CARBONIC ANHYDRASE 2
HOMO SAPIENS
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 1–260 | 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 |
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 4CQ0 | 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 | 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 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 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 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 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 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 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 | 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 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 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 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 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 | 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 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 | 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 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 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 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 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 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 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 | 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 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 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 | 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 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 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 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 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 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 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 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 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 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 | 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 ligand/ion 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 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 | 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 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 ligand/ion 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 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 | 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 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 | 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 ligand/ion Different experimental conditions Different structure-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 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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 | 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 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 | 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 mutation/modification Different ligand/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 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 mutation/modification Different ligand/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 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 mutation/modification Different ligand/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 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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 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 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 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 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 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：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 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：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 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 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 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 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 | 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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：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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 |
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 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 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 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 |
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 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 |
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 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 |
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 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 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：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 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：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 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：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 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 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 |
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 ligand/ion 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 ligand/ion 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 ligand/ion 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 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 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 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 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 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 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 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 |
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 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 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 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 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 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 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 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 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 | 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 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 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 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 |
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 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 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 | 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 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 | 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 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 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 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 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 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 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 mutation/modification Different ligand/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：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 mutation/modification Different ligand/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 |
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 mutation/modification Different ligand/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 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 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 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 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 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 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 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 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 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 |
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 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 |
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 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 |
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 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 |
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 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 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 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 ligand/ion Different experimental conditions Different structure-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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 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 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 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 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 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 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 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 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 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 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 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 ligand/ion Different experimental conditions Different structure-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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 |
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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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：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 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：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 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：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 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：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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 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 |
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 ligand/ion Different experimental conditions Different structure-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 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 ligand/ion Different experimental conditions Different structure-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 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 |
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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 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 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 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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 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 |
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 mutation/modification Different ligand/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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 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 ligand/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 ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/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 |
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 ligand/ion Different 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 ligand/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 ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 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 ligand/ion Different experimental conditions Different structure-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 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 |
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 ligand/ion Different experimental conditions Different structure-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 ligand/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 ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different structure-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 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 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 mutation/modification Different ligand/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：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 mutation/modification Different ligand/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：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 mutation/modification Different ligand/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：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 construct 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 mutation/modification Different ligand/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 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 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 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 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 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 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 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 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 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 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 construct 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 construct 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 construct 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 construct 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 construct 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 construct 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 construct 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 construct 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 construct 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
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 construct 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：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 construct 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 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 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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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 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 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 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 mutation/modification Different ligand/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, 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 ligand/ion Different experimental conditions Different structure-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 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 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 ligand/ion Different 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 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 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 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 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 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.20 Å |
| 4DZ7 hCA II in complex with novel sulfonamide inhibitors Set D Deposited 2012-02-29 | Different ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 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 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：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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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 ligand/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 construct 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 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 ligand/ion Different experimental conditions Different structure-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 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 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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 |
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 mutation/modification Different ligand/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 construct Different 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 construct Different 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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 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 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 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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 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 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 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 construct 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 construct 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 construct 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 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 |
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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 construct 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different structure-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 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 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 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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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：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 mutation/modification Different ligand/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 ligand/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：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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion 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 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 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 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 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 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 ligand/ion 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 construct 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 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 construct 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 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 construct 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 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）
|
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 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 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 ligand/ion Different experimental conditions Different structure-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 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 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 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 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 construct Different 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 construct Different 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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different structure-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 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 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 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 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 ligand/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 ligand/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 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 ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 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 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 ligand/ion Different experimental conditions Different structure-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 construct 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/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 ligand/ion Different 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 ligand/ion Different 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 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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 construct 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 construct 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 construct 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 construct 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 construct 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 construct 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 construct 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 construct 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 construct 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 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 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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 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 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 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 construct 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)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8；296 K；1.5 M sodium citrate, Tris 50 mM
|
Resolution 1.05 Å R-free 0.148 |
| 5LJT Crystal structure of human carbonic anhydrase II in complex with the 4-((1-phenyl-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide inhibitor Deposited 2016-07-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
3–260（258 aa）
|
Not recorded | ZN ZINC ION × 1 A6N 4-[[4-[azanyl-bis(oxidanyl)-$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 ligand/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 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 ligand/ion Different 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 ligand/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 ligand/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 ligand/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 ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 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 construct 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 construct 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 construct 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 construct 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 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 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 construct 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 construct 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 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 ligand/ion Different experimental conditions Different structure-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 construct 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 construct 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 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 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 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 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 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 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 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 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 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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 ligand/ion Different experimental conditions Different structure-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 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 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 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 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 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 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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 construct Different 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 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 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 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 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 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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 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 oligomeric state Different ligand/ion 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 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 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 ligand/ion Different experimental conditions Different structure-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 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 |
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 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 ligand/ion Different experimental conditions Different structure-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 ligand/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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 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 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 |
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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 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 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 construct Different 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：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 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
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 construct Different 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：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 |
| 6NJ4 Thermostable variant of human carbonic anhydrase with disordered tetrazine 2.0 reacted with strained trans-cyclooctene at site 233 Deposited 2019-01-02 | 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
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 1.30 Å R-free 0.178 |
| 6NJ5 Thermostable variant of human carbonic anhydrase II with disordered tetrazine 2.0 at site 233 Deposited 2019-01-02 | 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
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 construct Different 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：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 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
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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 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 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 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 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 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 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 oligomeric state Different ligand/ion 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 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 construct 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$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide × 1 ZN ZINC ION × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.9；293 K；2.6 M ammonium sulfate, 50 mM Tris-H2SO4
|
Resolution 1.80 Å R-free 0.186 |
| 6QFV Human carbonic anhydrase II with bound IrCp* complex (cofactor 8) to generate an artificial transfer hydrogenase (ATHase) Deposited 2019-01-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
3–260（258 aa）
|
Not recorded | J0N 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$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 construct 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 construct 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 ligand/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 ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different 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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/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 ligand/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 ligand/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 ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/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 ligand/ion Different experimental conditions Different structure-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 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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 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 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 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 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 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 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 ligand/ion Different experimental conditions Different structure-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 construct 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 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 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 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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 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 |
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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 construct 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 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 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 ligand/ion Different experimental conditions Different structure-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 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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 construct 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 construct 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 construct 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 ligand/ion Different experimental conditions Different structure-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 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 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 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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 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 construct Different 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$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide × 1 EDO 1,2-ETHANEDIOL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1 M Tris pH 8.0, 0.2 M lithium chloride, 20% w/v polyethylene glycol 6,000
|
Resolution 1.77 Å R-free 0.223 |
| 7ONP Wild type carbonic anhydrase II with bound IrCp* complex to generate an artificial transfer hydrogenase (ATHase) Deposited 2021-05-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
3–260（258 aa）
|
Not recorded | VL2 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-nitro-7-oxidanylidene-spiro[1$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 construct Different 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$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide × 1 EDO 1,2-ETHANEDIOL × 18 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES sodium pH 7.5, 1.4 M Sodium citrate tribasic dihydrate
|
Resolution 1.65 Å R-free 0.170 |
| 7ONV Carbonic anhydrase II mutant (I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) Deposited 2021-05-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
3–260（258 aa）
|
Mutation：I91C Non-standard monomer：Yes (specific site not provided by mmCIF) | ZN ZINC ION × 1 VKZ 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$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 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 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 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 |
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 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 |
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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 mutation/modification Different ligand/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 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 construct 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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 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 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 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 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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 construct Different 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 |
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 construct Different 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 |
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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 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 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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 construct Different 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 |
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 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 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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 ligand/ion Different 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 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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 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 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 construct Different 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 construct Different 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 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 construct Different 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 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 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 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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 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 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 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 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 ligand/ion Different 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 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 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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different structure-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 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 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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 ligand/ion Different 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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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 |
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 mutation/modification Different ligand/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 ligand/ion Different 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 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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 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 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 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 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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 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 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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 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 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 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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：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 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 construct 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 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 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 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 ligand/ion Different experimental conditions Different structure-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 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 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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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 |
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 mutation/modification Different ligand/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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different 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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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 mutation/modification Different ligand/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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 ligand/ion Different experimental conditions Different structure-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 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 ligand/ion Different experimental conditions Different structure-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 mutation/modification Different ligand/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 1–260； UniProt 1–260 |
