
Resolution 1.36 Å R-free 0.173
6UFB Carbonic anhydrase 2 with inhibitor (2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide (11a/D1) Deposited 2019-09-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 2 Q64 (2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；200 nL 7 mg/mL protein + 200 nL reservoir solution (2.5-2.8 M ammonium sulfate, 100 mM Tris, pH 8.5-9.0)
Resolution 1.67 Å R-free 0.186
6UFC Carbonic anhydrase 2 with inhibitor (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide (11d/D4) Deposited 2019-09-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 Q6A (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide × 1 GOL GLYCEROL × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；200 nL 7 mg/mL protein + 200 nL reservoir solution (2.5-2.8 M ammonium sulfate, 100 mM Tris, pH 8.5-9.0)
Resolution 1.32 Å R-free 0.144
6UFD Carbonic anhydrase 2 with inhibitor (2Z)-3-oxo-N-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide (11g/D7) Deposited 2019-09-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 3 Q6D (2Z)-3-oxo-N-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；200 nL 7 mg/mL protein + 200 nL reservoir solution (2.5-2.8 M ammonium sulfate, 100 mM Tris, pH 8.5-9.0)
Resolution 1.48 Å R-free 0.167
6UGN Human Carbonic Anhydrase 2 complexed with SB4-205 Deposited 2019-09-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 Q77 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.6 M sodium citrate, 50 mM Tris
Resolution 1.41 Å R-free 0.173
6UGO Human Carbonic Anhydrase IX-mimic complexed with SB4-205 Deposited 2019-09-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 Q77 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione × 3 CIT CITRIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.6 M sodium citrate, 50 mM Tris
Resolution 1.46 Å R-free 0.203
6UGP Human Carbonic Anhydrase 2 complexed with SB4-206 Deposited 2019-09-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 Q7A 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.6 M sodium citrate, 50 mM Tris
Resolution 1.31 Å R-free 0.167
6UGQ Human Carbonic Anhydrase IX-mimic complexed with SB4-206 Deposited 2019-09-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 Q7A 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；300 K；1.6 M sodium citrate, 50 mM Tris
Resolution 1.30 Å R-free 0.163
6UGR Human Carbonic Anhydrase 2 complexed with SB4-208 Deposited 2019-09-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 Q71 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；300 K；1.6 M sodium citrate, 50 mM Tris
Resolution 1.31 Å R-free 0.165
6UGZ Human Carbonic Anhydrase IX-mimic complexed with SB4-208 Deposited 2019-09-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 Q71 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；300 K；1.6 M sodium citrate, 50 mM Tris
Resolution 1.31 Å R-free 0.173
6UH0 Human Carbonic Anhydrase 2 in complex with SB4-202 Deposited 2019-09-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 PX7 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；300 K；1.6 M sodium citrate, 50 mM Tris
Resolution 1.31 Å R-free 0.164
6UX1 Carbonic Anhydrase II Complexed with Salicylic Acid Deposited 2019-11-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 SAL 2-HYDROXYBENZOIC ACID × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M NaCitrate 50mM Tris pH 7.8
Resolution 1.36 Å R-free 0.167
6UZU Carbonic Anhydrase IX-mimic In Complex WITH U-CH3 Deposited 2019-11-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 6LU 4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide × 1 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.6 M Na-Citrate, 50 mM Tris, pH 7.8
Resolution 1.50 Å R-free 0.184
6VJ3 Carbonic Anhydrase II in complex with pyrimidine-based inhibitor Deposited 2020-01-14 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 QYA 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6 M NaCitrate, 50 mM Tris
Resolution 1.35 Å R-free 0.173
6WKA human carbonic anhydrase II bound to an inhibitor modified with azidothymidine Deposited 2020-04-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 U4V 3'-deoxy-3'-(4-{[(4-sulfamoylphenyl)amino]methyl}-1H-1,2,3-triazol-1-yl)thymidine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；7.5 MG/ML PROTEIN WITH 2.7 M AMMONIUM SULFATE, 100 MM TRIS PH 8.5 AT 8 C
Resolution 1.34 Å R-free 0.166
6WQ4 Carbonic Anhydrase II Complexed with 2-((2-Cyanoethyl)(phenethyl)amino)-N-phenethyl-N-(4-sulfamoylphenethyl)acetamide Deposited 2020-04-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 ZN ZINC ION × 1 U7A N~2~-(2-cyanoethyl)-N,N~2~-bis(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M sodium citrate and 50mM Tris at pH 7.8
Resolution 1.35 Å R-free 0.172
6WQ5 Carbonic Anhydrase II Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(furan-2-ylmethyl)-N-(4-sulfamoylphenethyl)acetamide Deposited 2020-04-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 ZN ZINC ION × 1 U7G N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M sodium citrate and 50mM Tris
Resolution 1.30 Å R-free 0.181
6WQ7 Carbonic Anhydrase II Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide Deposited 2020-04-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 ZN ZINC ION × 1 U6V N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M sodium citrate and 50mM Tris
Resolution 1.30 Å R-free 0.181
6WQ8 Carbonic Anhydrase II Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid Deposited 2020-04-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 ZN ZINC ION × 1 U77 N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M sodium citrate and 50mM tris
Resolution 1.41 Å R-free 0.172
6WQ9 Carbonic Anhydrase II Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid Deposited 2020-04-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 ZN ZINC ION × 1 U7J N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M sodium citrate and 50mM tris
Resolution 1.30 Å R-free 0.173
6XVH carbonic anhydrase with bound arylsulfonamide- boronic acid Deposited 2020-01-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded O3B (4-sulfamoylphenyl)boronic acid × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；Tris, Ammonium sulfate
Resolution 1.80 Å R-free 0.245
6XWZ Carbonic Anhydrase II-mediated hydrolysis of selenolester Deposited 2020-01-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 GXE benzeneselenol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；solution of 1.5-1.7 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.38 Å R-free 0.204
6XXT The crystal structure of hCA II in complex with a 4-(4-aroylpiperazine-1-carbonyl)benzenesulfonamide derivative. Deposited 2020-01-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 1–260（260 aa）
Not recorded ZN ZINC ION × 1 O42 4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；1.2 M sodium citrate 0.1 M Tris-HCl
Resolution 1.05 Å R-free 0.145
6YH4 Crystal structure of chimeric carbonic anhydrase XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide Deposited 2020-03-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67K, I91T, F130A, V134S, L203N ZN ZINC ION × 1 V13 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.30 Å R-free 0.166
6YH5 Crystal structure of chimeric carbonic anhydrase XII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide Deposited 2020-03-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67K, I91T, F130A, V134S, L203N ZN ZINC ION × 1 E1F 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide × 1 BEZ BENZOIC ACID × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.20 Å R-free 0.159
6YH6 Crystal structure of chimeric carbonic anhydrase XII with 2-(Cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide Deposited 2020-03-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67K, I91T, F130A, V134S, L203N ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 OQW 2-(Cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE a nd 3.4M sodium malonate
Resolution 1.40 Å R-free 0.197
6YH7 Crystal structure of chimeric carbonic anhydrase XII with 3-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide Deposited 2020-03-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67K, I91T, F130A, V134S, L203N ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 5EF 3-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.12 Å R-free 0.163
6YH8 Crystal structure of chimeric carbonic anhydrase XII with 2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide Deposited 2020-03-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67K, I91T, F130A, V134S, L203N ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 BCN BICINE × 1 OQT 2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.20 Å R-free 0.172
6YH9 Crystal structure of chimeric carbonic anhydrase XII with 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide Deposited 2020-03-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67K, I91T, F130A, V134S, L203N ZN ZINC ION × 1 WWX 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.55 Å R-free 0.204
6YHA Crystal structure of chimeric carbonic anhydrase XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide Deposited 2020-03-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67K, I91T, F130A, V134S, L203N ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 LML ISOBUTYL MALONIC ACID × 1 3TV 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.25 Å R-free 0.171
6YHB Crystal structure of chimeric carbonic anhydrase XII with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide Deposited 2020-03-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67K, I91T, F130A, V134S, L203N ZN ZINC ION × 1 V50 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.65 Å R-free 0.223
6YHC Crystal structure of chimeric carbonic anhydrase XII with 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide Deposited 2020-03-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67K, I91T, F130A, V134S, L203N ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 WWO 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.28 Å R-free 0.172
6YJ3 Metala-Carborane di-propyl-sulfonamide Deposited 2020-04-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 2 OSW Metala-Carborane di-propyl-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；290 K；50 MM TRIS-HCL, 1.6 M SODIUM CITRATE
Resolution 1.55 Å R-free 0.154
6YKC Metala-Carborane di-ethyl-sulfonamide (trans isomer) in complex with CA IX mimic Deposited 2020-04-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 OY8 Metala-Carborane di-ethyl-sulfonamide × 1 OY5 CA IX mimic × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.20 Å R-free 0.179
6YKH Metala-Carborane di-ethyl-sulfonamide (cis isomer) in complex with CA IX mimic Deposited 2020-04-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 OWK Metala-Carborane di-ethyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.10 Å R-free 0.185
6YMA MicroED structure of acetazolamide-bound human carbonic anhydrase II Deposited 2020-04-08 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 AZM 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE × 1 DMS DIMETHYL SULFOXIDE × 1 ELECTRON CRYSTALLOGRAPHY
cryo-EM buffer pH 8.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.50 Å R-free 0.255
6YMB MicroED structure of human carbonic anhydrase II Deposited 2020-04-08 Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 ELECTRON CRYSTALLOGRAPHY
cryo-EM buffer pH 8.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.50 Å R-free 0.276
6YO2 Meta-Carborane propyl-sulfonamide in complex with CA IX mimic Deposited 2020-04-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 P6Q Meta-Carborane propyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.20 Å R-free 0.164
6YO4 Para-Carborane propyl-sulfonamide in complex with CA IX mimic Deposited 2020-04-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 P8B Para-Carborane propyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.70 Å R-free 0.226
6YO7 Ortho-Carborane di-propyl-sulfonamide in complex with CA IX mimic Deposited 2020-04-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 P7Z Ortho-Carborane di-propyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.17 Å R-free 0.185
6YOI Meta-Carborane di-propyl-sulfonamide in complex with CA IX mimic Deposited 2020-04-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 P7H Meta-Carborane di-propyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.20 Å R-free 0.155
6YOK Para-Carborane di-propyl-sulfonamide in complex with CA IX mimic Deposited 2020-04-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 P82 Para-Carborane di-propyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.25 Å R-free 0.154
6YOL Meta-Nidocarborane propyl-sulfonamide in complex with CA IX mimic Deposited 2020-04-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 P5T Meta-Nidocarborane propyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.15 Å R-free 0.171
6YPW Crystal structure for the complex of human carbonic anhydrase II and 4-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide Deposited 2020-04-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 P75 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.2 M sodium citrate, 50 mM Tris pH 8.0
Resolution 1.10 Å R-free 0.132
6YQT CRYSTAL STRUCTURE OF HUMAN CA II IN COMPLEX WITH A SULFONAMIDE DERIVATIVE OF 2-MERCAPTOBENZOXAZOLE Deposited 2020-04-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 P9E 2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.3 M sodium citrate, 100 mM Tris-HCl
Resolution 1.50 Å R-free 0.206
6YQU CRYSTAL STRUCTURE OF HUMAN CA II IN COMPLEX WITH 2-MERCAPTOBENZOXAZOLE Deposited 2020-04-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 P92 3~{H}-1,3-benzoxazole-2-thione × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.3 M sodium citrate, 100 mM Tris-HCl
Resolution 1.48 Å R-free 0.193
6YRI THE CRYSTAL STRUCTURE OF THE COMPLEX OF HCAII WITH CAFFEIC ACID Deposited 2020-04-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DHC CAFFEIC ACID × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3 M sodium citrate, 0.1 M Tris-HCl, pH 8.5
Resolution 1.60 Å R-free 0.193
6YZJ Closo-carborane ethyl-sulfonamide in complex with CA IX mimic Deposited 2020-05-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 Q2Z Carborane ethyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；10 mM Tris, 1.6 M natrium Citrate
Resolution 1.20 Å R-free 0.163
6YZK Carborane closo-pentyl-sulfonamide in complex with CA IX mimic Deposited 2020-05-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 Q3N Carborane closo-pentyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 sodium citrate, 50 mM Tris-H2SO4
Resolution 0.99 Å R-free 0.143
6YZL Closo-carborane methyl-sulfonamide in complex with CA IX mimic Deposited 2020-05-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 Q3T Carborane methyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；50 mM Tris pH 7.8 1.6 Natrium Citrate
Resolution 1.20 Å R-free 0.179
6YZM Carborane nido-pentyl-sulfonamide in complex with CA IX mimic Deposited 2020-05-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 Q4B Carborane nido-pentyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.50 Å R-free 0.195
6YZN Closo-carborane butyl-sulfonamide in complex with CA IX mimic Deposited 2020-05-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 Q3Q Carborane closo-butyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；50 mM Tris 1.6 M Natrium Citrate
Resolution 0.95 Å R-free 0.148
6YZO Carborane closo-hexyl-sulfonamide in complex with CA IX mimic Deposited 2020-05-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 Q3K Carborane closo-hexyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.50 Å R-free 0.212
6YZP Carborane nido-hexyl-sulfonamide in complex with CA IX mimic Deposited 2020-05-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 Q3H Carborane nido-hexyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.35 Å R-free 0.198
6YZQ Carborane closo-butyl-sulfonamide in complex with CA II Deposited 2020-05-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 Q3Q Carborane closo-butyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.04 Å R-free 0.160
6YZR Carborane nido-butyl-sulfonamide in complex with CA II Deposited 2020-05-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 Q3W Carborane nido-butyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.20 Å R-free 0.162
6YZS Carborane closo-pentyl-sulfonamide in complex with CA II Deposited 2020-05-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 Q3N Carborane closo-pentyl-sulfonamide × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.05 Å R-free 0.172
6YZT Closo-carborane propyl-sulfonamide in complex with CA II Deposited 2020-05-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 Q3E Carborane propyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；50 mM Tris 1.6 M Natrium Citrate
Resolution 1.05 Å R-free 0.208
6YZU Carborane nido-pentyl-sulfonamide in complex with CA II Deposited 2020-05-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 Q38 Carborane nido-pentyl-sulfonamide × 1 Q4B Carborane nido-pentyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.00 Å R-free 0.140
6YZV Closo-carborane ethyl-sulfonamide in complex with CA II Deposited 2020-05-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 Q2Z Carborane ethyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；50 mM Tris 1.6 M Natrium Citrate
Resolution 1.65 Å R-free 0.204
6YZW Carborane closo-hexyl-sulfonamide in complex with CA II Deposited 2020-05-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 Q3K Carborane closo-hexyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.03 Å R-free 0.155
6YZX Carborane nido-hexyl-sulfonamide in complex with CA II Deposited 2020-05-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 Q3H Carborane nido-hexyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.10 Å R-free 0.166
6Z04 Nido-carborane butyl-sulfonamide in complex with CA IX mimic Deposited 2020-05-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 Q3W Carborane nido-butyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；50 mM Tris pH=7.8 1.6 M Natrium Citrate
Resolution 1.05 Å R-free 0.158
6ZR8 The crystal structure of 2-(4-Benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II Deposited 2020-07-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 QOZ 2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.2 M Sodium Citrate, 0.1 M Tris-HCl pH 8.5
Resolution 1.79 Å R-free 0.199
7A6V Human Carbonic Anhydrase II in complex with 4-(3-(3-phenoxypropyl)thioureido)benzenesulfonamide Deposited 2020-08-26 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 R2W 4-(3-(3-phenoxypropyl)thioureido)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；295 K；1,5-1,8 M sodium citrate
Resolution 2.00 Å R-free 0.258
7AEQ Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-4-(2-hydroxyethylsulfanyl)-N-methyl-benzenesulfonamide Deposited 2020-09-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 R8N 2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{N}-methyl-benzenesulfonamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 NA SODIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer: 0.1M sodium bicine (pH 9), 0.2M ammonium sulfate and 2M sodium malonate (pH 7)
Resolution 1.50 Å R-free 0.214
7AES Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-N-methyl-4-propylsulfanyl-benzenesulfonamide Deposited 2020-09-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 R8Q 2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 BCN BICINE × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer: 0.1M sodium bicine (pH 9), 0.2M ammonium sulfate and 2M sodium malonate (pH 7)
Resolution 1.40 Å R-free 0.209
7AGN Human carbonic anhydrase II in complex with 4-(2-aminoethylsulfanyl)-2,3,5,6-tetrafluoro-N-methyl-benzenesulfonamide Deposited 2020-09-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 RAK 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide × 1 NA SODIUM ION × 1 BCN BICINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer: 0.1M sodium bicine (pH 9), 0.2M ammonium sulfate and 2M sodium malonate (pH 7)
Resolution 1.15 Å R-free 0.186
7AGN Human carbonic anhydrase II in complex with 4-(2-aminoethylsulfanyl)-2,3,5,6-tetrafluoro-N-methyl-benzenesulfonamide Deposited 2020-09-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–260（260 aa）
Not recorded ZN ZINC ION × 1 RAK 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide × 1 NA SODIUM ION × 2 BCN BICINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer: 0.1M sodium bicine (pH 9), 0.2M ammonium sulfate and 2M sodium malonate (pH 7)
Resolution 1.15 Å R-free 0.186
7AGN Human carbonic anhydrase II in complex with 4-(2-aminoethylsulfanyl)-2,3,5,6-tetrafluoro-N-methyl-benzenesulfonamide Deposited 2020-09-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–260（260 aa）
Not recorded ZN ZINC ION × 1 RAK 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide × 1 BCN BICINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer: 0.1M sodium bicine (pH 9), 0.2M ammonium sulfate and 2M sodium malonate (pH 7)
Resolution 1.15 Å R-free 0.186
7AGN Human carbonic anhydrase II in complex with 4-(2-aminoethylsulfanyl)-2,3,5,6-tetrafluoro-N-methyl-benzenesulfonamide Deposited 2020-09-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–260（260 aa）
Not recorded ZN ZINC ION × 1 RAK 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide × 1 NA SODIUM ION × 1 BCN BICINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer: 0.1M sodium bicine (pH 9), 0.2M ammonium sulfate and 2M sodium malonate (pH 7)
Resolution 1.15 Å R-free 0.186
7ASJ Crystal structure for the complex of human carbonic anhydrase II and 3-(3-methyl-3-phenethylureido)benzenesulfonamide Deposited 2020-10-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 NA SODIUM ION × 1 RWH 3-(3-methyl-3-phenethylureido)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.5 M sodium citrate, Tris 50 mM
Resolution 1.43 Å R-free 0.179
7BFA 4-(2-(3-(4-iodophenyl)thioureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II Deposited 2021-01-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded ZN ZINC ION × 1 TKE 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5-1.7 M sodium citrate 0.1 M Tris pH 8.0
Resolution 1.60 Å R-free 0.182
7BG5 4-(2-(3-(4-iodophenyl)ureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II Deposited 2021-01-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 TKQ 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.43 Å R-free 0.165
7BHH 4-(2-(3-(4-iodophenyl)selenoureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II Deposited 2021-01-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 TN8 ~{N}'-(4-iodophenyl)-~{N}-[2-(4-sulfamoylphenyl)ethyl]carbamimidoselenoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5-1.7 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.40 Å R-free 0.170
7BI5 Human CA II in complex with benzyl alcohol Deposited 2021-01-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 010 phenylmethanol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.3 M sodium citrate, 0.1 M Tris-HCl
Resolution 1.74 Å R-free 0.194
7CA2 ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II Deposited 1991-07-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.40 Å
7JNR Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propionamide Deposited 2020-08-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 VFG N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M Na Citrate, 50mM Tris
Resolution 1.44 Å R-free 0.249
7JNV Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butyramide Deposited 2020-08-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 2 VFJ N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M Sodium Citrate and 50mM Tris
Resolution 1.49 Å R-free 0.196
7JNW Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)isobutyramide Deposited 2020-08-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 VFM 2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide × 2 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M Sodium Citrate, 50mM Tris
Resolution 1.29 Å R-free 0.152
7JNX Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pivalamide Deposited 2020-08-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 ZN ZINC ION × 1 VGS 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M Sodium Citrate, 50mM Tris
Resolution 1.29 Å R-free 0.176
7JNZ Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide Deposited 2020-08-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 VGV N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M Sodium Citrate, 50mM Tris
Resolution 1.29 Å R-free 0.189
7JO0 Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propionamide Deposited 2020-08-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–257（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 VFG N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M Sodium Citrate, 50mM Tris
Resolution 1.61 Å R-free 0.183
7JO1 Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butyramide Deposited 2020-08-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–257（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 VFJ N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M Sodium Citrate, 50mM Tris
Resolution 1.50 Å R-free 0.213
7JO2 Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)isobutyramide Deposited 2020-08-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–257（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 VFM 2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.6M Sodium Citrate, 50mM Tris
Resolution 1.31 Å R-free 0.191
7JO3 Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pivalamide Deposited 2020-08-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–257（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 VGS 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.6M Sodium Citrate, 50mM Tris
Resolution 1.45 Å R-free 0.173
7JOB Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide Deposited 2020-08-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–257（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 VGV N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M Sodium Citrate, 50mM Tris
Resolution 1.38 Å R-free 0.191
7JOC Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)adamantanecarboxamide Deposited 2020-08-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–257（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 ARZ (3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；298 K；1.6M Sodium Citrate, 50mM Tris
Resolution 1.39 Å R-free 0.176
7K6I Carbonic Anhydrase II complexed with 4-(2-(3-phenylureido)ethylsulfonamido)benzenesulfonamide Deposited 2020-09-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 VYV 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide × 3 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；295 K；1.6M Sodium Citrate, 50mM Tris, pH 6.4
Resolution 1.41 Å R-free 0.185
7K6J Carbonic Anhydrase II complexed with 4-(2-(3-(4-methylphenyl)ureido)ethylsulfonamido)benzenesulfonamide Deposited 2020-09-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 VYY 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；295 K；1.6M Sodium Citrate, 50mM Tris, pH 6.4
Resolution 1.75 Å R-free 0.218
7K6K Carbonic Anhydrase II complexed with 4-(2-(3-(3,5-dimethylphenyl)ureido)ethylsulfonamido)benzenesulfonamide Deposited 2020-09-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 ZN ZINC ION × 1 VZ1 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；295 K；1.6M Sodium Citrate, 50mM Tris, pH 6.4
Resolution 1.31 Å R-free 0.194
7K6L Carbonic Anhydrase II complexed with 4-(2-(3-(4-fluorophenyl)ureido)ethylsulfonamido)benzenesulfonamide Deposited 2020-09-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 VZD 4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；295 K；1.6M Sodium Citrate, 50mM Tris, pH 6.4
Resolution 1.66 Å R-free 0.208
7K6T Carbonic Anhydrase IX mimic complexed with 4-(2-(3-phenylureido)ethylsulfonamido)benzenesulfonamide Deposited 2020-09-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–257（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 VYV 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；295 K；1.6M Sodium Citrate, 50mM Tris, pH 6.4
Resolution 1.76 Å R-free 0.212
7K6U Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(4-methylphenyl)ureido)ethylsulfonamido)benzenesulfonamide Deposited 2020-09-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–257（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 VYY 4-{[(2-{[(4-methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；295 K；1.6M Sodium Citrate, 50mM Tris, pH 6.4
Resolution 1.60 Å R-free 0.196
7K6X Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(3,5-dimethylphenyl)ureido)ethylsulfonamido)benzenesulfonamide Deposited 2020-09-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–257（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 VZ1 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；295 K；1.6M Sodium Citrate, 50mM Tris, pH 6.4
Resolution 1.76 Å R-free 0.223
7K6Z Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(4-fluorophenyl)ureido)ethylsulfonamido)benzenesulfonamide Deposited 2020-09-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–257（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 VZD 4-{[(2-{[(4-fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；295 K；1.6M Sodium Citrate, 50mM Tris, pH 6.4
Resolution 1.66 Å R-free 0.212
7M23 Human carbonic anhydrase II in complex with troglitazone Deposited 2021-03-16 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 TDZ (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.3；293 K；Protein concentration was 4 mg/mL; equal volumes (250 nL) of protein plus reservoir were added to the plate; the reservoir was 1.5 M tri-potassium citrate, 0.1 M tris buffer at pH 8.3.
Resolution 1.30 Å R-free 0.151
7M24 Human carbonic anhydrase II in complex with (R)-rosiglitazone Deposited 2021-03-16 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 RGZ (R)-ROSIGLITAZONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.3；293 K；Protein concentration was 4 mg/mL; equal volumes (250 nL) of protein plus reservoir were added to the plate; the reservoir was 1.5 M tri-potassium citrate, 0.1 M tris buffer at pH 8.3.
Resolution 1.30 Å R-free 0.146
7M26 Human carbonic anhydrase II in complex with pioglitazone Deposited 2021-03-16 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 P1B (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.3；293 K；Protein concentration was 4 mg/mL; equal volumes (250 nL) of protein plus reservoir were added to the plate; the reservoir was 1.5 M tri-potassium citrate, 0.1 M tris buffer at pH 8.3.
Resolution 1.30 Å R-free 0.145
7MU3 human carbonic anhydrase 9 mimic with compound Deposited 2021-05-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 ZOA ethyl (8R)-7-methyl-3-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)pyrazolo[1,5-a]pyrimidine-6-carboxylate × 1 GOL GLYCEROL × 1 IMD IMIDAZOLE × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Protein at 5.9 mg/mL; 200 nL plus 200 nL drops with the reservoir being 2.7 M ammonium sulfate and 50 mM Tris buffer at pH 8.2
Resolution 1.35 Å R-free 0.147
7NH6 Crystal structure of human carbonic anhydrase II with 3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide Deposited 2021-02-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 UDE 3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.28 Å R-free 0.175
7NH8 Crystal structure of human carbonic anhydrase II with N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide Deposited 2021-02-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded ZN ZINC ION × 1 UD8 N-((1-(6-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)hexyl)-1H-1,2,3-triazol-4-yl)methyl)-4-sulfamoylbenzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.37 Å R-free 0.190
7NTB Crystal structure of human carbonic anhydrase with a benzophenone-derivative Deposited 2021-03-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 URH ~{N}-[[4-(phenylcarbonyl)phenyl]methyl]-4-sulfamoyl-benzamide × 1 MBO MERCURIBENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；2.6 M ammonium sulphate, 0.3 M sodium chloride, 0.1 M Tris-HCl, pH 8.5, 5 mM 4-(hydroxymercurybenzoate)
Resolution 1.70 Å R-free 0.217
7NZR Crystal structure of chimeric carbonic anhydrase VA with 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide Deposited 2021-03-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：N62T, H64Y, A65L, N67Q, I91K, F130Y, L203T ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 V90 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.28 Å R-free 0.159
7NZS Crystal structure of chimeric carbonic anhydrase VA with 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide Deposited 2021-03-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：N62T, H64Y, A65L, N67Q, I91K, F130Y, L203T ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 BCN BICINE × 2 3TV 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.50 Å R-free 0.202
7NZT Crystal structure of chimeric carbonic anhydrase VA with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide Deposited 2021-03-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：N62T, H64Y, A65L, N67Q, I91K, F130Y, L203T ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 V14 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.35 Å R-free 0.166
7NZU Crystal structure of chimeric carbonic anhydrase VA with 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide Deposited 2021-03-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：N62T, H64Y, A65L, N67Q, I91K, F130Y, L203T ZN ZINC ION × 1 WWO 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 BCN BICINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.24 Å R-free 0.166
7NZW Crystal structure of chimeric carbonic anhydrase VA with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide Deposited 2021-03-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：N62T, H64Y, A65L, N67Q, I91K, F130Y, L203T ZN ZINC ION × 1 V50 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide × 1 NA SODIUM ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.45 Å R-free 0.206
7NZX Crystal structure of chimeric carbonic anhydrase VA with 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide Deposited 2021-03-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：N62T, H64Y, A65L, N67Q, I91K, F130Y, L203T ZN ZINC ION × 1 V13 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide × 1 BCN BICINE × 1 DMS DIMETHYL SULFOXIDE × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.33 Å R-free 0.170
7OK8 Crystal structure of human carbonic anhydrase II with 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide Deposited 2021-05-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 VGT 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.43 Å R-free 0.165
7ONM Carbonic anhydrase II mutant (N67G-E69R-I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) Deposited 2021-05-25 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Mutation：N67G, E69R, I91C Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 VKZ 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide × 1 EDO 1,2-ETHANEDIOL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1 M Tris pH 8.0, 0.2 M lithium chloride, 20% w/v polyethylene glycol 6,000
Resolution 1.77 Å R-free 0.223
7ONP Wild type carbonic anhydrase II with bound IrCp* complex to generate an artificial transfer hydrogenase (ATHase) Deposited 2021-05-25 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 3–260（258 aa）
Not recorded VL2 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-nitro-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide × 1 ACT ACETATE ION × 2 ZN ZINC ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.9；293 K；2.6 M (NH4)2SO4, 50 mM Tris-H2SO4, pH 7.9
Resolution 1.41 Å R-free 0.182
7ONQ Carbonic anhydrase II mutant (E69C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) Deposited 2021-05-25 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Mutation：E69C Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 VKZ 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide × 1 EDO 1,2-ETHANEDIOL × 18 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES sodium pH 7.5, 1.4 M Sodium citrate tribasic dihydrate
Resolution 1.65 Å R-free 0.170
7ONV Carbonic anhydrase II mutant (I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) Deposited 2021-05-26 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Mutation：I91C Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 VKZ 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide × 1 EDO 1,2-ETHANEDIOL × 9 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.1 M TRIS 8.5 pH, 0.2 M MgCl2, 25% w/v PEG 3350
Resolution 1.04 Å R-free 0.200
7ORP crystal structure of human carbonic anhydrase II in complex with 4-((2-hydroxy-3-((3,4,5-trimethoxyphenyl)tellanyl)propyl)selanyl)benzenesulfonamide Deposited 2021-06-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 0IC 4-[(2S)-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide × 1 0I6 4-[(2R)-2-oxidanyl-3-(3,4,5-trimethylphenyl)tellanyl-propyl]selanylbenzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.43 Å R-free 0.166
7ORQ crystal structure of human carbonic anhydrase II in complex with 4-((3-(butylselanyl)-2-hydroxypropyl)selanyl)benzenesulfonamide Deposited 2021-06-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 KR6 4-[(2S)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide × 1 KQU 4-[(2R)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.43 Å R-free 0.171
7OYM Carbonic anhydrase II in complex with Hit2 (MH65) Deposited 2021-06-24 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 0.98 Å R-free 0.160
7OYN Carbonic anhydrase II in complex with Hit3 (MH57) Deposited 2021-06-24 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 0.98 Å R-free 0.136
7OYO Carbonic anhydrase II in complex with Hit4 (MH70) Deposited 2021-06-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 TKR [1-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,2,3-triazolidin-4-yl]methyl hydrogen carbonate × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.03 Å R-free 0.167
7OYP Carbonic anhydrase II in complex with Hit3-t1 (MH172) Deposited 2021-06-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 3I4 (2S)-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide × 1 4J8 4-methylbenzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.05 Å R-free 0.134
7OYQ Carbonic anhydrase II in complex with Hit3-t2 (MH174) Deposited 2021-06-24 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.15 Å R-free 0.180
7OYR Carbonic anhydrase II in complex with Hit3-t4 (MH181) Deposited 2021-06-24 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.15 Å R-free 0.151
7Q0C Mimic carbonic anhydrase IX in complex with Methyl 2-chloro-4-(cyclohexylsulfanyl)-5-sulfamoylbenzoate Deposited 2021-10-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67Q, I91L, F130V, V134L, L203A. ZN ZINC ION × 1 7VZ methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate × 1 ACT ACETATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer: 0.1M sodium bicine (pH 9.0), 0.2 M ammonium sulfate and 2M sodium malonate (pH 7.0)
Resolution 1.12 Å R-free 0.194
7Q0C Mimic carbonic anhydrase IX in complex with Methyl 2-chloro-4-(cyclohexylsulfanyl)-5-sulfamoylbenzoate Deposited 2021-10-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–260（260 aa）
Mutation：A65S, N67Q, I91L, F130V, V134L, L203A. ZN ZINC ION × 1 7VZ methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer: 0.1M sodium bicine (pH 9.0), 0.2 M ammonium sulfate and 2M sodium malonate (pH 7.0)
Resolution 1.12 Å R-free 0.194
7Q0E Human Carbonic Anhydrase II in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate Deposited 2021-10-14 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 NA SODIUM ION × 4 BCN BICINE × 1 DMS DIMETHYL SULFOXIDE × 1 84Z methyl 4-chloranyl-2-(phenylsulfonyl)-5-sulfamoyl-benzoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer: 0.1M sodium bicine (pH 9.0), 0.2 M ammonium sulfate and 2M sodium malonate (pH 7.0)
Resolution 1.30 Å R-free 0.169
7QBH Selenocarbamates as a novel prodrug-based approach towards Carbonic Anhydrase inhibition (hCA II) Deposited 2021-11-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded ZN ZINC ION × 1 AIW phenylmethaneselenol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.22 Å R-free 0.177
7QGX Human carbonic anhydrase II in complex with 3-((5-chloro-4-(4-chlorophenyl)thiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid Deposited 2021-12-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 D85 3-[[5-chloranyl-4-(4-chlorophenyl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)amino]propanoic acid × 1 MLI MALONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer was 0.1M sodium BICINE (pH 9.0) and 2M sodium malonate (pH 7.0)
Resolution 1.19 Å R-free 0.211
7QGY Human carbonic anhydrase II in complex with 3-((5-(ethoxycarbonyl)-4-methylthiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid Deposited 2021-12-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 D9I 3-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer: 0.1M sodium bicine (pH 9.0), 0.2M ammonium sulfate and 2M sodium malonate (pH 7.0).
Resolution 1.50 Å R-free 0.194
7QGZ Human carbonic anhydrase II in complex with Methyl 3-((4-methylthiazol-2-yl)(4-sulfamoylphenyl)amino)propanoate Deposited 2021-12-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 D6B methyl 3-[(4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Crystallization buffer: 0.1M sodium bicine (pH 9.0), 0.2M ammonium sulfate and 2M sodium malonate (pH 7.0)
Resolution 1.13 Å R-free 0.217
7QNV human carbonic anhydrase II bound to 3-methylbenzoselenoate Deposited 2021-12-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 E6H 3-methylbenzoselenoate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.28 Å R-free 0.184
7QRK Human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)amino)benzamide Deposited 2022-01-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 EMI N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)amino)benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.43 Å R-free 0.170
7QSE human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylbenzyl)amino)ethyl)amino)benzamide Deposited 2022-01-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 EUM ~{N}-(2-aminophenyl)-4-[[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]benzamide × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.43 Å R-free 0.164
7QSI human Carbonic Anhydrase II in complex with indoline-1-sulfonamide Deposited 2022-01-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 EWF 2,3-dihydroindole-1-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.30 Å R-free 0.184
7QZX Human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide Deposited 2022-02-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 HIL 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.24 Å R-free 0.179
7R1X human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide Deposited 2022-02-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 HFF 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.35 Å R-free 0.176
7RNY Carbonic Anhydrase II in complex with 3-ureido benzenesulfonamide derivative Deposited 2021-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 65M 3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM tris base
Resolution 1.29 Å R-free 0.174
7RNZ Carbonic Anhydrase II in complex with 4-ureido benzenesulfonamide derivative Deposited 2021-07-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 64W 4-[(methylcarbamoyl)amino]benzene-1-sulfonamide × 1 GOL GLYCEROL × 1 AZI AZIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM tris base
Resolution 1.30 Å R-free 0.184
7RRE Carbonic Anhydrase II in complex with Beta-Galactose-2C Deposited 2021-08-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded 6IV 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside × 1 GOL GLYCEROL × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM Tris pH 7.8
Resolution 1.44 Å R-free 0.167
7RRF Carbonic Anhydrase IX-mimic in complex with Beta-Galactose_2C Deposited 2021-08-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A 6IV 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside × 2 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM Tris pH 7.8
Resolution 1.45 Å R-free 0.169
7SUW Carbonic Anhydrase IX-mimic with 2-((3-Aminopropyl)(phenethyl)amino)-N-(furan-2-ylmethyl)-N-(4-sulfamoylphenethyl)acetamide Deposited 2021-11-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 ZN ZINC ION × 1 U77 N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM Tris base
Resolution 1.46 Å R-free 0.190
7SUY Carbonic Anhydrase IX-mimic Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide Deposited 2021-11-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 C97 N-[(furan-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM tris base
Resolution 1.41 Å R-free 0.187
7SV1 Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid Deposited 2021-11-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 ZN ZINC ION × 1 U6V N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM Tris base
Resolution 1.56 Å R-free 0.198
7SV8 Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid Deposited 2021-11-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 ZN ZINC ION × 1 U7J N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM tris base
Resolution 1.39 Å R-free 0.177
7U5W Crystal Structure Analysis of human Carbonic anhydrase 2 Deposited 2022-03-02 Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0% PEG1000 and 0.1M Tris pH 8.0
Resolution 1.13 Å R-free 0.180
7U5X Crystal Structure Analysis of human Carbonic anhydrase 2 Deposited 2022-03-02 Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.4 M Sodium malate, 100mM Tris pH 8.8
Resolution 1.04 Å R-free 0.171
7Y2A Zn-Carbonic Anhydrase II complexed with 3NPA before UV at 90 K Deposited 2022-06-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MNP 2-(3-NITROPHENYL)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.156
7Y2C Zn-Carbonic Anhydrase II complexed with 3NPA after UV at 90 K Deposited 2022-06-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 3NT 3-NITROTOLUENE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.153
7Y2E Zn-Carbonic Anhydrase II complexed with 3NPA after UV at 120 K Deposited 2022-06-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 3NT 3-NITROTOLUENE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.155
7Y2F Zn-Carbonic Anhydrase II complexed with 3NPA after UV at 140 K Deposited 2022-06-09 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.149
7Y2G Zn-Carbonic Anhydrase II complexed with 3NPA after UV at 160 K Deposited 2022-06-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.149
7Y2H Zn-Carbonic Anhydrase II complexed with 3NPA after UV at 180 K Deposited 2022-06-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.149
7Y2I Zn-Carbonic Anhydrase II complexed with 3NPA after UV at 200 K Deposited 2022-06-09 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.40 Å R-free 0.159
7Y2J apo-Carbonic Anhydrase II soaked in 3NPA before UV at 90 K Deposited 2022-06-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.25 Å R-free 0.167
7Y2K apo-Carbonic Anhydrase II soaked in 3NPA after UV at 90 K Deposited 2022-06-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.25 Å R-free 0.163
7Y2L apo-Carbonic Anhydrase II soaked in 3NPA after UV at 120 K Deposited 2022-06-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.25 Å R-free 0.164
7Y2M apo-Carbonic Anhydrase II soaked in 3NPA after UV at 140 K Deposited 2022-06-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.25 Å R-free 0.159
7Y2N apo-Carbonic Anhydrase II soaked in 3NPA after UV at 160 K Deposited 2022-06-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO2 CARBON DIOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.25 Å R-free 0.161
7Y2O apo-Carbonic Anhydrase II soaked in 3NPA after UV at 180 K Deposited 2022-06-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO2 CARBON DIOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.25 Å R-free 0.160
7Y2Q apo-Carbonic Anhydrase II soaked in 3NPA after UV at 200 K Deposited 2022-06-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO2 CARBON DIOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.35 Å R-free 0.157
7Y2R Ni-Carbonic Anhydrase II complexed with 3NPA before UV at 100 K Deposited 2022-06-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded NI NICKEL (II) ION × 2 MNP 2-(3-NITROPHENYL)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.155
7Y2S Ni-Carbonic Anhydrase II complexed with 3NPA after UV at 100 K Deposited 2022-06-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded NI NICKEL (II) ION × 2 MNP 2-(3-NITROPHENYL)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.154
7Y2T Ni-Carbonic Anhydrase II complexed with 3NPA after UV at 120 K Deposited 2022-06-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded NI NICKEL (II) ION × 2 MNP 2-(3-NITROPHENYL)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.153
7Y2U Ni-Carbonic Anhydrase II complexed with 3NPA after UV at 140 K Deposited 2022-06-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded NI NICKEL (II) ION × 2 MNP 2-(3-NITROPHENYL)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.152
7Y2V Ni-Carbonic Anhydrase II complexed with 3NPA after UV at 160 K Deposited 2022-06-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded NI NICKEL (II) ION × 2 MNP 2-(3-NITROPHENYL)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.153
7Y2W Ni-Carbonic Anhydrase II complexed with 3NPA after UV at 180 K Deposited 2022-06-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded NI NICKEL (II) ION × 2 MNP 2-(3-NITROPHENYL)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.156
7Y2X Ni-Carbonic Anhydrase II complexed with 3NPA after UV at 200 K Deposited 2022-06-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded NI NICKEL (II) ION × 2 MNP 2-(3-NITROPHENYL)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.50 Å R-free 0.158
7YWT human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide Deposited 2022-02-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 ZN ZINC ION × 1 I6U (11~{b}~{R})-4-oxidanylidene-~{N}-(4-sulfamoylphenyl)-3,6,7,11~{b}-tetrahydro-1~{H}-pyrazino[2,1-a]isoquinoline-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.11 Å R-free 0.177
7ZL6 Azosemide in complex with human Carbonic anhydrase II (hCA II) Deposited 2022-04-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded ZN ZINC ION × 1 IWE Azosemide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.5 M sodium citrate, 50 mM Tris pH 8.0
Resolution 1.38 Å R-free 0.185
7ZWB human Carbonic Anhydrase II in complex with 4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)benzenesulfonamide Deposited 2022-05-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded ZN ZINC ION × 1 K7P 4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.48 Å R-free 0.227
8AA6 CAII in complex with meta-carboran-propylsulfonamid Deposited 2022-06-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 LD3 meta-carboran-propylsulfonamid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；50 mM Tris 1.6 M Natrium Citrate
Resolution 1.15 Å R-free 0.180
8AAE CAII in complex with para-carboran-propylsulfonamid Deposited 2022-07-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 P8B Para-Carborane propyl-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；291 K；50 mM Tris 1.6 M Natrium Citrate
Resolution 1.15 Å R-free 0.183
8B29 Human carbonic anhydrase II containing 6-fluorotryptophanes. Deposited 2022-09-13 Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；2.9 M ammonium sulfate, 0.1 M Tris-HCl
Resolution 1.70 Å R-free 0.210
8BJX Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide Deposited 2022-11-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded ZN ZINC ION × 1 QKO 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.28 Å R-free 0.203
8BOE Human Carbonic Anhydrase I in complex with (S)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide Deposited 2022-11-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 ZN ZINC ION × 1 QKO 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.55 Å R-free 0.172
8BZZ Crystal structure of carbonic anhydrase 2 4-(dimethylamino)-N-nitrobenzenesulfonamide Deposited 2022-12-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 ZN ZINC ION × 1 SVO 4-(dimethylamino)-~{N}-nitro-benzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.07 Å R-free 0.154
8C0Q Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative. Deposited 2022-12-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 SWU (4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；1.3 M SODIUM CITRATE, 100 mM TRIS-HCL
Resolution 1.67 Å R-free 0.218
8C0R Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative. Deposited 2022-12-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 SXL bis(fluoranyl)-(4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；1.3 M SODIUM CITRATE, 100 mM TRIS-HCL
Resolution 1.56 Å R-free 0.201
8CA2 ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II Deposited 1991-07-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.40 Å
8CR0 Crystal structure of human carbonic anhydrase II in complex with a triazolyl benzoxaborole inhibitor Deposited 2023-03-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 VI6 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-4-[(4-fluoranylphenoxy)methyl]-1,2,3-triazole × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.3 M sodium citrate, 60 mM Tris-HCl
Resolution 1.22 Å R-free 0.179
8DJ9 Carbonic Anhydrase II in complex with Ibuprofen Deposited 2022-06-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 2 IZP (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M Sodium Citrate, 50 mM Tris base pH 7.8
Resolution 1.54 Å R-free 0.169
8EM3 Carbonic Anhydrase II in complex with the diaryl urea molecule J2 Deposited 2022-09-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded WLE 4-[(3-methoxyphenyl)carbamamido]benzene-1-sulfonamide × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6M Sodium Citrate, 50mM Tris base
Resolution 1.62 Å R-free 0.184
8EMU Human Carbonic Anhydrase II Heterobifunctional Degraders Deposited 2022-09-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 WMO N-(2-methoxyethyl)-4-sulfamoylbenzamide × 2 MBO MERCURIBENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；2.6-3.0 M Ammonium sulfate in 50 mM Tris-Sulfate (pH 8)
Resolution 1.13 Å R-free 0.233
8EXC Human Carbonic Anhydrase II bound tert-butyl (3-(4-(3-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)propoxy)butoxy)propyl)carbamate Deposited 2022-10-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded X2U N-(3-{4-[3-({2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}amino)propoxy]butoxy}propyl)-4-sulfamoylbenzamide × 1 ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；2.6-3.0 M Ammonium sulfate in 50 mM Tris-Sulfate (pH 8)
Resolution 1.90 Å R-free 0.227
8EXG Human Carbonic Anhydrase II bound N-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethyl)-4-sulfamoylbenzamide Deposited 2022-10-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 X38 (4S)-5-amino-4-{1,3-dioxo-4-[(2-{2-[2-(4-sulfamoylbenzamido)ethoxy]ethoxy}ethyl)amino]-1,3-dihydro-2H-isoindol-2-yl}-5-oxopentanoic acid × 1 MBO MERCURIBENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.6-3.0 M Ammonium sulfate in 50 mM Tris-Sulfate (pH 8)
Resolution 1.99 Å R-free 0.223
8EYL Human Carbonic Anhydrase II with Tert-butyl (2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethyl)carbamate Deposited 2022-10-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 X5F 2-[[(2~{R})-1-azanyl-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]-6-[2-[2-[(4-sulfamoylphenyl)carbonylamino]ethoxy]ethylamino]benzoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.6-3.0 M Ammonium sulfate in 50 mM Tris-Sulfate (pH 8)
Resolution 1.18 Å R-free 0.193
8FAL Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with benzo[d]thiazole-2(3H)-thione Deposited 2022-11-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 XO9 1,3-benzothiazole-2(3H)-thione × 1 MBO MERCURIBENZOIC ACID × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.6-3.0 M Ammonium sulfate in 50 mM Tris-Sulfate (pH 8)
Resolution 1.37 Å R-free 0.222
8FAU Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with 4-phenylthiazole-2(3H)-thione Deposited 2022-11-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded Y3E 4-phenyl-1,3-thiazole-2(3H)-thione × 1 ZN ZINC ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.6-3.0 M Ammonium sulfate in 50 mM Tris-Sulfate (pH 8)
Resolution 1.44 Å R-free 0.209
8FQX Carbonic Anhydrase II in complex with the alkyl ureas 3g Deposited 2023-01-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 N84 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM Tris base
Resolution 1.50 Å R-free 0.191
8FQY Carbonic Anhydrase II in complex with the alkyl urea 3h Deposited 2023-01-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 N8A 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM Tris base
Resolution 1.47 Å R-free 0.185
8FQZ Carbonic Anhydrase II in complex with the alkyl urea 3j Deposited 2023-01-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 N7S 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide × 1 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM Tris base
Resolution 1.47 Å R-free 0.185
8FR1 Carbonic Anhydrase IX in complex with the alkyl urea compound 3g Deposited 2023-01-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 N84 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM Tris base
Resolution 2.00 Å R-free 0.254
8FR2 Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3h Deposited 2023-01-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 N8A 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM Tris base
Resolution 1.31 Å R-free 0.179
8FR4 Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3j Deposited 2023-01-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 N7S 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM Tris base
Resolution 1.12 Å R-free 0.173
8IGF Crystal Structure of Human Carbonic Anhydrase II In-complex with 4-Acetylphenylboronic acid at 2.6 A Resolution Deposited 2023-02-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1 OY7 (4-ethanoylphenyl)boronic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Crystallization solution was comprised of Tris-HCl buffer (50 mM, pH=7.4), and 2.9 M ammonium sulfate in sitting drop vapor diffusion setup. Crystallization drop was comprised of hCA-II (10 mg/mL), compound (5 mM) and reservoir buffer.
Resolution 2.60 Å R-free 0.253
8J2O Crystal Structure of Human Carbonic Anhydrase II In-complex with Acetohexamide at 2.6 A Resolution Deposited 2023-04-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded TF9 acetohexamide × 1 ZN ZINC ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；291 K；Crystallization solution was comprised of Tris-HCl buffer (50 mM, pH=7.4), and 2.9 M ammonium sulfate in sitting drop vapor diffusion setup. Crystallization drop was comprised of hCA-II, Acetohexamide and reservoir buffer. 25% v/v glycerol was used as cryoprotectant.
Resolution 2.60 Å R-free 0.259
8JEE Crystal Structure of Human Carbonic Anhydrase II In-complex with Levosulpiride at 2.96 A Resolution Deposited 2023-05-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa）
Not recorded ZN ZINC ION × 1 U6X Levosulpiride × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；293 K；Crystallization solution was comprised of Tris-HCl buffer (50 mM, pH=7.4), and 2.9 M ammonium sulfate. Crystallization drop was comprised of hCA-II, Acetohexamide and reservoir buffer.
Resolution 2.96 Å R-free 0.248
8OGD Structure of zinc(II) double mutant human carbonic anhydrase II bound to thiocyanate Deposited 2023-03-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：H3N and H4N HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 SCN THIOCYANATE ION × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；100 mM HEPES, 2.9 M ammonium sulfate, 1 mM 4-hydroxymercuric benzoic acid sodium salt.
Resolution 1.75 Å R-free 0.198
8OGE Structure of cobalt(II) substituted double mutant human carbonic anhydrase II bound to thiocyanate Deposited 2023-03-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：H3N, H4N HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 CO COBALT (II) ION × 1 SCN THIOCYANATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；100 mM HEPES, 2.9 M Ammonium Sulfate, 1 mM 4-hidroxymercuric benzoic acid sodium salt
Resolution 1.46 Å R-free 0.162
8OGF Human Carbonic Anhydrase II in complex with 4-(((1-(3-((3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-c]pyridin-5(4H)-yl)propyl)-1H-1,2,3-triazol-4-yl)methyl)amino)benzenesulfonamide Deposited 2023-03-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 ZN ZINC ION × 1 VMD 4-[[1-[3-[[(2~{R})-2-oxidanyl-2-[(4~{S},5~{R})-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]amino]propyl]-1,2,3-triazol-4-yl]methylamino]benzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.32 Å R-free 0.156
8OKE Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_1 Deposited 2023-03-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 VQC [(3~{S},8~{R},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.05 Å R-free 0.170
8OKG Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_13 Deposited 2023-03-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 VQH [(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-17-methanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.45 Å R-free 0.181
8OKJ Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_12 Deposited 2023-03-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 VRI [(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.40 Å R-free 0.185
8OKO Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_2 Deposited 2023-03-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 VR3 [(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.25 Å R-free 0.173
8OKP Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_33 Deposited 2023-03-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 VQW [(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},15~{R})-10,13,15-trimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.25 Å R-free 0.165
8OKQ Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI_2 Deposited 2023-03-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 VQC [(3~{S},8~{R},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.00 Å R-free 0.179
8OKT Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor VK42 Deposited 2023-03-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 VRN [(8~{R},9~{S},13~{S},14~{S})-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.50 Å R-free 0.178
8OLA Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor VK4 Deposited 2023-03-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 A1H69 [(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.40 Å R-free 0.170
8OLF Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor BS1982 Deposited 2023-03-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 VS9 [(8~{S},9~{S},13~{S},14~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.45 Å R-free 0.177
8OLI Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI_12 Deposited 2023-03-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 VRI [(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.40 Å R-free 0.200
8OLK Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI_13 Deposited 2023-03-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 VQH [(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-17-methanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.27 Å R-free 0.169
8OLM Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI1 Deposited 2023-03-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 VSM [(3~{S},5~{S},8~{S},13~{R},14~{R})-5,14-dimethyl-16-oxidanylidene-1,2,3,4,6,7,8,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.50 Å R-free 0.197
8OMB Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl VK42 Deposited 2023-03-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 VRN [(8~{R},9~{S},13~{S},14~{S})-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.35 Å R-free 0.175
8OMH Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl (BS1982) Deposited 2023-03-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 VS9 [(8~{S},9~{S},13~{S},14~{S})-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.45 Å R-free 0.179
8OMN Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl VK4 Deposited 2023-03-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 A1H69 [(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.40 Å R-free 0.190
8OMP Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI33 Deposited 2023-03-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 VQW [(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},15~{R})-10,13,15-trimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] sulfamate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；291 K；1.6 M sodium citrate, 50 mM Tris-H2SO4
Resolution 1.41 Å R-free 0.184
8OO8 Three-Dimensional Structure of Human Carbonic Anhydrase II in Complex with a Covalent Inhibitor Deposited 2023-04-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–260（259 aa）
Not recorded ZN ZINC ION × 1 VV8 3-(cyclooctylamino)-4-ethylsulfonyl-2,5,6-tris(fluoranyl)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；A 9 0.06 M Divalents 0.1 M Buffer System 3 8.5 30 % v/v Precipitant Mix 1 0.06 M Magnesium chloride hexahydrate; 0.06 M Calcium chloride dihydrate, 0.1 M Tris pH 8.5, 20% v/v PEG 500 MME; 10 % w/v PEG 20000. (Morpheus A-9)
Resolution 1.40 Å R-free 0.215
8OTP Crystal structure of human carbonic anhydrase II with 1-cyclopropyl-6-fluoro-4-oxo-7-(4-(4-sulfamoylbenzoyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid Deposited 2023-04-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 VZW 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(4-sulfamoylphenyl)carbonylpiperazin-1-yl]quinoline-3-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.40 Å R-free 0.177
8OUB The crystal structure of human carbonic anhydrase II with 1-cyclopropyl-6-fluoro-4-oxo-7-(4-((4-sulfamoylbenzyl)carbamoyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid Deposited 2023-04-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded W1O 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(4-sulfamoylphenyl)methylcarbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.18 Å R-free 0.168
8P6U Human carbonic anhydrase II containing 5-fluorotryptophanes Deposited 2023-05-30 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 BEZ BENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.9M ammonium sulfate
Resolution 1.30 Å R-free 0.175
8PHL Human carbonic anhydrase II containing 4-fluorophenylalanine Deposited 2023-06-20 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MBO MERCURIBENZOIC ACID × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.9 Ammonium sulfate
Resolution 1.30 Å R-free 0.194
8PHM Oxalate-bound cobalt(II) human carbonic anhydrase II Deposited 2023-06-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 5–260（256 aa）
Not recorded CO COBALT (II) ION × 1 HGB 4-(HYDROXYMERCURY)BENZOIC ACID × 1 OXD OXALIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2.9M Ammonium sulfate.
Resolution 1.45 Å R-free 0.198
8Q0C Human carbonic anhydrase II containing 3-fluorotyrosine Deposited 2023-07-28 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–260（258 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 MBO MERCURIBENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；2.9M Ammonium sulfate, 0.1M Tris-HCl
Resolution 1.30 Å R-free 0.197
8QF7 Human Carbonic Anhydrase II in complex with (3-((N-(4-sulfamoylbenzyl)phenylsulfonamido)methyl)phenyl)glycine Deposited 2023-09-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 ZN ZINC ION × 1 UIE 2-[[3-[[phenylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.23 Å R-free 0.152
8QF9 Human Carbonic Anhydrase II in complex with (3-((N-(4-sulfamoylphenethyl)phenylsulfonamido)methyl)phenyl)glycine Deposited 2023-09-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 ZN ZINC ION × 1 UHO 2-[[3-[[phenylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]methyl]phenyl]amino]ethanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.28 Å R-free 0.163
8QFK Human Carbonic Anhydrase II in complex with (3-((N-(4-sulfamoylbenzyl)methylsulfonamido)methyl)phenyl)glycine Deposited 2023-09-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded UII 2-[[3-[[methylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid × 1 ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 50 mM Tris pH 8.0
Resolution 1.11 Å R-free 0.140
8QH8 Human Carbonic Anhydrase II in complex with Lasamide (2,4-Dichloro 5-sulfamoyl benzoic acid) Deposited 2023-09-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 V8I 2,4-dichloro-5-sulfamoylbenzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；1.5 M sodium citrate, 20 mM Tris-HCl (pH 8.0)
Resolution 1.04 Å R-free 0.137
8QHG Human Carbonic Anhydrase IX mimic in complex with Lasamide (2,4-Dichloro 5-sulfamoyl benzoic acid) Deposited 2023-09-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S N67Q E69T I91L F131V G132D V135L K170E L203A C206G V8I 2,4-dichloro-5-sulfamoylbenzoic acid × 1 ZN ZINC ION × 1 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；1.5 M sodium citrate, 50 mM Tris-HCl (pH 7.5)
Resolution 1.91 Å R-free 0.220
8QHJ Human Carbonic Anhydrase XII mimic in complex with Lasamide (2,4-Dichloro-5-sulfamoyl benzoic acid) Deposited 2023-09-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S N67K E69N I91T F131A G132S V135S L203N C206T ZN ZINC ION × 1 V8I 2,4-dichloro-5-sulfamoylbenzoic acid × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；2.6 M ammonium sulfate, 100 mM Tris-HCl (pH 8.3)
Resolution 1.62 Å R-free 0.218
8QHO Human Carbonic Anhydrase II in complex with 3,4-dihydro-1H-benzo[c][1,2]oxaborinin-1-ol Deposited 2023-09-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 ZN ZINC ION × 1 KIX 1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；1.5 M sodium citrate, 0.1 M Tris pH 7.0
Resolution 1.43 Å R-free 0.190
8QKZ Human Carbonic Anhydrase II in complex with 3,4-dihydro-1H-benzo[c][1,2]oxaborinin-1-ol at pH 9.0 Deposited 2023-09-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 KIX 1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；296 K；1.5 M sodium citrate, 50 mM Tris pH pH 9.0
Resolution 1.34 Å R-free 0.151
8QQA human carbonic anhydrase II in complex with Bithionol Deposited 2023-10-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 B1T 2,2'-sulfanediylbis(4,6-dichlorophenol) × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 50 mM Tris pH 8.0
Resolution 1.35 Å R-free 0.164
8QUF carbonic anhydrase XII mimic in complex with 2-(3-((N-(4-sulfamoylbenzyl)pyridine-3-sulfonamido)methyl)phenoxy)acetic acid Deposited 2023-10-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Mutation：yes DMS DIMETHYL SULFOXIDE × 1 ZN ZINC ION × 1 WYZ 2-[3-[[pyridin-3-ylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenoxy]ethanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.7 M ammonium sulfate, 100 mM Tris, pH 8.0
Resolution 1.14 Å R-free 0.178
8R1I Human Carbonic Anhydrase II (hCAII) in complex with (R)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide Deposited 2023-11-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded SBR (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；10 mg/mL hCAII with ligand (at 1:1 molar ratio) in 50 mM deuterated TRIS buffer and 2.7-3.0 M ammonium sulfate at pH 7.8-8.0
Resolution 1.46 Å R-free 0.192
8R2F human carbonic anhydrase II in complex with 4-(((dimethoxyphosphoryl)(4-((dimethoxyphosphoryl)((4-sulfamoylphenyl)amino)methyl)phenyl)methyl)amino)phenyl sulfuramidite Deposited 2023-11-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 XNF 4-[[(~{S})-dimethoxyphosphoryl-[4-[(~{S})-dimethoxyphosphoryl-[(4-sulfamoylphenyl)amino]methyl]phenyl]methyl]amino]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.25 Å R-free 0.170
8R2K Human Carbonic Anhydrase II in complex with 4-((2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-yl)amino)benzenesulfonamide Deposited 2023-11-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 ZN ZINC ION × 1 XPI 4-[[(2~{R})-5-oxidanylidene-2-(2,4,5-trimethoxyphenyl)-2~{H}-furan-4-yl]amino]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.60 Å R-free 0.253
8RAR Crystal structure of chimeric human carbonic anhydrase IX with N-butyl-4-chloro-2-(cyclohexylsulfanyl)-5-sulfamoylbenzamide Deposited 2023-12-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：S65A,Q67N,L91I,V130F,L134V,A203L ZN ZINC ION × 1 YNF ~{N}-butyl-4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；291 K；0.1M Na-Bicine pH9, 2M Na-Malonate pH7, 0.2M Ammonium Sulfate
Resolution 1.15 Å R-free 0.180
8RBP Crystal structure of chimeric human carbonic anhydrase IX with 4-chloro-2-(cyclohexylsulfanyl)-N-(2-hydroxyethyl)-5-sulfamoylbenzamide Deposited 2023-12-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：S65A,Q67N,L91I,V130F,L134V,A203L ZN ZINC ION × 1 EA3 4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide × 1 DMS DIMETHYL SULFOXIDE × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；291 K；0.1M Na-Bicine pH9, 2M Na-Malonate pH7, 0.2M Ammonium Sulfate
Resolution 1.15 Å R-free 0.146
8RJ2 Crystal structure of carbonic anhydrase II with N-butyl-4-chloro-2-(cyclohexylsulfanyl)-5-sulfamoylbenzamide Deposited 2023-12-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 BCN BICINE × 1 YNF ~{N}-butyl-4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291 K；0.1M sodium bicine (pH 9) and 2M sodium malonate (pH 7)
Resolution 1.12 Å R-free 0.176
8RLP Human Carbonic Anhydrase II in complex with veralipride Deposited 2024-01-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 A1H11 Veralipride, (R)- × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.34 Å R-free 0.156
8RLQ Human Carbonic Anhydrase XII mimic in complex with veralipride Deposited 2024-01-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Mutation：A65S, V67K, E69V, I91T, F130A, G131S, V134S, L203N, C205V DMS DIMETHYL SULFOXIDE × 2 A1H11 Veralipride, (R)- × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；2.8 M ammonium sulfate, 100 mM Tris, pH 8.0
Resolution 1.50 Å R-free 0.192
8RNS Human Carbonic Anhydrase XII mimic in complex with biguanide derivative inhibitor 1-carbamimidamido-N-[(4 sulfamoylphenyl)methyl]methanimidamide Deposited 2024-01-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S N67K E69N I91T F131A G132S V135S L203N C206T ZN ZINC ION × 1 A1H15 1-carbamimidoyl-3-[(4-sulfamoylphenyl)methyl]guanidine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；1 M sodium citrate, 50 mM Tris-HCl (pH 7.5)
Resolution 1.14 Å R-free 0.161
8ROU Human Carbonic Anhydrase II in complex with biguanide derivative inhibitor 1-carbamimidamido-N-[(4 sulfamoylphenyl)methyl]methanimidamide Deposited 2024-01-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 A1H15 1-carbamimidoyl-3-[(4-sulfamoylphenyl)methyl]guanidine × 1 PE3 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL × 1 1PE PENTAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；1.5 M sodium citrate, 50 mM Tris-HCl (pH 8.0)
Resolution 1.08 Å R-free 0.152
8ROW Human Carbonic Anhydrase II in complex with biguanide derivative inhibitor 1-carbamimidamido-N-[(4 sulfamoylphenyl)methyl]methanimidamide, using glycerol as cryoprotectant Deposited 2024-01-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 A1H15 1-carbamimidoyl-3-[(4-sulfamoylphenyl)methyl]guanidine × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；1.5 M sodium citrate, 50 mM Tris-HCl (pH 8.0)
Resolution 1.05 Å R-free 0.139
8SAF CA II in complex with the coumarin benzene sulfonamide SG1-51 Deposited 2023-03-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 ZUJ 2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM tris base
Resolution 1.23 Å R-free 0.237
8SAG Carbonic anhydrase II in complex with the coumarin benzene sulfonamide SG1-57 Deposited 2023-03-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 ZN ZINC ION × 1 ZUS 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate 50mM tris base
Resolution 1.52 Å R-free 0.191
8SD1 Carbonic anhydrase II radiation damage RT 1-30 Deposited 2023-04-06 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM tris base
Resolution 1.30 Å R-free 0.149
8SD6 Carbonic anhydrase II radiation damage RT 31-60 Deposited 2023-04-06 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM Tris base
Resolution 1.40 Å R-free 0.154
8SD7 Carbonic anhydrase II radiation damage RT 61-90 Deposited 2023-04-06 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM Tris base
Resolution 1.70 Å R-free 0.153
8SD8 Carbonic anhydrase II radiation damage RT 91-120 Deposited 2023-04-06 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.6 M sodium citrate, 50 mM Tris base
Resolution 1.79 Å R-free 0.160
8SD9 Carbonic anhydrase II radiation damage RT 121-150 Deposited 2023-04-06 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM Tris base
Resolution 1.90 Å R-free 0.163
8SF1 Carbonic anhydrase II XFEL radiation damage RT Deposited 2023-04-10 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.6 M sodium citrate, 50 mM tris base
Resolution 1.70 Å R-free 0.207
8TTR CA9 mimic bound to SH7 Deposited 2023-08-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67Q, E69T, I91L, F130V, G131D, V134L, K169E, L203A, C205G ZN ZINC ION × 1 LGO 4-{5-phenyl-4-[(4-sulfamoylphenyl)carbamamido]-1H-pyrazol-1-yl}benzene-1-sulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；CA9 mimic crystals were obtained in sitting drop plates with seeding. The protein concentration was about 5.5 mg/mL, 150 nL was added to 120 nL of reservoir and 30 nL of seeds. The reservoir consisted of 2.6 to 2.8 M ammonium sulfate with 100 mM tris buffer at pH 8.0 to 9.0
Resolution 1.45 Å R-free 0.187
8UFW CA9 mimic with SLC compound Deposited 2023-10-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, G132D, V135L, K170E, L204A, C206G ZN ZINC ION × 1 WJN 4-{[4-(trifluoromethyl)phenyl]carbamamido}benzene-1-sulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；The protein was set up in MRC2 plates in 100 nL plus 100 nL drops with the protein at 5 mg/mL with reservoir solutions being 2.6 to 2.9 M ammonium sulfate and 100 mM Tris buffer at pH 8.3 to 8.9
Resolution 1.22 Å R-free 0.143
8UFX CAII with SLC compound Deposited 2023-10-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded WJN 4-{[4-(trifluoromethyl)phenyl]carbamamido}benzene-1-sulfonamide × 1 GOL GLYCEROL × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；The protein was set up in MRC-2 plates (Molecular Dimensions, Sheffield, UK) using a Phoenix robot (Art Robbins Instruments, Sunnyvale, CA, USA) in 250 nL plus 250 nL drops with the protein at 4.2 mg/mL with the reservoir solutions being 2.5 to 2.8 M ammonium sulfate and 50 to 100 mM Tris buffer pH 8.1 to 8.9
Resolution 1.21 Å R-free 0.147
8VQ5 hCA-II-Bivalent compound bound complex EthylUreadibenzensulfonamide Deposited 2024-01-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 A1ADH 4,4'-[carbonylbis(azanediylethane-2,1-diyl)]di(benzene-1-sulfonamide) × 1 ZYX 4-(2-AMINOETHYL)BENZENESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；2.1 M Malonate, Tris, pH 8.5
Resolution 1.50 Å R-free 0.159
8VQ6 hCA-II-4-(2-Aminoethyl)benzenesulfonamide-complex. Two molecules of inhibitor bound to active site and secondary binding pocket Deposited 2024-01-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 ZYX 4-(2-AMINOETHYL)BENZENESULFONAMIDE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.5 M NaCit, 0.1 M Tris, pH 8.5
Resolution 1.45 Å R-free 0.189
8VQ7 hCA-II-apo structure Deposited 2024-01-17 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；2.1 M Malonate, Tris, pH 8.5
Resolution 1.41 Å R-free 0.172
8VZG Carbonic anhydrase II mutant with DRD function Deposited 2024-02-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：S56N AZM 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE × 1 FLC CITRATE ANION × 1 GOL GLYCEROL × 3 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；1.45M sodium citrate, 0.1M Tris-HCl pH 8.0, 4% v/v Polypropylene glycol P 400
Resolution 1.79 Å R-free 0.181
8WEP Zn-Carbonic Anhydrase II 5 atm of CO2 pressure (pH 7.8) Deposited 2023-09-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3M sodium citrate, 50mM Tris-HCl
Resolution 1.20 Å R-free 0.136
8WER Carbonic Anhydrase II T200V variant 0 atm CO2 pressure (pH 7.8) Deposited 2023-09-18 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：T200V ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3M sodium citrate, 50mM Tris-HCl
Resolution 1.42 Å R-free 0.155
8WES Carbonic Anhydrase II T200V variant 5 atm CO2 pressure (pH 7.8) Deposited 2023-09-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：T200V ZN ZINC ION × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3M sodium citrate, 50mM Tris-HCl
Resolution 1.45 Å R-free 0.158
8ZWV The Crystal Structure of carbonic anhydrase II from Biortus. Deposited 2024-06-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded V7Z methanesulfonamide × 1 ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M CaCl2, 0.1M Hepes pH7.5, 30% PEG4,000
Resolution 1.50 Å R-free 0.187
9CA2 ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II Deposited 1991-07-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–259（259 aa）
Not recorded ZN ZINC ION × 1 HG MERCURY (II) ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.80 Å
9EN8 Human Carbonic Anhydrase II in complex with (4-{[(4-sulfamoylphenyl)amino]methyl}phenyl)boronic acid Deposited 2024-03-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 A1H53 [4-[[(4-sulfamoylphenyl)amino]methyl]phenyl]boronic acid × 2 P6G HEXAETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；1.5 M sodium citrate, 50 mM Tris-HCl (pH 8.0)
Resolution 1.10 Å R-free 0.121
9EN9 Human Carbonic Anhydrase IX-mimic in complex with (4-{[(4-sulfamoylphenyl)amino]methyl}phenyl)boronic acid Deposited 2024-03-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S N67Q E69T I91L F131V G132D V135L K170E L203A C206G A1H53 [4-[[(4-sulfamoylphenyl)amino]methyl]phenyl]boronic acid × 1 ZN ZINC ION × 1 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；1.5 M sodium citrate, 50 mM Tris-HCl (pH 7.5)
Resolution 2.02 Å R-free 0.251
9F15 Carbonic anhydrase II variant with bound iron complex Deposited 2024-04-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded A1H9O 4,4,7,10,10-pentamethyl-3,6,8,11-tetrakis(oxidanylidene)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5,7,9,12-pentazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-15-carboxamide containing iron × 1 V7Z methanesulfonamide × 1 ACT ACETATE ION × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.2 M Na Acet, 0.1 M Na Cacod 6.5 pH, 30 %w/v PEG 8K
Resolution 1.93 Å R-free 0.241
9F2E Carbonic anhydrase II variant with bound iron complex in space group C2 (ArPase) Deposited 2024-04-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded A1H9O 4,4,7,10,10-pentamethyl-3,6,8,11-tetrakis(oxidanylidene)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5,7,9,12-pentazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-15-carboxamide containing iron × 1 ZN ZINC ION × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M Sodium acetate trihydrate, 0.1M Bis-Tris5.5, 25% w/v PEG 3350
Resolution 2.02 Å R-free 0.225
9F2F Carbonic anhydrase II variant with bound iron complex in space group R3 (ArPase) Deposited 2024-04-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded A1H9O 4,4,7,10,10-pentamethyl-3,6,8,11-tetrakis(oxidanylidene)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5,7,9,12-pentazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-15-carboxamide containing iron × 1 ZN ZINC ION × 4 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M Magnesium acetate tetrahydrate, 0.1M MOPS pH 7.5, 12% w/v PEG 8000
Resolution 1.52 Å R-free 0.167
9F2F Carbonic anhydrase II variant with bound iron complex in space group R3 (ArPase) Deposited 2024-04-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–260（260 aa）
Not recorded A1H9O 4,4,7,10,10-pentamethyl-3,6,8,11-tetrakis(oxidanylidene)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5,7,9,12-pentazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-15-carboxamide containing iron × 1 ZN ZINC ION × 4 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M Magnesium acetate tetrahydrate, 0.1M MOPS pH 7.5, 12% w/v PEG 8000
Resolution 1.52 Å R-free 0.167
9F2F Carbonic anhydrase II variant with bound iron complex in space group R3 (ArPase) Deposited 2024-04-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–260（260 aa）
Not recorded A1H9O 4,4,7,10,10-pentamethyl-3,6,8,11-tetrakis(oxidanylidene)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5,7,9,12-pentazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-15-carboxamide containing iron × 1 ZN ZINC ION × 2 EDO 1,2-ETHANEDIOL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M Magnesium acetate tetrahydrate, 0.1M MOPS pH 7.5, 12% w/v PEG 8000
Resolution 1.52 Å R-free 0.167
9F2F Carbonic anhydrase II variant with bound iron complex in space group R3 (ArPase) Deposited 2024-04-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–260（260 aa）
Not recorded A1H9O 4,4,7,10,10-pentamethyl-3,6,8,11-tetrakis(oxidanylidene)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5,7,9,12-pentazabicyclo[11.4.0]heptadeca-1(13),14,16-triene-15-carboxamide containing iron × 1 ZN ZINC ION × 4 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M Magnesium acetate tetrahydrate, 0.1M MOPS pH 7.5, 12% w/v PEG 8000
Resolution 1.52 Å R-free 0.167
9FAI Human carbonic anhydrase II complexed with 2-hydroselenobenzoic acid Deposited 2024-05-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 ACT ACETATE ION × 1 ZN ZINC ION × 1 A1IBT 2-selanylbenzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.27 Å R-free 0.152
9FAO Human Carbonic Anhydrase II in complex with 2-mercaptobenzoic acid Deposited 2024-05-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 JKE 2-sulfanylbenzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.21 Å R-free 0.143
9FJQ Structure of human carbonic anhydrase II complexed with 4-benzyl-5,7,8-trifluoro-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-sulfonamide 1,1-dioxide Deposited 2024-05-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 A1IDL 5,7,8-tris(fluoranyl)-1,1-bis(oxidanylidene)-4-(phenylmethyl)-2,3-dihydro-1$l^{6},4-benzothiazine-6-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；Bicine pH 9 0.1M, Sodium Malonate pH 7 2M
Resolution 1.10 Å R-free 0.168
9FJV Structure of human carbonic anhydrase II complexed with 4-(cyclooctylmethyl)-5,7,8-trifluoro-3,4-dihydro-2H-benzo[b][1,4]thiazine-6- sulfonamide 1,1-dioxide Deposited 2024-05-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 2 A1IDN 4-(cyclooctylmethyl)-5,7,8-tris(fluoranyl)-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6},4-benzothiazine-6-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；Sodium-Bicine pH 9 0.1M; Sodium-Malonate pH7 2M
Resolution 1.20 Å R-free 0.162
9FPQ Crystal structure of carbonic anhydrase II with methyl 4-benzylsulfanyl-3-sulfamoyl-benzoate Deposited 2024-06-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 A1IEL methyl 4-(phenylmethylsulfanyl)-3-sulfamoyl-benzoate × 1 BCN BICINE × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.50 Å R-free 0.197
9FPR Crystal structure of carbonic anhydrase II with methyl 4-(2-phenylethylsulfanyl)-3-sulfamoyl-benzoate Deposited 2024-06-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 A1IEN methyl 4-(2-phenylethylsulfanyl)-3-sulfamoyl-benzoate × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1M sodium BICINE, pH 9, 0.2 M ammonium sulfate and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate
Resolution 1.46 Å R-free 0.209
9FPS Crystal structure of carbonic anhydrase II with methyl 4-methylsulfanyl-3-sulfamoyl-benzoate Deposited 2024-06-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 A1IEM methyl 4-methylsulfanyl-3-sulfamoyl-benzoate × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1M sodium bicine (pH 9) and 2M sodium malonate (pH 7)
Resolution 1.39 Å R-free 0.190
9FPT Crystal structure of carbonic anhydrase II with methyl 4-chloro-3-sulfamoyl-benzoate Deposited 2024-06-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 A1IEO methyl 4-chloranyl-3-sulfamoyl-benzoate × 1 NA SODIUM ION × 1 DMS DIMETHYL SULFOXIDE × 1 BCN BICINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1M sodium bicine (pH 9) and 2M sodium malonate (pH 7)
Resolution 1.18 Å R-free 0.175
9FPU Crystal structure of carbonic anhydrase II with N-butyl-4-chloro-3-sulfamoyl-benzamide Deposited 2024-06-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 A1IEP ~{N}-butyl-4-chloranyl-3-sulfamoyl-benzamide × 1 NA SODIUM ION × 1 BCN BICINE × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1M sodium bicine (pH 9) and 2M sodium malonate (pH 7)
Resolution 1.12 Å R-free 0.174
9G38 CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH SALVIANOLIC ACID P Deposited 2024-07-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded A1IH2 Salvianolic acid P × 1 ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.3 M sodium citrate, 60 mM Tris-HCl
Resolution 1.20 Å R-free 0.157
9GAJ X-ray structure of HCA(II)/aromatic foldamer complex Deposited 2024-07-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；lithium sulfate, TRIS, PEG 4000, sodium azide
Resolution 1.64 Å R-free 0.211
9GAK X-ray structure of HCA(II)/aromatic foldamer complex Deposited 2024-07-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.8；293 K；0.2M Lithium sulfate, 0.1M TRIS pH 8.8, 18% PEG 4000, 3mM sodium azide
Resolution 2.11 Å R-free 0.252
9GAM X-ray structure of HCA(II)/aromatic foldamer complex Deposited 2024-07-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.2 M lithium sulfate, 0.1 M TRIS pH 8.5, PEG 4000 20%, 3 mM sodium azide
Resolution 1.40 Å R-free 0.182
9GFV HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH 4-methylphenyl-boronic acid Deposited 2024-08-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 A1IKU (4-methylphenyl)-tris(oxidanyl)boron × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；1.3 M SODIUM CITRATE, 0.1 M TRIS-HCL
Resolution 1.14 Å R-free 0.145
9GFW HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH 4-methylphenyl-boronic acid at pH 7.4 Deposited 2024-08-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 A1IKU (4-methylphenyl)-tris(oxidanyl)boron × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 MBO MERCURIBENZOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；AMMONIUM SULPHATE 2.8 M, TRIS-HCL 50 MM, 4-HYDROXYMERCURYBENZOATE
Resolution 1.07 Å R-free 0.162
9GFX Huma Carbonic anhydrase II in complex with trans-2-phenylvinylboronic acid Deposited 2024-08-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 A1IKR tris(oxidanyl)-[(~{E})-2-phenylethenyl]boron × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；1.3 M SODIUM CITRATE, 0.1 M TRIS-HCL
Resolution 1.35 Å R-free 0.148
9GOO Crystal structure of human carbonic anhydrase II in complex with PCI-27483 Deposited 2024-09-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded A1IOK PCI-27483 × 1 EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.40 Å R-free 0.193
9GU7 Human carbonic anhydrase II complexed with N-phenyl-2-(1H-tetrazol-5-yl)acetamide Deposited 2024-09-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded A1IOX N-phenyl-2-(1H-tetrazol-5-yl)acetamide × 1 EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.35 Å R-free 0.165
9GUM Human carbonic anhydrase II complexed with N-phenethyl-2-(1H-tetrazol-5-yl)acetamide Deposited 2024-09-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded A1IO3 N-phenethyl-2-(1H-tetrazol-5-yl)acetamide × 1 EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.70 Å R-free 0.248
9GUO Human carbonic anhydrase II complexed with 2-(1H-tetrazol-5-yl)acetic acid Deposited 2024-09-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded BXH ethyl 2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoate × 1 EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.65 Å R-free 0.247
9H0V Human Carbonic Anhydrase II in complex with biguanide derivative inhibitor 1-carbamimidamido-N-[2-(4-sulfamoylphenyl)ethyl]methanimidamide Deposited 2024-10-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 A1IRV 1-carbamimidoyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 20 mM Tris-HCl
Resolution 1.40 Å R-free 0.138
9H0W Human Carbonic Anhydrase II in complex with B-Thujaplicin (2-hydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one) Deposited 2024-10-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 A1IRU 2-oxidanyl-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 20 mM Tris-HCl
Resolution 1.44 Å R-free 0.196
9H3H Human Carbonic anhydrase II crystallization and structure determination at room temperature in the CrystalChip Deposited 2024-10-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–260（257 aa） Fragment：lyase
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions COUNTER-DIFFUSION；pH 7.8；293 K；Protein crystallized by counter-diffusion in the CrystalChip, stock solution 35 mg/mL, in a reservoir containing 50 mM Tris, 1.6 M sodium citrate, at pH 7.8
Resolution 1.80 Å R-free 0.215
9HD6 Human Carbonic anhydrase II in complex with 4-fluoro-1-hydroxypyridine-2(1H)-thione Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 A1IT7 4-fluoranyl-1-oxidanyl-pyridine-2-thione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.60 Å R-free 0.226
9HGP Human Carbonic Anhydrase II in complex with a synthetic aromatic oligoamide foldamer Deposited 2024-11-20 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 3–260（258 aa）
Not recorded ZN ZINC ION × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；25% PEG 4000, 200 mM Li2SO4, 100 mM Tris pH 8.5
Resolution 2.05 Å R-free 0.231
9HNX Crystal structure of human carbonic anhydrase II in complex with N-benzyl-2-(2-chloro-N-(4-sulfamoylphenethyl)acetamido)-2-phenylacetamide Deposited 2024-12-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 A1IWH (2~{R})-2-[2-chloranylethanoyl-[2-(4-sulfamoylphenyl)ethyl]amino]-2-phenyl-~{N}-(phenylmethyl)ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.35 Å R-free 0.174
9HQ3 Crystal structure of human carbonic anhydrase II in complex with N-(2-(benzylamino)-2-oxo-1-(4-sulfamoylphenyl)ethyl)-N-(3-chloro-4-methoxyphenyl)-3-(trimethylsilyl)propiolamide Deposited 2024-12-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 A1IWY ~{N}-(3-chloranyl-4-methoxy-phenyl)-~{N}-[(1~{S})-2-oxidanylidene-2-[(phenylmethyl)amino]-1-(4-sulfamoylphenyl)ethyl]-3-trimethylsilyl-prop-2-ynamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.50 Å R-free 0.185
9HQG Crystal structure of human carbonic anhydrase II in complex with 2-chloro-N-(3-chloro-4-methoxyphenyl)-N-(2-oxo-2-((4-sulfamoylphenethyl)amino)-1-(thiophen-2-yl)ethyl)acetamide Deposited 2024-12-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 A1IWX (2~{R})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{N}-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.32 Å R-free 0.174
9HWM Human carbonic anhydrase II in complex with methyl 3-((2-hydroxy-5-sulfamoylphenyl)amino)propanoate Deposited 2025-01-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 DMS DIMETHYL SULFOXIDE × 1 A1IX5 methyl 3-[(2-oxidanyl-5-sulfamoyl-phenyl)amino]propanoate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；Sodium Bicine pH 9.0 0.1M, Sodium Malonate pH 7.0 2M, Ammonium Sulfate 0.2M
Resolution 1.15 Å R-free 0.173
9HXZ crystal structure of human carbonic anhydrase II in complex with sonepiprazole Deposited 2025-01-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 A1IS9 Sonepiprazole × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.32 Å R-free 0.153
9I29 Human Carbonic Anhydrase II in complex with N-(2-(benzylamino)-2-oxo-1-(4-sulfamoylphenyl)ethyl)-N-(3-chloro-4-methoxyphenyl)propiolamide Deposited 2025-01-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 1 ZN ZINC ION × 1 A1IZC ~{N}-(3-chloranyl-4-methoxy-phenyl)-~{N}-[(1~{S})-2-oxidanylidene-2-[(phenylmethyl)amino]-1-(4-sulfamoylphenyl)ethyl]prop-2-ynamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.62 Å R-free 0.196
9JWE Native Carbonic Anhydrase II pH 7.8 0 atm CO2 Deposited 2024-10-10 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293.15 K；1.3M of Sodium Citrate, 50mM Tris-HCl pH 7.8
Resolution 1.29 Å R-free 0.170
9JWU T200H Carbonic Anhydrase II pH 7.8 0 atm CO2 Deposited 2024-10-10 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：T200H ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293.15 K；1.3M of Sodium Citrate, 50mM Tris-HCl pH 7.8
Resolution 1.23 Å R-free 0.175
9JWW T200H Carbonic Anhydrase II pH 7.8 20 atm CO2 Deposited 2024-10-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：T200H ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；1.3M of Sodium Citrate, 50mM Tris-HCl pH 7.8
Resolution 1.25 Å R-free 0.159
9KH8 Co-Carbonic Anhydrase II complexed with 3NPA before UV at 100 K Deposited 2024-11-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO COBALT (II) ION × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.164
9KI2 apo- Carbonic Anhydrase II pH 7.8 1.5 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.132
9KI3 apo- Carbonic Anhydrase II pH 7.8 2.5 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.140
9KI4 apo- Carbonic Anhydrase II pH 7.8 5.0 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 CO2 CARBON DIOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.146
9KI5 apo- Carbonic Anhydrase II pH 7.8 7.0 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 CO2 CARBON DIOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.136
9KI6 apo- Carbonic Anhydrase II pH 7.8 15 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 CO2 CARBON DIOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.138
9KI7 Zn- Carbonic Anhydrase II pH 7.8 1.5 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.156
9KI8 Zn- Carbonic Anhydrase II pH 7.8 2.5 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.130
9KI9 Zn- Carbonic Anhydrase II pH 7.8 5.0 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.136
9KIA Zn- Carbonic Anhydrase II pH 7.8 7.0 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.140
9KIB Zn- Carbonic Anhydrase II pH 7.8 15 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.129
9KIC Zn- Carbonic Anhydrase II pH 11.0 1.5 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.143
9KID Zn- Carbonic Anhydrase II pH 11.0 2.5 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.141
9KIE Zn- Carbonic Anhydrase II pH 11.0 5.0 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 GOL GLYCEROL × 1 CO2 CARBON DIOXIDE × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.148
9KIF Zn- Carbonic Anhydrase II pH 11.0 7.0 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.142
9KIG Zn- Carbonic Anhydrase II pH 11.0 15 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.132
9KIH Co- Carbonic Anhydrase II pH 7.8 1.5 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 CO COBALT (II) ION × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.148
9KII Co- Carbonic Anhydrase II pH 7.8 2.5 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 CO COBALT (II) ION × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.147
9KIJ Co- Carbonic Anhydrase II pH 7.8 5.0 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 CO COBALT (II) ION × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.147
9KIK Co- Carbonic Anhydrase II pH 7.8 7.0 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO2 CARBON DIOXIDE × 1 GOL GLYCEROL × 1 CO COBALT (II) ION × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.141
9KIL Co- Carbonic Anhydrase II pH 7.8 15 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO2 CARBON DIOXIDE × 1 GOL GLYCEROL × 1 CO COBALT (II) ION × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.137
9KIM Co- Carbonic Anhydrase II pH 11.0 1.5 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 CO COBALT (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.152
9KIN Co- Carbonic Anhydrase II pH 11.0 2.5 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 CO COBALT (II) ION × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.156
9KIO Co- Carbonic Anhydrase II pH 11.0 5.0 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 CO COBALT (II) ION × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.156
9KIP Co- Carbonic Anhydrase II pH 11.0 7.0 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO2 CARBON DIOXIDE × 1 GOL GLYCEROL × 1 CO COBALT (II) ION × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.146
9KIQ Co- Carbonic Anhydrase II pH 11.0 15 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO2 CARBON DIOXIDE × 2 GOL GLYCEROL × 1 CO COBALT (II) ION × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.135
9KIR Ni- Carbonic Anhydrase II pH 7.8 1.5 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.143
9KIS Ni- Carbonic Anhydrase II pH 7.8 2.5 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 NI NICKEL (II) ION × 2 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.150
9KIT Ni- Carbonic Anhydrase II pH 7.8 5.0 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 NI NICKEL (II) ION × 2 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.149
9KIU Ni- Carbonic Anhydrase II pH 7.8 7.0 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO2 CARBON DIOXIDE × 1 GOL GLYCEROL × 1 NI NICKEL (II) ION × 2 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.140
9KIV Ni- Carbonic Anhydrase II pH 7.8 15 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO2 CARBON DIOXIDE × 1 GOL GLYCEROL × 1 NI NICKEL (II) ION × 2 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.133
9KIW Ni- Carbonic Anhydrase II pH 11.0 1.5 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.156
9KIX Ni- Carbonic Anhydrase II pH 11.0 2.5 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 NI NICKEL (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.146
9KIY Ni- Carbonic Anhydrase II pH 11.0 5.0 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 NI NICKEL (II) ION × 2 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.143
9KIZ Ni- Carbonic Anhydrase II pH 11.0 7.0 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO2 CARBON DIOXIDE × 1 GOL GLYCEROL × 1 NI NICKEL (II) ION × 2 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.137
9KJ0 Ni- Carbonic Anhydrase II pH 11.0 15 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO2 CARBON DIOXIDE × 1 GOL GLYCEROL × 1 NI NICKEL (II) ION × 2 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 11；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.136
9KJ1 Cu- Carbonic Anhydrase II pH 7.8 1.5 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 CU COPPER (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.139
9KJ2 Cu- Carbonic Anhydrase II pH 7.8 2.5 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 CU COPPER (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.145
9KJ3 Cu- Carbonic Anhydrase II pH 7.8 5.0 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded GOL GLYCEROL × 1 CU COPPER (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.148
9KJ4 Cu- Carbonic Anhydrase II pH 7.8 7.0 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO2 CARBON DIOXIDE × 1 GOL GLYCEROL × 1 CU COPPER (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.134
9KJ5 Cu- Carbonic Anhydrase II pH 7.8 15 atm CO2 Deposited 2024-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded CO2 CARBON DIOXIDE × 1 GOL GLYCEROL × 1 CU COPPER (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.129
9L2X Zn-Carbonic Anhydrase II complexed with 3NPA under 15 atm CO2 Deposited 2024-12-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.14 Å R-free 0.152
9L2Y Zn-Carbonic Anhydrase II complexed with 3NPA at 90 K Deposited 2024-12-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MNP 2-(3-NITROPHENYL)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.178
9L2Z Zn-Carbonic Anhydrase II complexed with 3NPA at 120 K Deposited 2024-12-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MNP 2-(3-NITROPHENYL)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.178
9L30 Zn-Carbonic Anhydrase II complexed with 3NPA at 140 K Deposited 2024-12-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MNP 2-(3-NITROPHENYL)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.179
9L31 Zn-Carbonic Anhydrase II complexed with 3NPA at 160 K Deposited 2024-12-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MNP 2-(3-NITROPHENYL)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.178
9L32 Zn-Carbonic Anhydrase II complexed with 3NPA at 180 K Deposited 2024-12-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MNP 2-(3-NITROPHENYL)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.20 Å R-free 0.176
9L33 Zn-Carbonic Anhydrase II complexed with 3NPA at 200 K Deposited 2024-12-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MNP 2-(3-NITROPHENYL)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.35 Å R-free 0.176
9LDO Zn-Carbonic Anhydrase II soaked with 3NT Deposited 2025-01-06 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.14 Å R-free 0.171
9LDP Zn-Carbonic Anhydrase II soaked with 3NT under 15 atm CO2 Deposited 2025-01-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 CO2 CARBON DIOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.14 Å R-free 0.175
9LR6 Zn-Carbonic Anhydrase II complexed with 3NPA at RT Deposited 2025-01-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 MNP 2-(3-NITROPHENYL)ACETIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；1.3 M sodium citrate, 50 mM Tris-HCl
Resolution 1.25 Å R-free 0.144
9O8X Cryo structure of human carbonic anhydrase IX mimic in complex with vorinostat (drug soak) Deposited 2025-04-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 SHH OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293.15 K；50 mM Tris HCl pH 8.0, 1.25 M Sodium citrate
Resolution 1.40 Å R-free 0.179
9OAF Room temperature structure of human carbonic anhydrase IX mimic in complex with vorinostat (drug soak) Deposited 2025-04-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：A65S, N67Q, E69T, I91L, F131V, K170E, L204A ZN ZINC ION × 1 SHH OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；50 mM Tris HCl pH 8.0, 1.25 M sodium citrate
Resolution 1.40 Å R-free 0.174
9OAM Room temperature structure of carbonic anhydrase II in complex with vorinostat (co-crystal) Deposited 2025-04-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 SHH OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；293 K；50 mM Tris HCl pH 8.0, 1.25 M sodium citrate
Resolution 1.40 Å R-free 0.171
9OBJ Room temperature structure of carbonic anhydrase II in complex with vorinostat (drug soak) Deposited 2025-04-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 SHH OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；50 mM Tris HCl pH 8.0, 1.25 M sodium citrate
Resolution 1.40 Å R-free 0.176
9P0W Human carbonic anhydrase II in complex with TDP4 Deposited 2025-06-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 A1CF5 3,3,3-trifluoro-2,2-dihydroxy-1-(4-methoxyphenyl)propan-1-one × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；293 K；50 mM Tris HCl pH 7.8, 1.6 M Sodium Citrate
Resolution 1.88 Å R-free 0.190
9RAY Crystal structure of human carbonic anhydrase I in complex with N-benzyl-2-(2-chloro-N-(3-chloro-4-methoxyphenyl)acetamido)-2-(4-sulfamoylphenyl)acetamide Deposited 2025-05-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–260（260 aa）
Not recorded ZN ZINC ION × 1 A1JD1 N-benzyl-2-(2-chloro-N-(3-chloro-4-methoxyphenyl)acetamido)-2-(4-sulfamoylphenyl)acetamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；296 K；1.5 M sodium citrate, 0.1 M Tris pH 8.0
Resolution 1.31 Å R-free 0.223
9TYE Crystal structure of a phosphocoumarin derivative in complex with human carbonic anhydrase II Deposited 2026-01-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Not recorded ZN ZINC ION × 1 A1JX9 7-methoxy-2-oxidanyl-3,4-dihydro-1,2$l^{5}-benzoxaphosphinine 2-oxide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1.3 M sodium citrate, 0.1 M Tris-HCl, pH 8.0
Resolution 1.65 Å R-free 0.172
9U5B T200H Carbonic Anhydrase II pH 7.8 5 atm CO2 Deposited 2025-03-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–260（260 aa）
Mutation：T200H ZN ZINC ION × 1 BCT BICARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293.15 K；1.3M of Sodium Citrate 50mM Tris-HCl pH 7.8
Resolution 1.25 Å R-free 0.170

1239 other PDB entries and 1272 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CAH2_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 3–260； UniProt 3–260

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 6nj4

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6nj4
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6nj4
Deposition date deposition_date2019-01-02
Structure title titleThermostable variant of human carbonic anhydrase with disordered tetrazine 2.0 reacted with strained trans-cyclooctene at site 233
Keywords keywordsgenetic code expansion, thermostability, protein engineering, LYASE; LYASE
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier19.13 Å
Radius of gyration Rg (electron density) rg_electron17.73 Å
Forward intensity I(0) i016027300.00
Molecular weight molecular_weight29989.0 kDa
Excluded volume excluded_volume37354 ų
Envelope volume envelope_volume42047 ų
Hydration-shell volume shell_volume19371 ų
Envelope diameter envelope_diameter71.5 Å
Shell Rg shell_rg24.52 Å
Envelope Rg envelope_rg18.17 Å
Shape Rg shape_rg17.73 Å
Total Rg total_rg18.68 Å
Total atoms total_atoms4147
Residues n_residues264
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax69.8 Å
Rg (real space) rg_real19.00 Å
Rg uncertainty (real space) rg_real_error0.58 Å
I(0) (real space) i0_real1.6030e+07
I(0) uncertainty (real space) i0_real_error2.2880e+05
Rg (reciprocal space) rg_reciprocal19.02 Å
I(0) (reciprocal space) i0_reciprocal16030000.0000
Solution quality estimate total_estimate0.7528
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks3
Primary peak position r_peak_primary25.2 Å
Skewness Skewness skewness0.144
Kurtosis Kurtosis kurtosis-0.286
Angular range angular_range— – 0.4150 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha3039000.0000
Real-space data points n_real_points73
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.599; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.000
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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7. Fold Classification (SCOP + CATH) 3 domains

SCOP 2.08 (3 domains)

Domain ID domain_idd6nj4a1
Class classb — All beta proteins
Fold Fold foldb.74 — Carbonic anhydrase
Superfamily Superfamily superfamilyb.74.1 — Carbonic anhydrase
Family Family familyb.74.1.1 — Carbonic anhydrase
Domain ID domain_idd6nj4a2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd6nj4a3
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
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8. Citations (1)

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9. Files and Curves (10)