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9jmm

Cryo-EM structure of the SE-PangolinCoV (MjHKU4r-CoV-1) RBD in complex with human DPP4

Method: ELECTRON MICROSCOPY Dmax: 137.2 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Dipeptidyl peptidase 4 soluble form

Homo sapiens

UniProt P27487

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Heteromer Protein × 3 其他Polymer 8 PDB declaration: trimeric（3） Consistent with protein copy count Chain A； UniProt 39–766 Chain C； UniProt 39–766 Not recorded Spike glycoprotein,Isoform 1 of Immunoglobulin heavy constant gamma 1 × 1 （A0AAE8ZFM2,P01857） ;alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ; × 1 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 7 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 ELECTRON MICROSCOPY cryo-EM buffer：pH 7.4 cryo-EM vitrification conditions：Cryogen ETHANE Resolution 2.80 Å

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 9JMM Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1J2E Crystal structure of Human Dipeptidyl peptidase IV Deposited 2002-12-30 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 33–766（734 aa） Fragment：residues 33-772
Chain B 33–766（734 aa） Fragment：residues 33-772
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；293 K；18% PEG4000, 0.18M Sodium acetate, 0.18M Gly-NaOH, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K
Resolution 2.60 Å R-free 0.302
1N1M Human Dipeptidyl Peptidase IV/CD26 in complex with an inhibitor Deposited 2002-10-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：Extracellular domain
Chain B 39–766（728 aa） Fragment：Extracellular domain
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 HG MERCURY (II) ION × 4 A3M 2-AMINO-3-METHYL-1-PYRROLIDIN-1-YL-BUTAN-1-ONE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；PEG4000, Sodium acetate, TRIS, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.263
1NU6 Crystal structure of human Dipeptidyl Peptidase IV (DPP-IV) Deposited 2003-01-31 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 HG MERCURY (II) ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；PEG, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.266
1NU8 Crystal structure of human dipeptidyl peptidase IV (DPP-IV) in complex with Diprotin A (IPI) Deposited 2003-01-31 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；Peg, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.282
1PFQ crystal structure of human apo dipeptidyl peptidase IV / CD26 Deposited 2003-05-27 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 36–766（731 aa）
Chain B 36–766（731 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.90 Å R-free 0.298
1R9M Crystal Structure of Human Dipeptidyl Peptidase IV at 2.1 Ang. Resolution. Deposited 2003-10-30 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 10 FUC alpha-L-fucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；Tris-HCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.10 Å R-free 0.249
1R9M Crystal Structure of Human Dipeptidyl Peptidase IV at 2.1 Ang. Resolution. Deposited 2003-10-30 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 39–766（728 aa）
Chain D 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；Tris-HCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.10 Å R-free 0.249
1R9M Crystal Structure of Human Dipeptidyl Peptidase IV at 2.1 Ang. Resolution. Deposited 2003-10-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Chain C 39–766（728 aa）
Chain D 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 21 FUC alpha-L-fucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；Tris-HCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.10 Å R-free 0.249
1R9M Crystal Structure of Human Dipeptidyl Peptidase IV at 2.1 Ang. Resolution. Deposited 2003-10-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Chain C 39–766（728 aa）
Chain D 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 21 FUC alpha-L-fucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；Tris-HCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.10 Å R-free 0.249
1R9N Crystal Structure of human dipeptidyl peptidase IV in complex with a decapeptide (tNPY) at 2.3 Ang. Resolution Deposited 2003-10-30 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.25；298 K；PEG 2000, Bicine, pH 8.25, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.30 Å R-free 0.251
1R9N Crystal Structure of human dipeptidyl peptidase IV in complex with a decapeptide (tNPY) at 2.3 Ang. Resolution Deposited 2003-10-30 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 39–766（728 aa）
Chain D 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.25；298 K；PEG 2000, Bicine, pH 8.25, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.30 Å R-free 0.251
1R9N Crystal Structure of human dipeptidyl peptidase IV in complex with a decapeptide (tNPY) at 2.3 Ang. Resolution Deposited 2003-10-30 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 39–766（728 aa）
Chain D 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.25；298 K；PEG 2000, Bicine, pH 8.25, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.30 Å R-free 0.251
1RWQ Human Dipeptidyl peptidase IV in complex with 5-aminomethyl-6-(2,4-dichloro-phenyl)-2-(3,5-dimethoxy-phenyl)-pyrimidin-4-ylamine Deposited 2003-12-17 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 5AP 5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)-2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN-4-AMINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；22% PEG 3350, 200mM MgCl2, Tris, 15% glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.290
1TK3 Crystal Structure Of Human Apo Dipeptidyl Peptidase IV/CD26 Deposited 2004-06-08 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：Extracellular domain
Chain B 39–766（728 aa） Fragment：Extracellular domain
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；PEG 4000, SODIUM ACETATE, TRIS, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.272
1TKR Human Dipeptidyl Peptidase IV/CD26 inhibited with Diisopropyl FluoroPhosphate Deposited 2004-06-09 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：Extracellular domain
Chain B 39–766（728 aa） Fragment：Extracellular domain
Not recorded DFP DIISOPROPYL PHOSPHONATE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；PEG 4000, Sodium acetate, Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.70 Å R-free 0.268
1U8E HUMAN DIPEPTIDYL PEPTIDASE IV/CD26 MUTANT Y547F Deposited 2004-08-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：EXTRACELLULAR DOMAIN
Chain B 39–766（728 aa） Fragment：EXTRACELLULAR DOMAIN
Mutation：Y547F Mutation：Y547F NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；PEG 4000, SODIUM ACETATE, TRIS, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.268
1W1I Crystal structure of dipeptidyl peptidase IV (DPPIV or CD26) in complex with adenosine deaminase Deposited 2004-06-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 39–766（728 aa） Fragment：EXTRACELLULAR DOMAIN 39 - 766
Chain B 39–766（728 aa） Fragment：EXTRACELLULAR DOMAIN 39 - 766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；pH 8.00
Resolution 3.03 Å R-free 0.257
1W1I Crystal structure of dipeptidyl peptidase IV (DPPIV or CD26) in complex with adenosine deaminase Deposited 2004-06-22 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 39–766（728 aa） Fragment：EXTRACELLULAR DOMAIN 39 - 766
Chain D 39–766（728 aa） Fragment：EXTRACELLULAR DOMAIN 39 - 766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 7 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；pH 8.00
Resolution 3.03 Å R-free 0.257
1WCY Crystal Structure Of Human Dipeptidyl Peptidase IV (DPPIV) Complex With Diprotin A Deposited 2004-05-07 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 33–766（734 aa） Fragment：residues 33-772
Chain B 33–766（734 aa） Fragment：residues 33-772
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；293 K；18% PEG4000, 0.18M Sodium acetate, 0.18M Gly-NaOH, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.20 Å R-free 0.265
1X70 HUMAN DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH A BETA AMINO ACID INHIBITOR Deposited 2004-08-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：extracellular domain
Chain B 39–766（728 aa） Fragment：extracellular domain
Mutation：S39T Mutation：S39T NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 NA SODIUM ION × 1 715 (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；PEG 4000, SODIUM ACETATE, TRIS, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.228
2AJL X-ray Structure of Novel Biaryl-Based Dipeptidyl peptidase IV inhibitor Deposited 2005-08-02 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain I 39–766（728 aa） Fragment：Dipeptidyl peptidase 4 soluble form, residues 39-766
Chain J 39–766（728 aa） Fragment：Dipeptidyl peptidase 4 soluble form, residues 39-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 14 JNH 1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；PEG 4000, Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.50 Å R-free 0.303
2BGN HIV-1 Tat protein derived N-terminal nonapeptide Trp2-Tat(1-9) bound to the active site of Dipeptidyl peptidase IV (CD26) Deposited 2005-01-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 39–766（728 aa） Fragment：EXTRACELLULAR DOMAIN, RESIDUES 39-766
Chain B 39–766（728 aa） Fragment：EXTRACELLULAR DOMAIN, RESIDUES 39-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 7 ZN ZINC ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.15 Å R-free 0.247
2BGN HIV-1 Tat protein derived N-terminal nonapeptide Trp2-Tat(1-9) bound to the active site of Dipeptidyl peptidase IV (CD26) Deposited 2005-01-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 6 PDB declaration: hexameric
Chain C 39–766（728 aa） Fragment：EXTRACELLULAR DOMAIN, RESIDUES 39-766
Chain D 39–766（728 aa） Fragment：EXTRACELLULAR DOMAIN, RESIDUES 39-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 7 ZN ZINC ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.15 Å R-free 0.247
2BGR Crystal structure of HIV-1 Tat derived nonapeptides Tat(1-9) bound to the active site of Dipeptidyl peptidase IV (CD26) Deposited 2005-01-04 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 29–766（738 aa） Fragment：EXTRACELLULAR DOMAIN, RESIDUES 29-766
Chain B 29–766（738 aa） Fragment：EXTRACELLULAR DOMAIN, RESIDUES 29-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.203
2BUB Crystal Structure Of Human Dipeptidyl Peptidase IV (CD26) in Complex with a Reversed Amide Inhibitor Deposited 2005-06-09 Different construct Different mutation/modification Different oligomeric state 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 39–766（728 aa） Fragment：EXTRACELLULAR DOMAIN, RESIDUES 39-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 FPB N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.66 Å R-free 0.329
2BUB Crystal Structure Of Human Dipeptidyl Peptidase IV (CD26) in Complex with a Reversed Amide Inhibitor Deposited 2005-06-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 39–766（728 aa） Fragment：EXTRACELLULAR DOMAIN, RESIDUES 39-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 FPB N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.66 Å R-free 0.329
2FJP Human dipeptidyl peptidase IV/CD26 in complex with an inhibitor Deposited 2006-01-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：EXTRACELLULAR DOMAIN
Chain B 39–766（728 aa） Fragment：EXTRACELLULAR DOMAIN
Mutation：Ser39Thr Mutation：Ser39Thr NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 S14 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；PEG4000, SODIUM ACETATE, TRIS, PH 8.0, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.40 Å R-free 0.240
2G5P Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ac Deposited 2006-02-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–764（726 aa） Fragment：Dipeptidyl peptidase 4 soluble form
Chain B 39–764（726 aa） Fragment：Dipeptidyl peptidase 4 soluble form
Not recorded ADF 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-3-TERT-BUTYLBENZOIC ACID × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.40 Å R-free 0.271
2G5T Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ag Deposited 2006-02-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–764（726 aa） Fragment：Dipeptidyl peptidase 4 soluble form
Chain B 39–764（726 aa） Fragment：Dipeptidyl peptidase 4 soluble form
Not recorded ACF 3-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-4-CHLOROBENZOIC ACID × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.243
2G63 Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 24b Deposited 2006-02-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–764（726 aa） Fragment：Dipeptidyl peptidase 4 soluble form
Chain B 39–764（726 aa） Fragment：Dipeptidyl peptidase 4 soluble form
Not recorded AAF METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.251
2G63 Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 24b Deposited 2006-02-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 39–764（726 aa） Fragment：Dipeptidyl peptidase 4 soluble form
Chain D 39–764（726 aa） Fragment：Dipeptidyl peptidase 4 soluble form
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.251
2I03 Crystal structure of human dipeptidyl peptidase 4 (DPP IV) with potent alkynyl cyanopyrrolidine (ABT-279) Deposited 2006-08-09 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–764（726 aa）
Chain B 39–764（726 aa）
Not recorded AXD 2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；VAPOR DIFFUSION
Resolution 2.40 Å R-free 0.245
2I03 Crystal structure of human dipeptidyl peptidase 4 (DPP IV) with potent alkynyl cyanopyrrolidine (ABT-279) Deposited 2006-08-09 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 39–764（726 aa）
Chain D 39–764（726 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；VAPOR DIFFUSION
Resolution 2.40 Å R-free 0.245
2I78 Crystal structure of human dipeptidyl peptidase IV (DPP IV) complexed with ABT-341, a cyclohexene-constrained phenethylamine inhibitor Deposited 2006-08-30 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–764（726 aa）
Chain B 39–764（726 aa）
Not recorded KIQ (1S,6R)-3-{[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]CARBONYL}-6-(2,4,5-TRIFLUOROPHENYL)CYCLOHEX-3-EN-1-AMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；VAPOR DIFFUSION
Resolution 2.50 Å R-free 0.275
2I78 Crystal structure of human dipeptidyl peptidase IV (DPP IV) complexed with ABT-341, a cyclohexene-constrained phenethylamine inhibitor Deposited 2006-08-30 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 39–764（726 aa）
Chain D 39–764（726 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；VAPOR DIFFUSION
Resolution 2.50 Å R-free 0.275
2IIT Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor Deposited 2006-09-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：EXTRACELLULAR DOMAIN (residues 39-766)
Chain B 39–766（728 aa） Fragment：EXTRACELLULAR DOMAIN (residues 39-766)
Mutation：Ser39Thr Mutation：Ser39Thr NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 NA SODIUM ION × 1 872 (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；PEG 4000, SODIUM ACETATE, TRIS, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.35 Å R-free 0.228
2IIV Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor Deposited 2006-09-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：EXTRACELLULAR DOMAIN (residues 39-766)
Chain B 39–766（728 aa） Fragment：EXTRACELLULAR DOMAIN (residues 39-766)
Mutation：Ser39Thr Mutation：Ser39Thr NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 565 (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；PEG 4000, SODIUM ACETATE, TRIS, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.15 Å R-free 0.229
2JID Human Dipeptidyl peptidase IV in complex with 1-(3,4-Dimethoxy-phenyl) -3-m-tolyl-piperidine-4-ylamine Deposited 2007-02-28 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 31–766（736 aa） Fragment：RESIDUES 31-766
Chain B 31–766（736 aa） Fragment：RESIDUES 31-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 GVB (3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.80 Å R-free 0.303
2OAG Crystal structure of human dipeptidyl peptidase IV (DPPIV) with pyrrolidine-constrained phenethylamine 29g Deposited 2006-12-15 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–764（726 aa）
Chain B 39–764（726 aa）
Not recorded DLI (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
Resolution 2.30 Å R-free 0.240
2OAG Crystal structure of human dipeptidyl peptidase IV (DPPIV) with pyrrolidine-constrained phenethylamine 29g Deposited 2006-12-15 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 39–764（726 aa）
Chain D 39–764（726 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
Resolution 2.30 Å R-free 0.240
2OGZ Crystal structure of DPP-IV complexed with Lilly aryl ketone inhibitor Deposited 2007-01-09 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：DPP-IV extracellular domain, residues 39-766
Chain B 39–766（728 aa） Fragment：DPP-IV extracellular domain, residues 39-766
Not recorded U1N 4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8；293 K；PEG4000, SODIUM ACETATE, pH 8, VAPOR DIFFUSION, temperature 293K
Resolution 2.10 Å R-free 0.268
2OLE Crystal Structure Of Human Dipeptidyl Peptidase IV (DPPIV) Complex With Cyclic Hydrazine Derivatives Deposited 2007-01-19 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded KR2 (2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；24% PEG 4000, 0.1M Tris, 0.3M Sodium acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.40 Å R-free 0.254
2ONC Crystal structure of human DPP-4 Deposited 2007-01-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 41–766（726 aa）
Chain B 41–766（726 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 SY1 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；20% PEG2000MME, 0.1M Bicine, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.55 Å R-free 0.254
2ONC Crystal structure of human DPP-4 Deposited 2007-01-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 41–766（726 aa）
Chain D 41–766（726 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 SY1 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；20% PEG2000MME, 0.1M Bicine, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.55 Å R-free 0.254
2ONC Crystal structure of human DPP-4 Deposited 2007-01-23 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 41–766（726 aa）
Chain D 41–766（726 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 SY1 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；20% PEG2000MME, 0.1M Bicine, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.55 Å R-free 0.254
2OPH Human dipeptidyl peptidase IV in complex with an alpha amino acid inhibitor Deposited 2007-01-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：EXTRACELLULAR DOMAIN
Chain B 39–766（728 aa） Fragment：EXTRACELLULAR DOMAIN
Mutation：T39S Mutation：T39S NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 NA SODIUM ION × 1 277 N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-1-METHYL-3-OXOPROPYL}CYCLOHEXYL)-N-METHYLACETAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；PEG 4000, SODIUM ACETATE, TRIS, PH 8.00, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K
Resolution 2.40 Å R-free 0.238
2OQI Human Dipeptidyl Peptidase IV (DPP4) with Piperidinone-constrained phenethylamine Deposited 2007-01-31 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded GGO (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.80 Å R-free 0.284
2OQI Human Dipeptidyl Peptidase IV (DPP4) with Piperidinone-constrained phenethylamine Deposited 2007-01-31 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 39–766（728 aa）
Chain D 39–766（728 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.80 Å R-free 0.284
2OQV Human Dipeptidyl Peptidase IV (DPP4) with piperidine-constrained phenethylamine Deposited 2007-02-01 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–764（726 aa）
Chain B 39–764（726 aa）
Not recorded MA9 (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.80 Å R-free 0.309
2P8S Human dipeptidyl peptidase IV/CD26 in complex with a cyclohexalamine inhibitor Deposited 2007-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 40–766（727 aa） Fragment：EXTRACELLULAR DOMAIN
Chain B 40–766（727 aa） Fragment：EXTRACELLULAR DOMAIN
Mutation：S39T Mutation：S39T NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 NA SODIUM ION × 1 417 (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；PEG 4000, SODIUM ACETATE, TRIS, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.227
2QJR dipepdyl peptidase IV in complex with inhibitor PZF Deposited 2007-07-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 31–766（736 aa） Fragment：UNP residues 31-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PZF (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE × 1 LGU alpha-L-gulopyranuronic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
Resolution 2.20 Å R-free 0.253
2QJR dipepdyl peptidase IV in complex with inhibitor PZF Deposited 2007-07-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain B 31–766（736 aa） Fragment：UNP residues 31-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PZF (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
Resolution 2.20 Å R-free 0.253
2QJR dipepdyl peptidase IV in complex with inhibitor PZF Deposited 2007-07-09 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 31–766（736 aa） Fragment：UNP residues 31-766
Chain B 31–766（736 aa） Fragment：UNP residues 31-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 PZF (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE × 2 LGU alpha-L-gulopyranuronic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
Resolution 2.20 Å R-free 0.253
2QKY complex structure of dipeptidyl peptidase IV and a oxadiazolyl ketone Deposited 2007-07-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 40–766（727 aa） Fragment：extracellular domain
Chain B 40–766（727 aa） Fragment：extracellular domain
Not recorded 13Z 2-[(2-{(2S,4S)-2-[(R)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-4-fluoropyrrolidin-1-yl}-2-oxoethyl)amino]-2-methylpropan-1-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；24% PEG MME 2K, 0.1M Bicine, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 3.10 Å R-free 0.293
2QKY complex structure of dipeptidyl peptidase IV and a oxadiazolyl ketone Deposited 2007-07-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 40–766（727 aa） Fragment：extracellular domain
Chain D 40–766（727 aa） Fragment：extracellular domain
Not recorded 13Z 2-[(2-{(2S,4S)-2-[(R)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-4-fluoropyrrolidin-1-yl}-2-oxoethyl)amino]-2-methylpropan-1-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；24% PEG MME 2K, 0.1M Bicine, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 3.10 Å R-free 0.293
2QOE Human Dipeptidyl Peptidase IV in complex with a Triazolopiperazine-based beta amino acid Inhibitor Deposited 2007-07-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: trimeric
Chain A 39–766（728 aa） Fragment：Catalytic Domain
Chain B 39–766（728 aa） Fragment：Catalytic Domain
Mutation：S39T Mutation：S39T NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 NA SODIUM ION × 1 448 (2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；PEG4000, SODIUM ACETATE, TRIS, PH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.30 Å R-free 0.212
2QT9 Human dipeptidyl peptidase iv/cd26 in complex with a 4-aryl cyclohexylalanine inhibitor Deposited 2007-08-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: undecameric
Chain A 1–766（766 aa）
Chain B 1–766（766 aa）
Mutation：T39S Mutation：T39S NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 NA SODIUM ION × 1 524 (2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOH EXYL)BUTANAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；PEG4000, Sodium Acetate, TRIS, pH 8.0, vapor diffusion, hanging drop, temperature 293K, pH 8.000000, VAPOR DIFFUSION, HANGING DROP
Resolution 2.10 Å R-free 0.229
2QTB Human dipeptidyl peptidase iv/cd26 in complex with a 4-aryl cyclohexylalanine inhibitor Deposited 2007-08-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: decameric
Chain A 1–766（766 aa）
Chain B 1–766（766 aa）
Mutation：T39S Mutation：T39S NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 NA SODIUM ION × 1 474 (2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；PEG4000, Sodium Acetate, TRIS, pH 8.000000, vapor diffusion, hanging drop, temperature 293K
Resolution 2.25 Å R-free 0.228
2RGU Crystal structure of complex of human DPP4 and inhibitor Deposited 2007-10-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：Extracellular domain
Chain B 39–766（728 aa） Fragment：Extracellular domain
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 356 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d ione × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；25% PEG 3350, 150mM MgCl2, Tris-HCl pH 8.1, 15% Glycerol, VAPOR DIFFUSION, HANGING DROP
Resolution 2.60 Å R-free 0.276
2RIP Structure of DPPIV in complex with an inhibitor Deposited 2007-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 38–766（729 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 34Q (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；20%PEG, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.90 Å R-free 0.293
3BJM Crystal structure of human DPP-IV in complex with (1S,3S, 5S)-2-[(2S)-2-AMINO-2-(3-HYDROXYTRICYCLO[3.3.1.13,7]DEC-1- YL)ACETYL]-2-AZABICYCLO[3.1.0]HEXANE-3-CARBONITRILE (CAS), (1S,3S,5S)-2-((2S)-2-AMINO-2-(3-HYDROXYADAMANTAN-1- YL)ACETYL)-2-AZABICYCLO[3.1.0]HEXANE-3-CARBONITRILE (IUPAC), OR BMS-477118 Deposited 2007-12-04 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 BJM (2~{S})-2-azanyl-1-[(1~{S},3~{S},5~{S})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{R},7~{S})-3-oxidanyl-1-ad amantyl]ethanone × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.35 Å R-free 0.253
3C43 Human dipeptidyl peptidase IV/CD26 in complex with a flouroolefin inhibitor Deposited 2008-01-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：Catalytic domain
Chain B 39–766（728 aa） Fragment：Catalytic domain
Mutation：S39T Mutation：S39T NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 315 (2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；PEG4000, SODIUM ACETATE, TRIS, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.30 Å R-free 0.234
3C45 Human dipeptidyl peptidase IV/CD26 in complex with a fluoroolefin inhibitor Deposited 2008-01-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：Catalytic domain
Chain B 39–766（728 aa） Fragment：Catalytic domain
Mutation：S39T Mutation：S39T NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 NA SODIUM ION × 1 317 (2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；PEG4000, SODIUM ACETATE, TRIS, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.05 Å R-free 0.218
3CCB Crystal Structure of Human DPP4 in complex with a benzimidazole derivative Deposited 2008-02-25 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 B2Y 1-biphenyl-2-ylmethanamine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；277 K；22.5% PEG 2000mme, 0.1M Bicine, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.49 Å R-free 0.244
3CCB Crystal Structure of Human DPP4 in complex with a benzimidazole derivative Deposited 2008-02-25 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 39–766（728 aa）
Chain D 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 B2Y 1-biphenyl-2-ylmethanamine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；277 K；22.5% PEG 2000mme, 0.1M Bicine, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.49 Å R-free 0.244
3CCC Crystal Structure of Human DPP4 in complex with a benzimidazole derivative Deposited 2008-02-25 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 7 7AC 7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；277 K；22.5% PEG 2000mme, 0.1M Bicine, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.71 Å R-free 0.267
3CCC Crystal Structure of Human DPP4 in complex with a benzimidazole derivative Deposited 2008-02-25 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 39–766（728 aa）
Chain D 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 7AC 7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；277 K；22.5% PEG 2000mme, 0.1M Bicine, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.71 Å R-free 0.267
3D4L Human dipeptidyl peptidase IV/CD26 in complex with a novel inhibitor Deposited 2008-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：Extracellular domain (residues 39-766)
Chain B 39–766（728 aa） Fragment：Extracellular domain (residues 39-766)
Mutation：T39S Mutation：T39S NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 NA SODIUM ION × 1 605 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；PEG4000, SODIUM ACETATE, TRIS, pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.00 Å R-free 0.217
3EIO Crystal Structure Analysis of DPPIV Inhibitor Deposited 2008-09-17 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded AJH 4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,4-diazepan-1-yl}carbonyl)benzoic acid × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；24% PEG 4000, 300mM Na Acetate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.272
3F8S Crystal structure of dipeptidyl peptidase IV in complex with inhibitor Deposited 2008-11-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 31–766（736 aa） Fragment：UNP residues 31-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PF2 2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.43 Å R-free 0.295
3F8S Crystal structure of dipeptidyl peptidase IV in complex with inhibitor Deposited 2008-11-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain B 31–766（736 aa） Fragment：UNP residues 31-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 PF2 2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.43 Å R-free 0.295
3F8S Crystal structure of dipeptidyl peptidase IV in complex with inhibitor Deposited 2008-11-13 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 31–766（736 aa） Fragment：UNP residues 31-766
Chain B 31–766（736 aa） Fragment：UNP residues 31-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 PF2 2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.43 Å R-free 0.295
3G0B Crystal structure of dipeptidyl peptidase IV in complex with TAK-322 Deposited 2009-01-27 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：UNP residues 39-766
Chain B 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 T22 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；22% PEG MME 2000, 0.06M NP_Bicine_Na, 0.04M Bicine, VAPOR DIFFUSION, temperature 298K
Resolution 2.25 Å R-free 0.242
3G0B Crystal structure of dipeptidyl peptidase IV in complex with TAK-322 Deposited 2009-01-27 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 39–766（728 aa） Fragment：UNP residues 39-766
Chain D 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 9 T22 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；22% PEG MME 2000, 0.06M NP_Bicine_Na, 0.04M Bicine, VAPOR DIFFUSION, temperature 298K
Resolution 2.25 Å R-free 0.242
3G0C Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 1 Deposited 2009-01-27 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：UNP residues 39-766
Chain B 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded RUF 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；22.5% PEG MME 200, 0.1M Bicine pH 7.8, VAPOR DIFFUSION, temperature 277K
Resolution 2.69 Å R-free 0.248
3G0C Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 1 Deposited 2009-01-27 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 39–766（728 aa） Fragment：UNP residues 39-766
Chain D 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded RUF 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；22.5% PEG MME 200, 0.1M Bicine pH 7.8, VAPOR DIFFUSION, temperature 277K
Resolution 2.69 Å R-free 0.248
3G0C Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 1 Deposited 2009-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded RUF 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；22.5% PEG MME 200, 0.1M Bicine pH 7.8, VAPOR DIFFUSION, temperature 277K
Resolution 2.69 Å R-free 0.248
3G0C Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 1 Deposited 2009-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain B 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded RUF 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；22.5% PEG MME 200, 0.1M Bicine pH 7.8, VAPOR DIFFUSION, temperature 277K
Resolution 2.69 Å R-free 0.248
3G0C Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 1 Deposited 2009-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain C 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded RUF 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；22.5% PEG MME 200, 0.1M Bicine pH 7.8, VAPOR DIFFUSION, temperature 277K
Resolution 2.69 Å R-free 0.248
3G0C Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 1 Deposited 2009-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain D 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded RUF 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；22.5% PEG MME 200, 0.1M Bicine pH 7.8, VAPOR DIFFUSION, temperature 277K
Resolution 2.69 Å R-free 0.248
3G0D Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 2 Deposited 2009-01-27 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：UNP residues 39-766
Chain B 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded XIH 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；22.5% PEG MME 200, 0.1M Bicine pH 7.8, VAPOR DIFFUSION, temperature 277K
Resolution 2.39 Å R-free 0.239
3G0D Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 2 Deposited 2009-01-27 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 39–766（728 aa） Fragment：UNP residues 39-766
Chain D 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded XIH 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；22.5% PEG MME 200, 0.1M Bicine pH 7.8, VAPOR DIFFUSION, temperature 277K
Resolution 2.39 Å R-free 0.239
3G0D Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 2 Deposited 2009-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded XIH 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；22.5% PEG MME 200, 0.1M Bicine pH 7.8, VAPOR DIFFUSION, temperature 277K
Resolution 2.39 Å R-free 0.239
3G0D Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 2 Deposited 2009-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain B 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded XIH 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；22.5% PEG MME 200, 0.1M Bicine pH 7.8, VAPOR DIFFUSION, temperature 277K
Resolution 2.39 Å R-free 0.239
3G0D Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 2 Deposited 2009-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain C 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded XIH 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；22.5% PEG MME 200, 0.1M Bicine pH 7.8, VAPOR DIFFUSION, temperature 277K
Resolution 2.39 Å R-free 0.239
3G0D Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 2 Deposited 2009-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain D 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded XIH 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；22.5% PEG MME 200, 0.1M Bicine pH 7.8, VAPOR DIFFUSION, temperature 277K
Resolution 2.39 Å R-free 0.239
3G0G Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinone inhibitor 3 Deposited 2009-01-27 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：UNP residues 39-766
Chain B 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded RUM 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；22.5% PEG MME 200, 0.1M Bicine pH 7.8, VAPOR DIFFUSION, temperature 277K
Resolution 2.45 Å R-free 0.265
3G0G Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinone inhibitor 3 Deposited 2009-01-27 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 39–766（728 aa） Fragment：UNP residues 39-766
Chain D 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded RUM 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；22.5% PEG MME 200, 0.1M Bicine pH 7.8, VAPOR DIFFUSION, temperature 277K
Resolution 2.45 Å R-free 0.265
3G0G Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinone inhibitor 3 Deposited 2009-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded RUM 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；22.5% PEG MME 200, 0.1M Bicine pH 7.8, VAPOR DIFFUSION, temperature 277K
Resolution 2.45 Å R-free 0.265
3G0G Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinone inhibitor 3 Deposited 2009-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain B 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded RUM 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；22.5% PEG MME 200, 0.1M Bicine pH 7.8, VAPOR DIFFUSION, temperature 277K
Resolution 2.45 Å R-free 0.265
3G0G Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinone inhibitor 3 Deposited 2009-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain C 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded RUM 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；22.5% PEG MME 200, 0.1M Bicine pH 7.8, VAPOR DIFFUSION, temperature 277K
Resolution 2.45 Å R-free 0.265
3G0G Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinone inhibitor 3 Deposited 2009-01-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain D 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded RUM 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.8；277 K；22.5% PEG MME 200, 0.1M Bicine pH 7.8, VAPOR DIFFUSION, temperature 277K
Resolution 2.45 Å R-free 0.265
3H0C Crystal Structure of Human Dipeptidyl Peptidase IV (CD26) in Complex with a Reversed Amide Inhibitor Deposited 2009-04-09 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 PS4 N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.66 Å R-free 0.271
3HAB The structure of DPP4 in complex with piperidine fused benzimidazole 25 Deposited 2009-05-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：Catalytic domain
Chain B 39–766（728 aa） Fragment：Catalytic domain
Mutation：S39T Mutation：S39T NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 NA SODIUM ION × 1 677 (2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；PEG 4000, SODIUM ACETATE, TRIS, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.211
3HAC The structure of DPP-4 in complex with piperidine fused imidazopyridine 34 Deposited 2009-05-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：Catalytic domain
Chain B 39–766（728 aa） Fragment：Catalytic domain
Mutation：S39T Mutation：S39T NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 NA SODIUM ION × 1 361 (7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；PEG 4000, SODIUM ACETATE, TRIS, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.205
3KWF human DPP-IV with carmegliptin (S)-1-((2S,3S,11bS)-2-Amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl)-4-fluoromethyl-pyrrolidin-2-one Deposited 2009-12-01 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 B1Q (4S)-1-[(2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl]-4-(fluoromethyl)pyrrolidin-2-one × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.40 Å R-free 0.246
3KWJ Structure of human DPP-IV with (2S,3S,11bS)-3-(3-Fluoromethyl-phenyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ylamine Deposited 2009-12-01 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 23Q (2S,3S,11bS)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.80 Å R-free 0.276
3O95 Crystal Structure of Human DPP4 Bound to TAK-100 Deposited 2010-08-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Chain C 39–766（728 aa）
Chain D 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 12 01T [5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；20% PEG MME 2000, 100 mM Bicine, pH 8-8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.85 Å R-free 0.248
3O95 Crystal Structure of Human DPP4 Bound to TAK-100 Deposited 2010-08-03 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 01T [5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；20% PEG MME 2000, 100 mM Bicine, pH 8-8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.85 Å R-free 0.248
3O95 Crystal Structure of Human DPP4 Bound to TAK-100 Deposited 2010-08-03 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 39–766（728 aa）
Chain D 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 7 01T [5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；20% PEG MME 2000, 100 mM Bicine, pH 8-8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.85 Å R-free 0.248
3O9V Crystal Structure of Human DPP4 Bound to TAK-986 Deposited 2010-08-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Chain C 39–766（728 aa）
Chain D 39–766（728 aa）
Not recorded 10T 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acid × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 10 X-RAY DIFFRACTION
X-ray crystallization conditions sitting drop, vapor diffusion；277 K；20% PEG MME 2000, 100 mM Bicine, pH 8-8.5, sitting drop, vapor diffusion, temperature 277K
Resolution 2.75 Å R-free 0.260
3O9V Crystal Structure of Human DPP4 Bound to TAK-986 Deposited 2010-08-04 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded 10T 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acid × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 X-RAY DIFFRACTION
X-ray crystallization conditions sitting drop, vapor diffusion；277 K；20% PEG MME 2000, 100 mM Bicine, pH 8-8.5, sitting drop, vapor diffusion, temperature 277K
Resolution 2.75 Å R-free 0.260
3O9V Crystal Structure of Human DPP4 Bound to TAK-986 Deposited 2010-08-04 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 39–766（728 aa）
Chain D 39–766（728 aa）
Not recorded 10T 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acid × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions sitting drop, vapor diffusion；277 K；20% PEG MME 2000, 100 mM Bicine, pH 8-8.5, sitting drop, vapor diffusion, temperature 277K
Resolution 2.75 Å R-free 0.260
3OC0 Structure of human DPP-IV with HTS hit (2S,3S,11bS)-3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ylamine Deposited 2010-08-09 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 B2Q (2S,3R,11bR)-3-butyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.70 Å R-free 0.286
3OPM Crystal Structure of Human DPP4 Bound to TAK-294 Deposited 2010-09-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 39–766（728 aa） Fragment：DPP4
Chain B 39–766（728 aa） Fragment：DPP4
Chain C 39–766（728 aa） Fragment：DPP4
Chain D 39–766（728 aa） Fragment：DPP4
Mutation：N-terminal His tag Mutation：N-terminal His tag Mutation：N-terminal His tag Mutation：N-terminal His tag LUI 2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 15 X-RAY DIFFRACTION
X-ray crystallization conditions 277 K；23.6% PEG MME 2000, 100 mM Bicine, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.72 Å R-free 0.254
3OPM Crystal Structure of Human DPP4 Bound to TAK-294 Deposited 2010-09-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：DPP4
Chain B 39–766（728 aa） Fragment：DPP4
Mutation：N-terminal His tag Mutation：N-terminal His tag LUI 2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 11 X-RAY DIFFRACTION
X-ray crystallization conditions 277 K；23.6% PEG MME 2000, 100 mM Bicine, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.72 Å R-free 0.254
3OPM Crystal Structure of Human DPP4 Bound to TAK-294 Deposited 2010-09-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 39–766（728 aa） Fragment：DPP4
Chain D 39–766（728 aa） Fragment：DPP4
Mutation：N-terminal His tag Mutation：N-terminal His tag LUI 2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions 277 K；23.6% PEG MME 2000, 100 mM Bicine, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.72 Å R-free 0.254
3Q0T Crystal structure of human dpp-iv in complex withsa-(+)- methyl2-(3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl- 7-oxo-5h-pyrrolo[3,4-b]pyridin-6(7h)-yl)acetate Deposited 2010-12-16 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 10 LGE methyl [3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]acetate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；CRYSTALS GROWN IN 2 UL EQUIVOLUME MIXTURE OF PROTEIN SOLUTION (0.1 M NACL, 20 MM TRIS-HCL BUFFER PH 7.8, 9.8 MG/ML PROTEIN) AND CRYSTALLIZATION SOLUTION (17% W/V PEG 3350, 15% W/V GLYCEROL, 200 MM MGCL2, 100 MM TRIS-HCL BUFFER PH 8.5). SUFFICIENT. 100 MM LIGAND STOCK SOLUTION (NEAT DMSO) ADDED TO ACHIEVE 1 MM LIGAND CONCENTRATION. SOAKED OVERNIGHT. HARVESTED DIRECTLY AND CRYO-STORED IN LN2. 2. temperature 298K, VAPOR DIFFUSION, HANGING DROP
Resolution 2.40 Å R-free 0.260
3Q8W A b-aminoacyl containing thiazolidine derivative and DPPIV complex Deposited 2011-01-07 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–764（726 aa） Fragment：EXTRACELLULAR DOMAIN (UNP RESIDUES 39-764)
Chain B 39–764（726 aa） Fragment：EXTRACELLULAR DOMAIN (UNP RESIDUES 39-764)
Not recorded AZV N-(4-{[({(2R)-3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidin-2-yl}carbonyl)amino]methyl}phenyl)-D-valine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；0.1 M Tris pH 8.0, 22 % (w/v) PEG 4000, 0.3M NaAcetate , VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 3.64 Å R-free 0.324
3QBJ Crystal structure of dipeptidyl peptidase IV in complex with inhibitor Deposited 2011-01-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 31–766（736 aa）
Chain B 31–766（736 aa）
Mutation：N150A, N520A Mutation：N150A, N520A NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 NXZ 1-[(3S,4S)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.21 Å R-free 0.235
3SWW Crystal structure of human dpp-iv in complex with sa-(+)-3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)- 2-methyl-5h-pyrrolo[3,4-b]pyridin-7(6h)-one Deposited 2011-07-14 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：unp residues 39-766
Chain B 39–766（728 aa） Fragment：unp residues 39-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 10 KXB 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；CRYSTALS GROWN IN 2 UL EQUIVOLUME MIXTURE OF PROTEIN SOLUTION (0.1 M NACL, 20 MM TRIS-HCL BUFFER PH 7.8, 9.8 MG/ML PROTEIN) AND CRYSTALLIZATION SOLUTION (17% W/V PEG 3350, 15% W/V GLYCEROL, 200 MM MGCL2, 100 MM TRIS-HCL). SUFFICIENT 100 MM LIGAND STOCK SOLUTION (NEAT DMSO) ADDED TO ACHIEVE 1 MM LIGAND CONCENTRATION. SOAKED OVERNIGHT. HARVESTED DIRECTLY AND CRYO-STORED IN LN2 VAPOR DIFFUSION / HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.234
3SX4 Crystal structure of human dpp-iv in complex with sa-(+)-3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)- 2-methyl-5h-pyrrolo[3,4-b]pyridin-7(6h)-one Deposited 2011-07-14 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：unp residues 39-766
Chain B 39–766（728 aa） Fragment：unp residues 39-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 11 KXA 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；CRYSTALS GROWN IN 2 UL EQUIVOLUME MIXTURE OF PROTEIN SOLUTION (0.1 M NACL, 20 MM TRIS-HCL BUFFER PH 7.8, 9.8 MG/ML PROTEIN) AND CRYSTALLIZATION SOLUTION (17% W/V PEG 3350, 15% W/V GLYCEROL, 200 MM MGCL2, 100 MM TRIS-HCL BUFFER PH 8.5). SUFFICIENT 100 MM LIGAND STOCK SOLUTION (NEAT DMSO) ADDED TO ACHIEVE 1 MM LIGAND CONCENTRATION. SOAKED OVERNIGHT. HARVESTED DIRECTLY AND CRYO-STORED IN LN2. 2. For crystal 2: <crystal_number =, VAPOR DIFFUSION / HANGING DROP, temperature 298K
Resolution 2.60 Å R-free 0.275
3VJK Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with MP-513 Deposited 2011-10-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 33–766（734 aa） Fragment：UNP residues 33-766
Chain B 33–766（734 aa） Fragment：UNP residues 33-766
Not recorded M51 {(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.8；293 K；20% PEG 4000, 0.18M sodium acetate, 0.18M glycine-sodium hydroxide , pH 8.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.49 Å R-free 0.279
3VJL Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with a prolylthiazolidine inhibitor #2 Deposited 2011-10-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 33–766（734 aa） Fragment：UNP residues 33-766
Chain B 33–766（734 aa） Fragment：UNP residues 33-766
Not recorded W94 [(2S,4S)-4-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl}pyrrolidin-2-yl](1,3-thiazolidin-3-yl)methanone × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.8；293 K；20% PEG 4000, 0.18M sodium acetate, 0.18M glycine-sodium hydroxide, pH 8.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.39 Å R-free 0.230
3VJM Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with a prolylthiazolidine inhibitor #1 Deposited 2011-10-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 33–766（734 aa） Fragment：UNP residues 33-766
Chain B 33–766（734 aa） Fragment：UNP residues 33-766
Not recorded W61 1,3-thiazolidin-3-yl[(2S,4S)-4-{4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl}pyrrolidin-2-yl]methanone × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.8；293 K；20% PEG 4000, 0.18M sodium acetate, 0.18M glycine-sodium hydroxide, pH 8.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.10 Å R-free 0.224
3W2T Crystal structure of human depiptidyl peptidase IV (DPP-4) in complex with vildagliptin Deposited 2012-12-04 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 33–766（734 aa） Fragment：UNP residues 33-766
Chain B 33–766（734 aa） Fragment：UNP residues 33-766
Not recorded LF7 2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne × 2 GOL GLYCEROL × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.8；293 K；20% PEG 4000, 0.18M sodium acetate, 0.18M glycine-sodium hydroxide, pH 8.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.36 Å R-free 0.231
3WQH Crystal Structure of human DPP-IV in complex with Anagliptin Deposited 2014-01-27 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：UNP RESIDUES 39-766
Chain B 39–766（728 aa） Fragment：UNP RESIDUES 39-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 13 SKK N-[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；293 K；18% PEG 4000, 15% PEG 1000, 0.15M Na/K-Phosphate, pH 6.5, VAPOR DIFFUSION, temperature 293K
Resolution 2.85 Å R-free 0.288
4A5S CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A NOVAL HETEROCYCLIC DPP4 INHIBITOR Deposited 2011-10-28 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded N7F 6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 12 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions 2 UL PROTEIN, 0.4 UL RESERVOIR, 0.25 UL WATER; PROTEIN SOLUTION: 5.2 MG/ML DPP4, 25 MM TRIS PH 8, 25 MM NACL, 2 MM NVP-BIV988-AA-1, 2% DMSO; RESERVOIR SOLUTION: 40% PEG 1000, 200 MM TRIS PH 9.0, 200 MM AMMONIUM SULFATE, 5% GLYCEROL
Resolution 1.62 Å R-free 0.179
4DSA Crystal Structure of DPP-IV with Compound C1 Deposited 2012-02-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：extracellular domain (residues 39-766)
Chain B 39–766（728 aa） Fragment：extracellular domain (residues 39-766)
Not recorded D1C 4-[({[(2R)-2-amino-3-(2,4,5-trifluorophenyl)propyl]sulfamoyl}amino)methyl]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1M MES, 30%(w/v) PEG 1500, 0.01M Betaine hydrochloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 3.25 Å R-free 0.266
4DSZ Crystal Structure of DPP-IV with Compound C2 Deposited 2012-02-20 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：extracellular domain (residues 39-766)
Chain B 39–766（728 aa） Fragment：extracellular domain (residues 39-766)
Not recorded DC3 (2R)-4-[4-(3-methylphenyl)-1H-1,2,3-triazol-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1M MES, 30%(w/v) PEG 1500, 0.01M Betaine hydrochloride, pH 5.5, vapor diffusion, hanging drop, temperature 291K
Resolution 3.20 Å R-free 0.260
4DTC Crystal Structure of DPP-IV with Compound C5 Deposited 2012-02-21 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：extracellular domain (residues 39-766)
Chain B 39–766（728 aa） Fragment：extracellular domain (residues 39-766)
Not recorded D5C N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-3'-(trifluoromethyl)biphenyl-4-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1M MES, 30%(w/v) PEG 1500, 0.01M Betaine hydrochloride, pH 5.5, vapor diffusion, hanging drop, temperature 291K
Resolution 3.00 Å R-free 0.268
4G1F Crystal Structure of human Dipeptidyl Peptidase IV in complex with a pyridopyrimidinedione analogue Deposited 2012-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded 0WG 7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；277 K；22.5% PEG 200mme, 0.1M Bicine pH 7.8 , VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.90 Å R-free 0.259
4G1F Crystal Structure of human Dipeptidyl Peptidase IV in complex with a pyridopyrimidinedione analogue Deposited 2012-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain B 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded 0WG 7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；277 K；22.5% PEG 200mme, 0.1M Bicine pH 7.8 , VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.90 Å R-free 0.259
4G1F Crystal Structure of human Dipeptidyl Peptidase IV in complex with a pyridopyrimidinedione analogue Deposited 2012-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain C 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded 0WG 7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；277 K；22.5% PEG 200mme, 0.1M Bicine pH 7.8 , VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.90 Å R-free 0.259
4G1F Crystal Structure of human Dipeptidyl Peptidase IV in complex with a pyridopyrimidinedione analogue Deposited 2012-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain D 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded 0WG 7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；277 K；22.5% PEG 200mme, 0.1M Bicine pH 7.8 , VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.90 Å R-free 0.259
4G1F Crystal Structure of human Dipeptidyl Peptidase IV in complex with a pyridopyrimidinedione analogue Deposited 2012-07-10 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：UNP residues 39-766
Chain B 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded 0WG 7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；277 K；22.5% PEG 200mme, 0.1M Bicine pH 7.8 , VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.90 Å R-free 0.259
4G1F Crystal Structure of human Dipeptidyl Peptidase IV in complex with a pyridopyrimidinedione analogue Deposited 2012-07-10 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 39–766（728 aa） Fragment：UNP residues 39-766
Chain D 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded 0WG 7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；277 K；22.5% PEG 200mme, 0.1M Bicine pH 7.8 , VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.90 Å R-free 0.259
4G1F Crystal Structure of human Dipeptidyl Peptidase IV in complex with a pyridopyrimidinedione analogue Deposited 2012-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 7 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 39–766（728 aa） Fragment：UNP residues 39-766
Chain B 39–766（728 aa） Fragment：UNP residues 39-766
Chain C 39–766（728 aa） Fragment：UNP residues 39-766
Chain D 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded 0WG 7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；277 K；22.5% PEG 200mme, 0.1M Bicine pH 7.8 , VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.90 Å R-free 0.259
4J3J Crystal Structure of DPP-IV with Compound C3 Deposited 2013-02-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：UNP residues 39-766
Chain B 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded D3C N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；28%(w/v) PEG1500, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 3.20 Å R-free 0.270
4JH0 Crystal structure of dipeptidyl-peptidase 4 (CD26, adenosine deaminase complexing protein 2) (DPP-IV-WT) complex with bms-767778 AKA 2-(3-(aminomethyl)-4-(2,4- dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6h-pyrrolo[3,4- b]pyridin-6-yl)-n,n-dimethylacetamide Deposited 2013-03-04 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded 1MD 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；100 mM Bis-Tris-Propane, pH 7.8, 200 mM MGCL2, 15.9%(W/V) PEG 3350, 15%(V/V) Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.35 Å R-free 0.272
4KR0 Complex structure of MERS-CoV spike RBD bound to CD26 Deposited 2013-05-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；291 K；6% v/v 2-propanol, 0.1M sodium acetate pH4.5, 26% PEG 550, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.70 Å R-free 0.232
4L72 Crystal structure of MERS-CoV complexed with human DPP4 Deposited 2013-06-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；291 K；20% PEG1500, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 3.00 Å R-free 0.253
4L72 Crystal structure of MERS-CoV complexed with human DPP4 Deposited 2013-06-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；291 K；20% PEG1500, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 3.00 Å R-free 0.253
4LKO Crystal structure of human DPP-IV in complex with BMS-744891 Deposited 2013-07-08 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded 1WH 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100 mM Bis-Tris-Propane, pH 7.8?, 200 mM MGCL2, 15.9%(W/V) PEG 3350, 15%(V/V) Glycerol, vapor diffusion, hanging drop, temperature 293K
Resolution 2.43 Å R-free 0.263
4N8D DPP4 complexed with syn-7aa Deposited 2013-10-17 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：UNP residues 39-766
Chain B 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 12 SO4 SULFATE ION × 6 2KS 1-(cis-1-phenyl-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；2 UL PROTEIN + 0.4 UL RESERVOIR + 0.25 UL WATER. PROTEIN SOLUTION: 5.2 MG/ML DPP-IV, 25 MM TRIS PH 8.0, 25 MM NACL, 0.9 MM SYN-7AA, 9% DMSO. RESERVOIR SOLUTION: 30% PEG 1000, 200 MM TRIS PH 8.0, 200 MM AMMONIUMSULFATE, 5% GLYCEROL. CRYO: DROP + 2.5 UL RESERVOIR PLUS 0.5 UL 1,6- HEXANDIOL, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.65 Å R-free 0.170
4N8E DPP4 complexed with compound 12a Deposited 2013-10-17 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：UNP residues 39-766
Chain B 39–766（728 aa） Fragment：UNP residues 39-766
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 12 SO4 SULFATE ION × 6 2KV 1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；2 UL PROTEIN + 0.4 UL RESERVOIR + 0.25 UL WATER. PROTEIN SOLUTION: 5.2 MG/ML DPP-IV, 25 MM TRIS PH 8.0, 25 MM NACL, 0.9 MM COMPOUND12A, 9% DMSO. RESERVOIR SOLUTION: 30% PEG 1000, 200 MM TRIS PH 8.0, 200 MM AMMONIUMSULFATE, 5% GLYCEROL. CRYO: DROP + 2.5 UL RESERVOIR PLUS 0.5 UL 1,6-HEXANDIOL, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.30 Å R-free 0.218
4PNZ Human dipeptidyl peptidase IV/CD26 in complex with the long-acting inhibitor Omarigliptin (MK-3102) Deposited 2014-02-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa） Fragment：extracellular domain (UNP residues 39-766)
Chain B 39–766（728 aa） Fragment：extracellular domain (UNP residues 39-766)
Mutation：S39T Mutation：S39T NA SODIUM ION × 1 2VH (2R,3S,5R)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2H-pyran-3-amine × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；20-25% PEG4000, 200 mM sodium acetate, 100 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.90 Å R-free 0.197
4PV7 Cocrystal structure of dipeptidyl-peptidase 4 with an indole scaffold inhibitor Deposited 2014-03-15 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded CJP 1-[2-(2,4-dichlorophenyl)-1-(methylsulfonyl)-1H-indol-3-yl]methanamine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；289 K；20% PEG MME 2000, 0.1M Bicine, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289.0K
Resolution 3.24 Å R-free 0.264
4QZV Bat-derived coronavirus HKU4 uses MERS-CoV receptor human CD26 for cell entry Deposited 2014-07-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.1M sodium citrate, pH 5.5, 15% PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.59 Å R-free 0.224
4QZV Bat-derived coronavirus HKU4 uses MERS-CoV receptor human CD26 for cell entry Deposited 2014-07-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.1M sodium citrate, pH 5.5, 15% PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.59 Å R-free 0.224
5I7U Human DPP4 in complex with a novel tricyclic hetero-cycle inhibitor Deposited 2016-02-18 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Mutation：S39T Mutation：S39T NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 6AJ 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；0.27-0.30 M sodium acetate 17-18% polyethylene glycol 3350 0.1 M tris hydrochloride pH 8.0
Resolution 1.95 Å R-free 0.187
5ISM Human DPP4 in complex with a novel 5,5,6-tricyclic pyrrolidine inhibitor Deposited 2016-03-15 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Mutation：S39T Mutation：S39T NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 NA SODIUM ION × 1 6DG (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(7H-pyrrolo[3',4':3,4]pyrazolo[1,5-a]pyrimidin-8(9H)-yl)oxan-3-amine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；20-25% PEG4000, 200 mM sodium acetate, 100 mM Tris, pH 8.0
Resolution 2.00 Å R-free 0.201
5J3J Crystal Structure of human DPP-IV in complex with HL1 Deposited 2016-03-31 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 40–766（727 aa）
Chain B 40–766（727 aa）
Not recorded HL1 (2~{S},3~{R})-8,9-dimethoxy-3-[2,4,5-tris(fluoranyl)phenyl]-2,3-dihydro-1~{H}-benzo[f]chromen-2-amine × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8；289 K；100mM Tris pH 8, 18% PEG 3350, 200mM NaCl
Resolution 2.75 Å R-free 0.298
5KBY Crystal structure of dipeptidyl peptidase IV in complex with SYR-472 Deposited 2016-06-03 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 6RL 2-[[6-[(3~{R})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarboni trile × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；22.2% PEG MME 2000, 0.1M Bicine pH 8.5
Resolution 2.24 Å R-free 0.215
5KBY Crystal structure of dipeptidyl peptidase IV in complex with SYR-472 Deposited 2016-06-03 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 39–766（728 aa）
Chain D 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 7 6RL 2-[[6-[(3~{R})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarboni trile × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；22.2% PEG MME 2000, 0.1M Bicine pH 8.5
Resolution 2.24 Å R-free 0.215
5KBY Crystal structure of dipeptidyl peptidase IV in complex with SYR-472 Deposited 2016-06-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Chain C 39–766（728 aa）
Chain D 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 15 6RL 2-[[6-[(3~{R})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarboni trile × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；22.2% PEG MME 2000, 0.1M Bicine pH 8.5
Resolution 2.24 Å R-free 0.215
5T4B Human DPP4 in complex with a ligand 34a Deposited 2016-08-29 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 40–766（727 aa）
Chain B 40–766（727 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 75N 2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-5-[(4-methylquinazolin-2-yl)methyl]-3H-imidazo[2,1-b]purin-4(5H)-one × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；0.27-0.30 M sodium acetate 17-18% polyethylene glycol 3350 0.1 M tris hydrochloride pH 8.0
Resolution 1.76 Å R-free 0.186
5T4E Human DPP4 in complex with ligand 19a Deposited 2016-08-29 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 40–766（727 aa）
Chain B 40–766（727 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 75L 2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-6-[(4-methylquinazolin-2-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-b]purin-4(3H)-one × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；0.27-0.30 M sodium acetate 17-18% polyethylene glycol 3350 0.1 M tris hydrochloride pH 8.0
Resolution 1.77 Å R-free 0.182
5T4F Human DPP4 in complex with ligand 34p Deposited 2016-08-29 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 40–766（727 aa）
Chain B 40–766（727 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 75M 4-({2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5H-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；0.27-0.30 M sodium acetate 17-18% polyethylene glycol 3350 0.1 M tris hydrochloride pH 8.0
Resolution 1.90 Å R-free 0.187
5T4H Human DPP4 in complex with ligand 34n Deposited 2016-08-29 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 40–766（727 aa）
Chain B 40–766（727 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 75J 2-({2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5H-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；0.27-0.30 M sodium acetate 17-18% polyethylene glycol 3350 0.1 M tris hydrochloride pH 8.0
Resolution 2.61 Å R-free 0.226
5Y7H Crystal structure of human DPP4 in complex with inhibitor3 Deposited 2017-08-17 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded 8O3 (R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)piperazin-2-one × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；20~28% (w/v) polyethylene glycol 4000, 0.1M HEPES or Tris pH 7.5~8.5
Resolution 3.00 Å R-free 0.245
5Y7J Crystal structure of human DPP4 in complex with inhibitor2 Deposited 2017-08-17 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded 8OL (S)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazin-2-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；20~28% (w/v) polyethylene glycol 4000, 0.1M HEPES or Tris pH 7.5~8.5
Resolution 2.52 Å R-free 0.241
5Y7J Crystal structure of human DPP4 in complex with inhibitor2 Deposited 2017-08-17 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 39–766（728 aa）
Chain D 39–766（728 aa）
Not recorded 8OL (S)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazin-2-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；20~28% (w/v) polyethylene glycol 4000, 0.1M HEPES or Tris pH 7.5~8.5
Resolution 2.52 Å R-free 0.241
5Y7K Crystal structure of human DPP4 in complex with inhibitor1 Deposited 2017-08-17 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded 8VU (R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazine-2-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；20~28% (w/v) polyethylene glycol 4000, 0.1M HEPES or Tris pH 7.5~8.5
Resolution 2.51 Å R-free 0.241
5Y7K Crystal structure of human DPP4 in complex with inhibitor1 Deposited 2017-08-17 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 39–766（728 aa）
Chain D 39–766（728 aa）
Not recorded 8VU (R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazine-2-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；20~28% (w/v) polyethylene glycol 4000, 0.1M HEPES or Tris pH 7.5~8.5
Resolution 2.51 Å R-free 0.241
5ZID Crystal Structure of human DPP-IV in complex with HL2 Deposited 2018-03-14 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 40–766（727 aa） Fragment：Dipeptidyl peptidase 4 soluble form
Chain B 40–766（727 aa） Fragment：Dipeptidyl peptidase 4 soluble form
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 9EL (2S,3R)-2-amino-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-naphtho[2,1-b]pyran-8-carbonitrile × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；100mM Tris pH 8, 18% PEG 3350, 200mM NaCl
Resolution 3.00 Å R-free 0.253
6B1E The structure of DPP4 in complex with Vildagliptin Deposited 2017-09-18 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Mutation：S39T Mutation：S39T LF7 2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；PEG 4000, SODIUM ACETATE, TRIS, pH 8.0
Resolution 1.77 Å R-free 0.186
6B1O The structure of DPP4 in complex with Vildagliptin Analog Deposited 2017-09-18 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Mutation：S39T Mutation：S39T NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 C8S (2S)-2-amino-1-[(1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(1r,3R,5S,7S)-3,5-dihydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；PEG 4000, SODIUM ACETATE, TRIS, pH 8.0
Resolution 1.91 Å R-free 0.202
8WKU Complex structure of MjHKU4r-CoV-1 spike RBD bound to human CD26 Deposited 2023-09-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；0.1 M Amino acids, 0.1 M buffer system 3 (Tris base; Bicine) and 30% v/v EDO_P8K
Resolution 3.50 Å R-free 0.237
8Z4T MERS-CoV S ectodomain trimer in complex with receptor DPP4-750E Deposited 2024-04-17 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain D 39–766（728 aa）
Chain I 39–766（728 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.93 Å
8ZDX Crystal structure of MjHKU4r-CoV-1 RBD bound to hDPP4 Deposited 2024-05-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 38–766（729 aa）
Chain C 38–766（729 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M HEPES (pH 7.0) and 10% (wt/vol) PEG 6000
Resolution 2.60 Å R-free 0.252
9CAR human kidney Dipeptidyl peptidase 4 Deposited 2024-06-17 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–766（766 aa）
Chain B 1–766（766 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.02 Å
9D56 Human kidney Dipeptidyl peptidase 4 with N-ter TM Deposited 2024-08-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–766（766 aa）
Chain B 1–766（766 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.55 Å
9GOH Crystal structure of DPP4 in complex with sulphostin. Deposited 2024-09-05 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 11 A1INF azanyl-oxidanylidene-(sulfoamino)phosphanium × 2 SO4 SULFATE ION × 5 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；BICINE: 0.10 M pH:9.00 ; LiSO4: 0.16M ; PEG 2K MME: 24 %w/v
Resolution 2.38 Å R-free 0.285
9JMJ Cryo-EM structure of the GD-BatCoV (BtCoV/Ii/GD/2014-422) RBD in complex with human DPP4 Deposited 2024-09-20 Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 39–766（728 aa）
Chain C 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
9K9N Cryo-EM structure of MjHKU4r-CoV-1 receptor-binding domain complexed with human CD26 Deposited 2024-10-27 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 39–766（728 aa）
Chain B 39–766（728 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 10 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.61 Å
9LBT DPPIV-VAMP Deposited 2025-01-03 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 41–765（725 aa）
Chain B 41–765（725 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；296 K；0.25 M Ammonium acetate, 0.1 M Tris pH 8.5, 21% w/v Polyethylene glycol 3350
Resolution 1.99 Å R-free 0.195
9V2L Complex structure of 2014-422 spike RBD bound to human DPP4 Deposited 2025-05-20 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 40–766（727 aa）
Chain C 40–766（727 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 7 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å
9V2P Complex structure of GX2012 spike RBD bound to human DPP4 Deposited 2025-05-20 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 40–766（727 aa）
Chain B 40–766（727 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.40 Å

113 other PDB entries and 169 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name DPP4_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 25–752； UniProt 39–766 Author chain C； PDBConstruct 25–752； UniProt 39–766

Spike glycoprotein,Isoform 1 of Immunoglobulin heavy constant gamma 1

Homo sapiens

UniProt A0AAE8ZFM2

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Heteromer Protein × 3 其他Polymer 8 PDB declaration: trimeric（3） Consistent with protein copy count Chain B； UniProt 375–614 Fragment：RBD Dipeptidyl peptidase 4 soluble form × 2 （P27487） ;alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ; × 1 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 7 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 ELECTRON MICROSCOPY cryo-EM buffer：pH 7.4 cryo-EM vitrification conditions：Cryogen ETHANE Resolution 2.80 Å

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 9JMM Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
8ZDX Crystal structure of MjHKU4r-CoV-1 RBD bound to hDPP4 Deposited 2024-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 389–596（208 aa）
Chain D 389–596（208 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M HEPES (pH 7.0) and 10% (wt/vol) PEG 6000
Resolution 2.60 Å R-free 0.252
8ZE6 Crystal structure of MjHKU4r-CoV-1 RBD bound to MjDPP4 Deposited 2024-05-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 388–590（203 aa）
Chain C 388–590（203 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M Ammonium tartrate dibasic (pH 7.0) and 12% (wt/vol) PEG 3350.
Resolution 2.70 Å R-free 0.274
9K9N Cryo-EM structure of MjHKU4r-CoV-1 receptor-binding domain complexed with human CD26 Deposited 2024-10-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 389–595（207 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 10 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.61 Å

3 other PDB entries and 3 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name A0AAE8ZFM2_9BETC
Isoform —
PDB entities 2
Chains and sequence ranges Author chain B； PDBConstruct 20–259； UniProt 375–614

Spike glycoprotein,Isoform 1 of Immunoglobulin heavy constant gamma 1

Homo sapiens

UniProt P01857

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Insufficient information Heteromer Protein × 3 其他Polymer 8 PDB declaration: trimeric（3） Consistent with protein copy count Chain B； UniProt 99–330 Fragment：RBD Dipeptidyl peptidase 4 soluble form × 2 （P27487） ;alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ; × 1 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 7 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 ELECTRON MICROSCOPY cryo-EM buffer：pH 7.4 cryo-EM vitrification conditions：Cryogen ETHANE Resolution 2.80 Å

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 9JMM Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1AJ7 IMMUNOGLOBULIN 48G7 GERMLINE FAB ANTIBODY COMPLEXED WITH HAPTEN 5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID. AFFINITY MATURATION OF AN ESTEROLYTIC ANTIBODY Deposited 1997-05-15 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 1–103（103 aa） Fragment：VARIABLE DOMAINS OF LIGHT AND HEAVY CHAINS AND CONSTANT DOMAINS OF LIGHT AND HEAVY CHAINS
Not recorded NPE 5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；10-15 MG/ML FAB IN 100MM NACL, 10MM TRIS PH 8.0, 1MM METHIONINE, 1MM SODIUM AZIDE, 0.5 MM EDTA.
Resolution 2.10 Å R-free 0.258
1AQK THREE-DIMENSIONAL STRUCTURE OF A HUMAN FAB WITH HIGH AFFINITY FOR TETANUS TOXOID Deposited 1997-07-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 21–250（230 aa） Fragment：FAB
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；pH 8.5
Resolution 1.84 Å
1AXS MATURE OXY-COPE CATALYTIC ANTIBODY WITH HAPTEN Deposited 1997-10-20 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 1–101（101 aa） Fragment：FAB FRAGMENT
Not recorded CD CADMIUM ION × 5 HOP (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.6；PROTEIN WAS CRYSTALLIZED FROM 25%PEG 1000, 0.1 M SODIUM ACETATE, PH 4.6, 0.3 M CDCL2 AND 0.1 M AMMONIUM SULFATE IN THE PRESENCE OF 2MM HAPTEN.
Resolution 2.60 Å R-free 0.305
1AXS MATURE OXY-COPE CATALYTIC ANTIBODY WITH HAPTEN Deposited 1997-10-20 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–101（101 aa） Fragment：FAB FRAGMENT
Not recorded CD CADMIUM ION × 3 HOP (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.6；PROTEIN WAS CRYSTALLIZED FROM 25%PEG 1000, 0.1 M SODIUM ACETATE, PH 4.6, 0.3 M CDCL2 AND 0.1 M AMMONIUM SULFATE IN THE PRESENCE OF 2MM HAPTEN.
Resolution 2.60 Å R-free 0.305
1DFB STRUCTURE OF A HUMAN MONOCLONAL ANTIBODY FAB FRAGMENT AGAINST GP41 OF HUMAN IMMUNODEFICIENCY VIRUS TYPE I Deposited 1992-03-27 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 1–103（103 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.70 Å
1E4K CRYSTAL STRUCTURE OF SOLUBLE HUMAN IGG1 FC FRAGMENT-FC-GAMMA RECEPTOR III COMPLEX Deposited 2000-07-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 106–330（225 aa） Fragment：FC FRAGMENT
Chain B 106–330（225 aa） Fragment：FC FRAGMENT
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.8；0.1M MES/TRIS PH 5.6, 0.2M K/NA TARTRATE, 6.0% PEG8000
Resolution 3.20 Å R-free 0.357
1FC1 CRYSTALLOGRAPHIC REFINEMENT AND ATOMIC MODELS OF A HUMAN FC FRAGMENT AND ITS COMPLEX WITH FRAGMENT B OF PROTEIN A FROM STAPHYLOCOCCUS AUREUS AT 2.9-AND 2.8-ANGSTROMS RESOLUTION Deposited 1981-05-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 106–329（224 aa）
Chain B 106–329（224 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.90 Å
1FCC CRYSTAL STRUCTURE OF THE C2 FRAGMENT OF STREPTOCOCCAL PROTEIN G IN COMPLEX WITH THE FC DOMAIN OF HUMAN IGG Deposited 1995-01-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 121–326（206 aa）
Chain B 121–326（206 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.20 Å R-free 0.357
1GAF 48G7 HYBRIDOMA LINE FAB COMPLEXED WITH HAPTEN 5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID Deposited 1996-02-06 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 1–103（103 aa） Fragment：VARIABLE DOMAINS OF LIGHT AND HEAVY CHAINS AND CONSTANT DOMAINS OF LIGHT AND HEAVY CHAINS
Not recorded NPE 5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.95 Å R-free 0.307
1HKL FREE AND LIGANDED FORM OF AN ESTEROLYTIC CATALYTIC ANTIBODY Deposited 1996-12-20 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 1–103（103 aa） Fragment：VARIABLE DOMAINS OF LIGHT AND HEAVY CHAINS AND CONSTANT DOMAINS OF LIGHT AND HEAVY CHAINS
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.68 Å R-free 0.244
1I7Z ANTIBODY GNC92H2 BOUND TO LIGAND Deposited 2001-03-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–103（103 aa）
Not recorded COC COCAINE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.265
1I7Z ANTIBODY GNC92H2 BOUND TO LIGAND Deposited 2001-03-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1–103（103 aa）
Not recorded COC COCAINE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.265
1N7M Germline 7G12 with N-methylmesoporphyrin Deposited 2002-11-15 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain L 1–102（102 aa）
Not recorded MMP N-METHYLMESOPORPHYRIN × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.2；277 K；22% PEG2000MME, 0.2M Ammonium Sulfate, 10mM Cd Sulfate, 1mM NMP, 0.1M sodium acetate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.253
1VGE TR1.9 FAB FRAGMENT OF A HUMAN IGG1 KAPPA AUTOANTIBODY Deposited 1996-01-04 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 1–103（103 aa） Fragment：FAB FRAGMENT OF A HUMAN IGG1 KAPPA AUTOANTIBODY
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å
2DTS Crystal Structure of the Defucosylated Fc Fragment from Human Immunoglobulin G1 Deposited 2006-07-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 108–330（223 aa） Fragment：Fc Fragment
Chain B 108–330（223 aa） Fragment：Fc Fragment
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 7；277 K；Deionized water, pH 7.0, MICRODIALYSIS, temperature 277K
Resolution 2.20 Å R-free 0.251
2GJ7 Crystal Structure of a gE-gI/Fc complex Deposited 2006-03-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 106–330（225 aa） Fragment：Fc fragment
Chain B 106–330（225 aa） Fragment：Fc fragment
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.9-1.1 M sodium malonate, 0.1 M Hepes or 0.1 M MES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 5.00 Å
2IWG COMPLEX BETWEEN THE PRYSPRY DOMAIN OF TRIM21 AND IGG FC Deposited 2006-06-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 120–326（207 aa） Fragment：RESIDUES 120-326
Chain D 120–326（207 aa） Fragment：RESIDUES 120-326
Not recorded FUC alpha-L-fucopyranose × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.35 Å R-free 0.253
2J6E Crystal Structure of an Autoimmune Complex between a Human IgM Rheumatoid Factor and IgG1 Fc reveals a Novel Fc Epitope and Evidence for Affinity Maturation Deposited 2006-09-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 99–330（232 aa） Fragment：FC DOMAIN, RESIDUES 99-330
Chain B 99–330（232 aa） Fragment：FC DOMAIN, RESIDUES 99-330
Not recorded CD CADMIUM ION × 1 ZN ZINC ION × 2 CAC CACODYLATE ION × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 6 ACT ACETATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；10% MPEG 5000, 3 MM ZINC ACETATE, 3 MM CDCL2, 100 MM SODIUM CACODYLATE PH 6.5
Resolution 3.00 Å R-free 0.288
2RCS IMMUNOGLOBULIN 48G7 GERMLINE FAB-AFFINITY MATURATION OF AN ESTEROLYTIC ANTIBODY Deposited 1997-05-14 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 1–103（103 aa） Fragment：VARIABLE DOMAINS OF LIGHT AND HEAVY CHAINS AND CONSTANT DOMAINS OF LIGHT AND HEAVY CHAINS
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；10-15 MG/ML FAB IN 0.1M AMMONIUM ACETATE, 0.1M SODIUM CACODYLATE PH 6.0, 18% PEG 4000, 1% DIOXANE
Resolution 2.10 Å R-free 0.259
2WAH Crystal Structure of an IgG1 Fc Glycoform (Man9GlcNAc2) Deposited 2009-02-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 120–328（209 aa） Fragment：IMMUNOGLOBULIN GAMMA, FC, RESIDUES 120-328
Chain B 120–328（209 aa） Fragment：IMMUNOGLOBULIN GAMMA, FC, RESIDUES 120-328
Mutation：YES Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；20% PEG 6000, 0.1 M MES PH 6.0
Resolution 2.51 Å R-free 0.268
3AGV Crystal structure of a human IgG-aptamer complex Deposited 2010-04-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein–RNA Homooligomer；Protein × 2 PDB declaration: tetrameric
Chain A 120–330（211 aa） Fragment：Fc fragment, residues 120-330
Chain B 120–330（211 aa） Fragment：Fc fragment, residues 120-330
Not recorded CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；The solution stirring technique with a rotary shaker produced the best diffracting crystals, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.15 Å R-free 0.277
3AVE Crystal Structure of the Fucosylated Fc Fragment from Human Immunoglobulin G1 Deposited 2011-03-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 108–330（223 aa） Fragment：Fc fragment
Chain B 108–330（223 aa） Fragment：Fc fragment
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 7；277 K；deionized water, 20% 2,3-butanediol, pH 7.0, MICRODIALYSIS, temperature 277K
Resolution 2.00 Å R-free 0.239
3AY4 Crystal structure of nonfucosylated Fc complexed with bis-glycosylated soluble form of Fc gamma receptor IIIa Deposited 2011-04-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 108–330（223 aa） Fragment：Fc fragment
Chain B 108–330（223 aa） Fragment：Fc fragment
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；12% PEG 20000, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.20 Å R-free 0.263
3D6G Fc fragment of IgG1 (Herceptin) with protein-A mimetic peptide dendrimer ligand. Deposited 2008-05-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 119–328（210 aa） Fragment：Fc fragment
Chain B 119–328（210 aa） Fragment：Fc fragment
Not recorded X12 2-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-amino-5-carbamimidamido-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]ethanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10-20% PEG 20K, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.30 Å R-free 0.257
3DJ9 Crystal Structure of an isolated, unglycosylated antibody CH2 domain Deposited 2008-06-22 Different construct Different oligomeric state 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 119–225（107 aa） Fragment：CH2 constant domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；292 K；30% PEG 1500, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.75 Å R-free 0.227
3DO3 Human 1gG1 Fc fragment, 2.5 Angstrom structure Deposited 2008-07-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 119–330（212 aa） Fragment：Fc domain including CH2 and CH3 regions: UNP Residues 119-330
Chain B 119–330（212 aa） Fragment：Fc domain including CH2 and CH3 regions: UNP Residues 119-330
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；298 K；20% PEG 3350, 0.2M NaCl pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.50 Å R-free 0.330
3FJT Crystal structure of a human Fc fragment engineered for extended serum half-life Deposited 2008-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 119–327（209 aa） Fragment：UNP residues 119-327
Chain B 119–327（209 aa） Fragment：UNP residues 119-327
Mutation：M252Y, S254T, T256E Mutation：M252Y, S254T, T256E No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；15% PEG 6000, 5% MPD, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.50 Å R-free 0.291
3O11 Anti-beta-amyloid antibody c706 fab in space group c2 Deposited 2010-07-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 1–103（103 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 3.5；293 K；0.1 M CITRATE PH 3.5, 18% PEG 8000 CRYO CONDITIONS, 0.1 M CITRATE PH 3.5, 25% PEG 8000, 20% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.80 Å R-free 0.304
3O11 Anti-beta-amyloid antibody c706 fab in space group c2 Deposited 2010-07-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–103（103 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 3.5；293 K；0.1 M CITRATE PH 3.5, 18% PEG 8000 CRYO CONDITIONS, 0.1 M CITRATE PH 3.5, 25% PEG 8000, 20% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.80 Å R-free 0.304
3RY6 Complex of fcgammariia (CD32) and the FC of human IGG1 Deposited 2011-05-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 114–327（214 aa） Fragment：UNP residues 114-327
Chain B 114–327（214 aa） Fragment：UNP residues 114-327
Not recorded GOL GLYCEROL × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.4；20% (W/V) PEG 3350, 5MM TRIS, 0.15M NACL, 2MM MOPS, 0.2M TRI-POTASSIUM ACETATE, PH 7.40, VAPOR DIFFUSION, TEMPERATURE 291.0K
Resolution 3.80 Å R-free 0.426
3S7G Aglycosylated human igg1 fc fragment Deposited 2011-05-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 104–330（227 aa） Fragment：CH2 and CH3 regions, UNP RESIDUES 104-330
Chain B 104–330（227 aa） Fragment：CH2 and CH3 regions, UNP RESIDUES 104-330
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；295 K；10% PEG 1000, 20% PEG 6000, 0.1M MAGNESIUM CHLORIDE, 0.2M TRIS, PH 7.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 295K
Resolution 3.13 Å R-free 0.323
3S7G Aglycosylated human igg1 fc fragment Deposited 2011-05-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 104–330（227 aa） Fragment：CH2 and CH3 regions, UNP RESIDUES 104-330
Chain D 104–330（227 aa） Fragment：CH2 and CH3 regions, UNP RESIDUES 104-330
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；295 K；10% PEG 1000, 20% PEG 6000, 0.1M MAGNESIUM CHLORIDE, 0.2M TRIS, PH 7.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 295K
Resolution 3.13 Å R-free 0.323
3SGJ Unique carbohydrate-carbohydrate interactions are required for high affinity binding between FcgIII and antibodies lacking core fucose Deposited 2011-06-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 106–330（225 aa） Fragment：unp residues 106-330
Chain B 106–330（225 aa） Fragment：unp residues 106-330
Not recorded MLI MALONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；1.4 Sodium Malonate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.20 Å R-free 0.252
3SGJ Unique carbohydrate-carbohydrate interactions are required for high affinity binding between FcgIII and antibodies lacking core fucose Deposited 2011-06-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 106–330（225 aa） Fragment：unp residues 106-330
Chain B 106–330（225 aa） Fragment：unp residues 106-330
Not recorded MLI MALONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；1.4 Sodium Malonate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.20 Å R-free 0.252
3SGK Unique carbohydrate/carbohydrate interactions are required for high affinity binding of FcgIII and antibodies lacking core fucose Deposited 2011-06-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 106–330（225 aa） Fragment：unp residues 106-330
Chain B 106–330（225 aa） Fragment：unp residues 106-330
Not recorded MLI MALONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；1.4 M Sodium malonate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.40 Å R-free 0.250
3SGK Unique carbohydrate/carbohydrate interactions are required for high affinity binding of FcgIII and antibodies lacking core fucose Deposited 2011-06-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 106–330（225 aa） Fragment：unp residues 106-330
Chain B 106–330（225 aa） Fragment：unp residues 106-330
Not recorded MLI MALONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；1.4 M Sodium malonate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.40 Å R-free 0.250
3TV3 Crystal structure of broad and potent HIV-1 neutralizing antibody PGT128 in complex with Man9 Deposited 2011-09-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 1–104（104 aa） Fragment：PGT128 heavy chain
Non-standard monomer：Yes (specific site not provided by mmCIF) GOL GLYCEROL × 4 AML AMYLAMINE × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；11% PEG 4000, 0.1M HEPES, 10% isopropanol, 6.5mM Man9, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.29 Å R-free 0.184
3TWC Crystal structure of broad and potent HIV-1 neutralizing antibody PGT127 in complex with Man9 Deposited 2011-09-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 1–104（104 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) AML AMYLAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；14% PEG 4000, 0.1M HEPES pH, 8.5% isopropanol, 15% glycerol, 6.5mM Man9, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 1.65 Å R-free 0.215
3TYG Crystal structure of broad and potent HIV-1 neutralizing antibody PGT128 in complex with a glycosylated engineered gp120 outer domain with miniV3 (eODmV3) Deposited 2011-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 1–104（104 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；24% PEG 3350, 0.29M CaCl2, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 3.25 Å R-free 0.257
3U0W AD related murine antibody Fragment Deposited 2011-09-29 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 1–103（103 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；100mM citric acid, 20%(v/v) 2-propanol, 20%(w/v) PEG 4000, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.235
3U7W Crystal structure of NIH45-46 Fab Deposited 2011-10-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 1–104（104 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) GOL GLYCEROL × 3 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；12% polyethylene glycol 20,000, 0.1 M sodium acetate pH 5.0, 0.1 M sodium/potassium tartrate, 0.02 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.60 Å R-free 0.238
3U7Y Structure of NIH45-46 Fab in complex with gp120 of 93TH057 HIV Deposited 2011-10-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 1–104（104 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) FLC CITRATE ANION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；12% isopropanol, 10% polyethylene glycol 10,000, 0.1 M sodium citrate pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.45 Å R-free 0.256
3V7M Crystal structure of monoclonal human anti-Rhesus D Fc IgG1 T125(YB2/0) in the presence of Zn2+ Deposited 2011-12-21 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 119–327（209 aa） Fragment：unp residues 119-327
Not recorded ZN ZINC ION × 6 IMD IMIDAZOLE × 6 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.1；316 K；8% MPEG 5000, 300 MICRO-M ZNCL2, 100 MICRO-M NICL2, 0.1 M SODIUM CACODYLATE, pH 5.1, VAPOR DIFFUSION, SITTING DROP, temperature 316KK
Resolution 2.02 Å R-free 0.286
3V8C Crystal structure of monoclonal human anti-rhesus D Fc IgG1 t125(yb2/0) double mutant (H310 and H435 in K) Deposited 2011-12-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 119–330（212 aa） Fragment：unp residues 119-330
Chain B 119–330（212 aa） Fragment：unp residues 119-330
Mutation：H310K, H345K Mutation：H310K, H345K NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 7 GOL GLYCEROL × 3 MAN alpha-D-mannopyranose × 5 GAL beta-D-galactopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.1；293 K；17% MPEG 5000; 21.5% ETHYLENE GLYCOL, 0.1M SODIUM CACODYLATE, pH 5.1, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.77 Å R-free 0.316
3V95 Crystal structure of monoclonal human anti-rhesus D Fc and IgG1 t125(yb2/0) in the presence of EDTA Deposited 2011-12-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 119–330（212 aa） Fragment：unp residues 119-330
Chain B 119–330（212 aa） Fragment：unp residues 119-330
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.1；293 K；12.8% MPEG 5000, 21.5% ETHYLENE GLYCOL, 0.002M EDTA, 0.1 M SODIUM CACODYLATE, pH 5.1, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.70 Å R-free 0.321
3WJJ Crystal structure of IIb selective Fc variant, Fc(P238D), in complex with FcgRIIb Deposited 2013-10-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 99–328（230 aa） Fragment：UNP RESIDUES 99-328
Chain B 99–328（230 aa） Fragment：UNP RESIDUES 99-328
Mutation：P238D Mutation：P238D No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；17% PEG 3350, 0.1M Bis-Tris, 0.2M ammonium acetate, 2.7% D-galactose, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 2.60 Å R-free 0.272
3WJL Crystal structure of IIb selective Fc variant, Fc(V12), in complex with FcgRIIb Deposited 2013-10-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 99–328（230 aa） Fragment：UNP RESIDUES 216-445
Chain B 99–328（230 aa） Fragment：UNP RESIDUES 216-445
Mutation：E233D, G237D, P238D, H268D, P271G, A330R Mutation：E233D, G237D, P238D, H268D, P271G, A330R NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；19% PEG 3350, 0.1M Bis-Tris, 0.2M potassium phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.86 Å R-free 0.270
3WKN Crystal structure of the artificial protein AFFinger p17 (AF.p17) complexed with Fc fragment of human IgG Deposited 2013-10-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 119–330（212 aa） Fragment：UNP residues 119-330
Chain C 119–330（212 aa） Fragment：UNP residues 119-330
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；40% PEG 4000, 0.1M sodium citrate, 0.2M ammonium acetate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.90 Å R-free 0.242
3WKN Crystal structure of the artificial protein AFFinger p17 (AF.p17) complexed with Fc fragment of human IgG Deposited 2013-10-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 119–330（212 aa） Fragment：UNP residues 119-330
Chain D 119–330（212 aa） Fragment：UNP residues 119-330
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；40% PEG 4000, 0.1M sodium citrate, 0.2M ammonium acetate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.90 Å R-free 0.242
3WKN Crystal structure of the artificial protein AFFinger p17 (AF.p17) complexed with Fc fragment of human IgG Deposited 2013-10-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain I 119–330（212 aa） Fragment：UNP residues 119-330
Chain J 119–330（212 aa） Fragment：UNP residues 119-330
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；40% PEG 4000, 0.1M sodium citrate, 0.2M ammonium acetate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.90 Å R-free 0.242
3WKN Crystal structure of the artificial protein AFFinger p17 (AF.p17) complexed with Fc fragment of human IgG Deposited 2013-10-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain M 119–330（212 aa） Fragment：UNP residues 119-330
Chain N 119–330（212 aa） Fragment：UNP residues 119-330
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；293 K；40% PEG 4000, 0.1M sodium citrate, 0.2M ammonium acetate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.90 Å R-free 0.242
3WN5 Crystal structure of asymmetrically engineered Fc variant in complex with FcgRIIIa Deposited 2013-12-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 99–328（230 aa） Fragment：UNP RESIDUES 99-328
Chain B 99–328（230 aa） Fragment：UNP RESIDUES 99-328
Mutation：C220S, D270E, K326D, A330K, K334E, D356C, T366S, L368A, Y407V Mutation：C220S, L234Y, L235Y, G236W, S239M, H268D, S298A, A327D, Y349C, T366W IOD IODIDE ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.25；293 K；14.5% PEG 3350, 0.1M Bis-Tris, 0.2M Sodium Iodide, Streak seeding, pH 6.25, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.78 Å R-free 0.274
3WN5 Crystal structure of asymmetrically engineered Fc variant in complex with FcgRIIIa Deposited 2013-12-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 99–328（230 aa） Fragment：UNP RESIDUES 99-328
Chain E 99–328（230 aa） Fragment：UNP RESIDUES 99-328
Mutation：C220S, D270E, K326D, A330K, K334E, D356C, T366S, L368A, Y407V Mutation：C220S, L234Y, L235Y, G236W, S239M, H268D, S298A, A327D, Y349C, T366W IOD IODIDE ION × 9 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.25；293 K；14.5% PEG 3350, 0.1M Bis-Tris, 0.2M Sodium Iodide, Streak seeding, pH 6.25, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.78 Å R-free 0.274
4ACP Deactivation of human IgG1 Fc by endoglycosidase treatment Deposited 2011-12-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 101–329（229 aa） Fragment：IMMUNOGLOBULIN GAMMA, FC, RESIDUES 101-329
Chain B 101–329（229 aa） Fragment：IMMUNOGLOBULIN GAMMA, FC, RESIDUES 101-329
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4；25% W/V POLYETHYLENE GLYCOL 1500, 0.1 M SPG SYSTEM BUFFER PH 4
Resolution 2.49 Å R-free 0.234
4B7I Crystal Structure of Human IgG Fc Bearing Hybrid-type Glycans Deposited 2012-08-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 120–329（210 aa） Fragment：IMMUNOGLOBULIN GAMMA, FC, RESIDUES 120-329
Chain B 120–329（210 aa） Fragment：IMMUNOGLOBULIN GAMMA, FC, RESIDUES 120-329
Not recorded CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；20% W/V PEG 3350 PH 5.5, 0.2 M SODIUM/POTASSIUM PHOSPHATE
Resolution 2.36 Å R-free 0.266
4BM7 Crystal Structure of IgG Fc F241A mutant with native glycosylation Deposited 2013-05-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric
Chain A 106–329（224 aa） Fragment：IMMUNOGLOBULIN GAMMA, FC, RESIDUES 101-329
Mutation：YES CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；28% POLYETHYLENE GLYCOL MONOMETHYL ETHER 2,000 IN 0.1M BIS-TRIS BUFFER AT PH 6.5
Resolution 1.95 Å R-free 0.234
4BM7 Crystal Structure of IgG Fc F241A mutant with native glycosylation Deposited 2013-05-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 106–329（224 aa） Fragment：IMMUNOGLOBULIN GAMMA, FC, RESIDUES 101-329
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；28% POLYETHYLENE GLYCOL MONOMETHYL ETHER 2,000 IN 0.1M BIS-TRIS BUFFER AT PH 6.5
Resolution 1.95 Å R-free 0.234
4BSV Heterodimeric Fc Antibody Azymetric Variant 1 Deposited 2013-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 106–330（225 aa） Fragment：IG GAMMA 1 FC DOMAIN, RESIDUES 106-330
Chain B 106–330（225 aa） Fragment：IG GAMMA 1 FC DOMAIN, RESIDUES 106-330
Mutation：YES Mutation：YES EDO 1,2-ETHANEDIOL × 9 IOD IODIDE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；VIA HANGING DROP VAPOR DIFFUSION METHOD AT A RATIO OF 2:1 OF 8.5 MG/ML OF AZYMETRIC VARIANT ABOVE A MOTHER LIQUOR SOLUTION COMPOSED OF 5% (V/V) ETHYLENE GLYCOL, 18% (W/V) POLYETHYLENE GLYCOL 3350, AND 0.15 M AMMONIUM IODIDE WITH AID OF MICROSEEDING.
Resolution 1.75 Å R-free 0.208
4BSW Heterodimeric Fc Antibody Azymetric Variant 2 Deposited 2013-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 106–330（225 aa） Fragment：IG GAMMA 1 FC DOMAIN, RESIDUES 106-330
Chain B 106–330（225 aa） Fragment：IG GAMMA 1 FC DOMAIN, RESIDUES 106-330
Mutation：YES Mutation：YES EDO 1,2-ETHANEDIOL × 5 IOD IODIDE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；VIA HANGING DROP VAPOR DIFFUSION METHOD AT A RATIO OF 2:1 OF 8.5 MG/ML OF AZYMETRIC VARIANT 2 ABOVE A MOTHER LIQUOR SOLUTION COMPOSED OF 5% (V/V) ETHYLENE GLYCOL, 18% (W/V) POLYETHYLENE GLYCOL 3350, AND 0.15 M AMMONIUM IODIDE WITH AID OF MICROSEEDING.
Resolution 2.15 Å R-free 0.259
4BYH Crystal structure of sialylated IgG Fc Deposited 2013-07-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 106–329（224 aa） Fragment：RESIDUES 106-329
Chain B 106–329（224 aa） Fragment：RESIDUES 106-329
Not recorded CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4；4M NACL, 0.1 M CITRATE PH 4.0
Resolution 2.30 Å R-free 0.262
4CDH Crystallographic structure of the Human Igg1 alpha 2-6 sialilated Fc-Fragment Deposited 2013-10-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 101–330（230 aa） Fragment：FC, RESIDUES 101-330
Chain B 101–330（230 aa） Fragment：FC, RESIDUES 101-330
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；CRYSTALLIZATION TRIALS WERE PERFORMED AT 18 C BY THE SITTING DROP VAPOUR DIFFUSION METHOD. CRYSTALS GROWN BY MIXING 1 UL OF FC-SIAL (9 MG/ML IN PBS) WITH 3 UL OF PRECIPITANT SOLUTION CONSISTING OF 0.1M HEPES PH7, 16% PEG 6000, VAPOR DIFFUSION, TEMPERATURE 298K
Resolution 2.30 Å R-free 0.282
4D9Q Inhibiting Alternative Pathway Complement Activation by Targeting the Exosite on Factor D Deposited 2012-01-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 23–102（80 aa）
Not recorded GOL GLYCEROL × 3 ZN ZINC ION × 4 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；292 K；0.1 M MES pH 6.5, 25% PEG 550 MME, 0.01 M zinc sulfate and 3% 6-aminohexanoic acid, VAPOR DIFFUSION, SITTING DROP, temperature 292K
Resolution 2.28 Å R-free 0.230
4D9Q Inhibiting Alternative Pathway Complement Activation by Targeting the Exosite on Factor D Deposited 2012-01-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 23–102（80 aa）
Not recorded GOL GLYCEROL × 7 ZN ZINC ION × 3 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；292 K；0.1 M MES pH 6.5, 25% PEG 550 MME, 0.01 M zinc sulfate and 3% 6-aminohexanoic acid, VAPOR DIFFUSION, SITTING DROP, temperature 292K
Resolution 2.28 Å R-free 0.230
4D9Q Inhibiting Alternative Pathway Complement Activation by Targeting the Exosite on Factor D Deposited 2012-01-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain E 23–102（80 aa）
Chain H 23–102（80 aa）
Not recorded GOL GLYCEROL × 10 ZN ZINC ION × 7 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；292 K；0.1 M MES pH 6.5, 25% PEG 550 MME, 0.01 M zinc sulfate and 3% 6-aminohexanoic acid, VAPOR DIFFUSION, SITTING DROP, temperature 292K
Resolution 2.28 Å R-free 0.230
4D9R Inhibiting Alternative Pathway Complement Activation by Targeting the Exosite on Factor D Deposited 2012-01-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 1–103（103 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.1 M Tris-HCl, 0.02 M NH4PO4, MPD 50.0% v/v, 0.01 M hexamine cobalt (III) chloride, pH 8.5, vapor diffusion, hanging drop, temperature 277K
Resolution 2.42 Å R-free 0.251
4D9R Inhibiting Alternative Pathway Complement Activation by Targeting the Exosite on Factor D Deposited 2012-01-11 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 1–103（103 aa）
Not recorded CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.1 M Tris-HCl, 0.02 M NH4PO4, MPD 50.0% v/v, 0.01 M hexamine cobalt (III) chloride, pH 8.5, vapor diffusion, hanging drop, temperature 277K
Resolution 2.42 Å R-free 0.251
4DAG Structure of the Human Metapneumovirus Fusion Protein with Neutralizing Antibody Identifies a Pneumovirus Antigenic Site Deposited 2012-01-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 18–98（81 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；16% PEG 5000 MME, 15% Glycerol, 100 mM Citrate pH 5.6. Crystals appeared after 7-15 days with two distinct morphologies: a square-like crystal and a longer, pointed crystal form., VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.39 Å R-free 0.289
4DAG Structure of the Human Metapneumovirus Fusion Protein with Neutralizing Antibody Identifies a Pneumovirus Antigenic Site Deposited 2012-01-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 6 PDB declaration: hexameric
Chain H 18–98（81 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；16% PEG 5000 MME, 15% Glycerol, 100 mM Citrate pH 5.6. Crystals appeared after 7-15 days with two distinct morphologies: a square-like crystal and a longer, pointed crystal form., VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 3.39 Å R-free 0.289
4DZ8 human IgG1 Fc fragment Heterodimer Deposited 2012-02-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 108–330（223 aa） Fragment：unp residues 108-330
Chain B 108–330（223 aa） Fragment：unp residues 108-330
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；295 K；50 mM Hepes, pH 7.0, 1% Tryptone, and 20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 1.91 Å R-free 0.237
4KU1 Role of the hinge and C-gamma-2/C-gamma-3 interface in immunoglobin G1 Fc domain motions: implications for Fc engineering Deposited 2013-05-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 120–327（208 aa） Fragment：UNP residues 120-327
Chain B 120–327（208 aa） Fragment：UNP residues 120-327
Not recorded PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；Sitting drop 1:1 drop using 0.1 M sodium acetate and 30% polyethylene glycol 1,500, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 1.90 Å R-free 0.258
4LLD Structure of wild-type IgG1 antibody heavy chain constant domain 1 and light chain lambda constant domain (IgG1 CH1:Clambda) at 1.19A Deposited 2013-07-09 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–103（103 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；294 K；35% PEG 4K, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 1.19 Å R-free 0.170
4LLM Structure of redesigned IgG1 first constant and lambda domains (CH1:Clambda constant redesign 1, CRD1) at 1.75A Deposited 2013-07-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–103（103 aa）
Mutation：D163K, V200F, F185T No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.2；294 K；40% PEG 6K + 10mM tri-Sodium Citrate dihydrate, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 1.75 Å R-free 0.220
4N0U Ternary complex between Neonatal Fc receptor, serum albumin and Fc Deposited 2013-10-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 8 PDB declaration: octameric
Chain E 119–327（209 aa） Fragment：IgG1 Fc, unp reisdues 119-327
Mutation：M252Y, S254T, T256E No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.2；298 K；4% Tacsimate, pH 4.0, 12% PEG 3350, VAPOR DIFFUSION, temperature 298K
Resolution 3.80 Å R-free 0.303
4NQS Knob-into-hole IgG Fc Deposited 2013-11-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 118–330（213 aa） Fragment：UNP residues 118-330
Chain B 118–330（213 aa） Fragment：UNP residues 118-330
Mutation：T366S/L368A/Y407V Mutation：T366W No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；20% PEG2000 MME, 10% 2-propanol, 0.1 M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.64 Å R-free 0.266
4NQS Knob-into-hole IgG Fc Deposited 2013-11-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain G 118–330（213 aa） Fragment：UNP residues 118-330
Chain H 118–330（213 aa） Fragment：UNP residues 118-330
Mutation：T366S/L368A/Y407V Mutation：T366W No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；20% PEG2000 MME, 10% 2-propanol, 0.1 M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.64 Å R-free 0.266
4NQT anti-parallel Fc-hole(T366S/L368A/Y407V) homodimer Deposited 2013-11-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 118–330（213 aa） Fragment：UNP residues 118-330
Mutation：T366S/L368A/Y407V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；25% PEG1500, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.10 Å R-free 0.253
4NQU anti-parallel Fc-knob (T366W) homodimer Deposited 2013-11-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 118–330（213 aa） Fragment：UNP residues 118-330
Mutation：T366W SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；20% PEG2000 MME, 0.2 M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.50 Å R-free 0.287
4NWT Crystal structure of the anti-human NGF Fab APE1531 Deposited 2013-12-06 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 9–95（87 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 ACT ACETATE ION × 4 PGE TRIETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；12% PEG 20000, 0.1M NaCl, 0.1M MES pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 1.75 Å R-free 0.181
4NWU Crystal structure of APE1551, an anti-human NGF Fab with a nine amino acid insertion in CDR H1 Deposited 2013-12-06 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 9–105（97 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；16% PEG 6000, 0.1 M Citric acid pH6.0-7.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K
Resolution 1.60 Å R-free 0.198
4Q6Y Crystal structure of a chemoenzymatic glycoengineered disialylated Fc (di-sFc) Deposited 2014-04-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 109–329（221 aa） Fragment：UNP residues 109-329
Chain B 109–329（221 aa） Fragment：UNP residues 109-329
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293.15 K；0.2 M magnesium chloride, 0.1 M sodium acetate pH 5, and 20% (w/v) PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
Resolution 3.00 Å R-free 0.280
4Q6Y Crystal structure of a chemoenzymatic glycoengineered disialylated Fc (di-sFc) Deposited 2014-04-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 109–329（221 aa） Fragment：UNP residues 109-329
Chain D 109–329（221 aa） Fragment：UNP residues 109-329
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293.15 K；0.2 M magnesium chloride, 0.1 M sodium acetate pH 5, and 20% (w/v) PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
Resolution 3.00 Å R-free 0.280
4Q74 F241A Fc Deposited 2014-04-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 108–329（222 aa） Fragment：UNP residues 108-329
Chain B 108–329（222 aa） Fragment：UNP residues 108-329
Mutation：F241A Mutation：F241A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；30% PEG 1500 at 20 C and cryopreserved in well solution containing 25% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
Resolution 2.19 Å R-free 0.232
4Q7D Wild type Fc (wtFc) Deposited 2014-04-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 109–329（221 aa） Fragment：UNP residues 109-329
Chain B 109–329（221 aa） Fragment：UNP residues 109-329
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；18% PEG 3350, 0.1M Sodium Cacodylate. Cryopreserved with 25% glycerol, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
Resolution 2.35 Å R-free 0.264
4W4N Crystal structure of human Fc at 1.80 A Deposited 2014-08-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 107–329（223 aa） Fragment：UNP residues 107-329
Chain B 107–329（223 aa） Fragment：UNP residues 107-329
Not recorded GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.1；293 K；0.2M calcium acetate, 0.1M sodium cacodylate, 19% PEG 8000
Resolution 1.80 Å R-free 0.244
4W4O High-resolution crystal structure of Fc bound to its human receptor Fc-gamma-RI Deposited 2014-08-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 107–330（224 aa） Fragment：UNP residues 107-330
Chain B 107–330（224 aa） Fragment：UNP residues 107-330
Not recorded ZN ZINC ION × 6 ACT ACETATE ION × 9 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；0.1M sodium acetate, 0.1 M zinc acetate, 4% 1,4-butanediol, 12% PEG 4,000
Resolution 1.80 Å R-free 0.215
4WI2 Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc (wild-type) Deposited 2014-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 120–327（208 aa） Fragment：unp residues 120-327
Chain B 120–327（208 aa） Fragment：unp residues 120-327
Not recorded EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；PEG 6000, 0.1 M MES, 25% v/v ethylene glycol
Resolution 1.90 Å R-free 0.269
4WI3 Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation I253A Deposited 2014-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 120–327（208 aa） Fragment：unp residues 120-327
Chain B 120–327（208 aa） Fragment：unp residues 120-327
Mutation：I253A Mutation：I253A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；PEG 6000, 0.1 M MES, 25% v/v ethylene glycol
Resolution 2.70 Å R-free 0.296
4WI4 Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation S254A Deposited 2014-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 121–327（207 aa） Fragment：unp residues 120-317
Chain B 121–327（207 aa） Fragment：unp residues 120-317
Mutation：S254A Mutation：S254A EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；PEG 6000, 0.1 M MES, 25% v/v ethylene glycol
Resolution 2.80 Å R-free 0.308
4WI5 Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation H310A Deposited 2014-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 120–327（208 aa） Fragment：unp residues 120-327
Chain B 120–327（208 aa） Fragment：unp residues 120-327
Mutation：H310A Mutation：H310A EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；PEG 6000, 0.1 M MES, 25% v/v ethylene glycol
Resolution 2.80 Å R-free 0.301
4WI6 Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation N434A Deposited 2014-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 120–327（208 aa） Fragment：unp residues 120-327
Chain B 120–327（208 aa） Fragment：unp residues 120-327
Mutation：N434A Mutation：N434A EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；PEG 6000, 0.1 M MES, 25% v/v ethylene glycol
Resolution 2.20 Å R-free 0.291
4WI7 Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation H435A Deposited 2014-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 120–327（208 aa）
Chain B 120–327（208 aa）
Mutation：H435A Mutation：H435A EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；PEG 6000, 0.1 M MES, 25% v/v ethylene glycol
Resolution 1.90 Å R-free 0.273
4WI8 Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation Y436A Deposited 2014-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 120–327（208 aa）
Chain B 120–327（208 aa）
Mutation：Y436A Mutation：Y436A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；PEG 6000, 0.1 M MES, 25% v/v ethylene glycol
Resolution 2.80 Å R-free 0.294
4WI9 Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation I253A/H310A Deposited 2014-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 120–327（208 aa） Fragment：unp residues 120-327
Chain B 120–327（208 aa） Fragment：unp residues 120-327
Mutation：I253A/H310A Mutation：I253A/H310A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；PEG 6000, 0.1 M MES, 25% v/v ethylene glycol
Resolution 2.65 Å R-free 0.274
4X4M Structure of FcgammaRI in complex with Fc reveals the importance of glycan recognition for high affinity IgG binding Deposited 2014-12-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 112–330（219 aa） Fragment：CH2 and CH3 regions, residues 112-330
Chain B 112–330（219 aa） Fragment：CH2 and CH3 regions, residues 112-330
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；PEG8000, 10mM Hepes(pH7.5), 50mM Lithium sulfate
Resolution 3.48 Å R-free 0.296
4X4M Structure of FcgammaRI in complex with Fc reveals the importance of glycan recognition for high affinity IgG binding Deposited 2014-12-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 112–330（219 aa） Fragment：CH2 and CH3 regions, residues 112-330
Chain D 112–330（219 aa） Fragment：CH2 and CH3 regions, residues 112-330
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FUL beta-L-fucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；PEG8000, 10mM Hepes(pH7.5), 50mM Lithium sulfate
Resolution 3.48 Å R-free 0.296
4X98 Immunoglobulin Fc heterodimer variant Deposited 2014-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 108–327（220 aa） Fragment：UNP RESIDUES 108-327
Chain B 121–327（207 aa） Fragment：UNP RESIDUES 121-327
Mutation：K360E, K409W Mutation：Q347R, D399V, F405T No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；3M NaCl, 0.1M sodium acetate, pH 4.5
Resolution 2.50 Å R-free 0.274
4X99 Immunoglobulin Fc heterodimers variant Deposited 2014-12-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 108–330（223 aa） Fragment：UNP RESIDUES 108-330
Chain B 108–330（223 aa） Fragment：UNP RESIDUES 108-330
Mutation：Y349C, K360E, K409W Mutation：Q347R, S354C, D399V, F405T No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；3M NaCl, 0.1M sodium acetate, pH 4.5
Resolution 2.50 Å R-free 0.283
4ZNE IgG1 Fc-FcgammaRI ecd complex Deposited 2015-05-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 104–330（227 aa） Fragment：unp residues 104-330
Chain J 104–330（227 aa） Fragment：unp residues 104-330
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ZN ZINC ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；295 K；50 mM Zinc acetate dehydrate and 20% PEG 3350
Resolution 2.42 Å R-free 0.254
5BW7 Crystal structure of nonfucosylated Fc Y296W mutant complexed with bis-glycosylated soluble form of Fc gamma receptor IIIa Deposited 2015-06-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 108–330（223 aa） Fragment：UNP residues 108-330
Chain B 108–330（223 aa） Fragment：UNP residues 108-330
Mutation：Y296W Mutation：Y296W CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；12% PEG20,000 0.1 M MES (pH 6.5) 1% Zwittergent 3-08
Resolution 3.00 Å R-free 0.250
5C7K Crystal structure BG505 SOSIP gp140 HIV-1 Env trimer bound to broadly neutralizing antibodies PGT128 and 8ANC195 Deposited 2015-06-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 18 PDB declaration: octadecameric
Chain E 1–106（106 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 18 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；280 K；0.05 M lithium sulfate, 0.05 M sodium sulfate, 26% (w/v) PEG 400 and 0.1 M Tris-HCl pH 8.3
Resolution 4.60 Å R-free 0.295
5D4Q Crystal structure of GASDALIE IgG1 Fc Deposited 2015-08-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 109–329（221 aa） Fragment：UNP residues 109-329
Chain B 109–329（221 aa） Fragment：UNP residues 109-329
Mutation：G236A, S239D, A330L, I332E Mutation：G236A, S239D, A330L, I332E FUC alpha-L-fucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.2 M ammonium formate and 20% (w/v) PEG 3350
Resolution 2.39 Å R-free 0.258
5D6D Crystal structure of GASDALIE IgG1 Fc in complex with FcgRIIIa Deposited 2015-08-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 108–329（222 aa） Fragment：UNP residues 109-329
Chain B 108–329（222 aa） Fragment：UNP residues 109-329
Mutation：G236A, S239D,A330L, I332E Mutation：G236A, S239D,A330L, I332E FUC alpha-L-fucopyranose × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；grown in sitting drop vapor diffusion by mixing equal volumes of protein (10 mg/ml) with a solution containing 0.04 M potassium dihydrogen phosphate and 16% (w/v) PEG 8000 at 293.15 K
Resolution 3.13 Å R-free 0.296
5DI8 Fc Knob-Hole Heterodimer T366W + T366S/L368A/Y407V Deposited 2015-08-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Chain B 104–330（227 aa） Fragment：UNP residues 104-330
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；100mM Hepes pH 7.5 + 2% Isopropanol + 18% PEG 8K + 100mM Sodium Acetate
Resolution 1.90 Å R-free 0.275
5DJ0 Fc Heterodimer Design 11.2 Y349S/K370Y + E357D/S364Q Deposited 2015-09-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Chain B 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：Y349S, K370Y Mutation：E357D, S364Q No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；13% PEG 3350 + 200mM Magnesium Formate dihydrate
Resolution 2.28 Å R-free 0.251
5DJ2 Fc Heterodimer Design 7.4 Y407A + T366V/K409V Deposited 2015-09-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Chain B 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：Y407A Mutation：T366V, K409V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；17% PEG 3350 + 100mM Magnesium Formate dihydrate
Resolution 2.56 Å R-free 0.243
5DJ6 Fc Heterodimer Design 6.1 F405W/Y407A + T366M Deposited 2015-09-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Chain B 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：F405W, Y407A Mutation：T366M No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；20% PEG 3350 + 200mM Magnesium Formate dihydrate
Resolution 2.00 Å R-free 0.282
5DJ8 Fc Heterodimer Design 7.7 D399M/Y407A + T366V/K409I Deposited 2015-09-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Chain B 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：D399M, Y407A Mutation：T366V, K409I No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；31% PEG 3350 + 100mM Ammonium Iodide
Resolution 2.40 Å R-free 0.260
5DJA Fc Heterodimer Design 9.1 Y407M + T366I Deposited 2015-09-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Chain B 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：Y407M Mutation：T366I No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；17% PEG 3350 + 100mM Ammonium Iodide
Resolution 2.90 Å R-free 0.281
5DJC Fc Heterodimer Design 8.1 L368V/Y407A + T366V/K409F Deposited 2015-09-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Chain B 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：L368V, Y407A Mutation：T366V, K409F No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；17% PEG 3350 + 100mM Ammonium Iodide
Resolution 2.10 Å R-free 0.285
5DJC Fc Heterodimer Design 8.1 L368V/Y407A + T366V/K409F Deposited 2015-09-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 104–330（227 aa） Fragment：UNP residues 104-330
Chain E 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：L368V, Y407A Mutation：T366V, K409F IOD IODIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；17% PEG 3350 + 100mM Ammonium Iodide
Resolution 2.10 Å R-free 0.285
5DJD Fc Heterodimer Design 5.1 T366V + Y407F Deposited 2015-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Chain B 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：T366V Mutation：Y407F No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；100mM Imidazole pH 7 + 20% PEG 6000
Resolution 2.30 Å R-free 0.276
5DJX Fc Heterodimer Design 2.9 L368M/K370E + E357A/S364G Deposited 2015-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Chain B 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：L368M, K370E Mutation：E357A, S364G No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；5% Glycerol + 15% PEG 6K
Resolution 2.25 Å R-free 0.256
5DJX Fc Heterodimer Design 2.9 L368M/K370E + E357A/S364G Deposited 2015-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 104–330（227 aa） Fragment：UNP residues 104-330
Chain E 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：L368M, K370E Mutation：E357A, S364G No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；5% Glycerol + 15% PEG 6K
Resolution 2.25 Å R-free 0.256
5DJY Fc Heterodimer Design 20.8 Y349S/T366V/K370Y/K409V + E357D/S364Q/Y407A Deposited 2015-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Chain B 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：Y349S, T366V, K370Y, K409V Mutation：E357D, S364Q, Y407A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；100mM Tris HCl pH 8.5 + 20% PEG 10K
Resolution 2.15 Å R-free 0.277
5DJZ Fc Heterodimer Design 7.8 D399M/Y407A + T366V/K409V Deposited 2015-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Chain B 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：D399M, Y407A Mutation：T366V, K409V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；15% PEG 6K + 10mM Magnesium Chloride + 50mM Potassium Chloride
Resolution 1.90 Å R-free 0.277
5DK0 Fc Heterodimer Design 20.8.34 Y349S/T366M/K370Y/K409V + E356G/E357D/S364Q/Y407A Deposited 2015-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Chain B 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：Y349S, T366M, K370Y, K409V Mutation：E356G, E357D, S364Q, Y407A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；100mM Tris pH 8.5 + 20% PEG 4K + 200mM Calcium Chloride
Resolution 2.30 Å R-free 0.273
5DK2 Fc Heterodimer E356K/D399K + K392D/K409D Deposited 2015-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Chain B 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：E356K, D399K Mutation：K392D, K409D No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；100mM MES pH 6.5 + 12% PEG 8K + 200mM Sodium Acetate
Resolution 2.60 Å R-free 0.289
5DK2 Fc Heterodimer E356K/D399K + K392D/K409D Deposited 2015-09-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain D 104–330（227 aa） Fragment：UNP residues 104-330
Chain E 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：E356K, D399K Mutation：K392D, K409D No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；100mM MES pH 6.5 + 12% PEG 8K + 200mM Sodium Acetate
Resolution 2.60 Å R-free 0.289
5DVK Fc Design 7.7 B chain homodimer T366V/K409I Deposited 2015-09-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：T366V, K409I No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；100mM Hepes pH 7.5 + 10% Isopropanol + 20% PEG 4K
Resolution 2.60 Å R-free 0.289
5DVL Fc Design 20.8.37 A chain homodimer Y349S/T366M/K370Y/K409V Deposited 2015-09-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：Y349S, T366M, K370Y, K409V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；100mM Tris HCl pH 8.5 + 15% PEG 20K
Resolution 1.90 Å R-free 0.222
5DVM Fc Design 20.8.37 B chain homodimer E357D/S364R/Y407A Deposited 2015-09-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：E357D, S364R, Y407A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；100mM Sodium Cacodylate pH 6.5 + 20% PEG 8K + 200mM Magnesium Acetate tetrahydrate
Resolution 2.95 Å R-free 0.288
5DVN Fc K392D/K409D homodimer Deposited 2015-09-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：K392D, K409D No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；100mM Tris pH 8.5 + 25% PEG MME 5K + 200mM Lithium Sulfate
Resolution 2.50 Å R-free 0.244
5DVO Fc K392D/K409D homodimer Deposited 2015-09-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Chain B 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：K392D, K409D Mutation：K392D, K409D SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；294 K；100mM Sodium Acetate pH 4.5 + 2000mM Ammonium Sulfate
Resolution 2.50 Å R-free 0.261
5GSQ Crystal structure of IgG Fc with a homogeneous glycoform and Antibody-Dependent Cellular Cytotoxicity Deposited 2016-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 106–330（225 aa） Fragment：UNP residues 106-330
Chain B 106–330（225 aa） Fragment：UNP residues 106-330
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；0.1M sodium acetate trihydrate, pH4.5, 30% (w/v) PEG 3350
Resolution 1.85 Å R-free 0.267
5GSQ Crystal structure of IgG Fc with a homogeneous glycoform and Antibody-Dependent Cellular Cytotoxicity Deposited 2016-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 106–330（225 aa） Fragment：UNP residues 106-330
Chain D 106–330（225 aa） Fragment：UNP residues 106-330
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；0.1M sodium acetate trihydrate, pH4.5, 30% (w/v) PEG 3350
Resolution 1.85 Å R-free 0.267
5HSF 1.52 Angstrom Crystal Structure of Fc fragment of Human IgG1. Deposited 2016-01-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 221–330（110 aa）
Chain B 221–330（110 aa）
Not recorded PGE TRIETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.3；295 K；Protein: 11.0 mg/ml, 0.25M Sodium chloride, 0.1M Tris HCl (pH 8.3); Screen: PEGs II (F4), 0.2M Ammonium sulfate, 0.1M Sodium acetate, 22% (w/v) PEG 4000
Resolution 1.52 Å R-free 0.188
5HY9 Glycosylated, disulfide-linked Knob-into-Hole Fc fragment Deposited 2016-02-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 104–330（227 aa）
Chain B 104–330（227 aa）
Mutation：T366W, S354C No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；2.5 M sodium chloride, 0.1 M acetate
Resolution 2.70 Å R-free 0.272
5HYE Glycosylated Knob-Knob Fc fragment (P212121) Deposited 2016-02-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Chain C 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：T366W, S354C Mutation：T366W, S354C No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；1.0 M ammonium phosphate, 0.1 M citrate, 0.2 M sodium chloride
Resolution 1.89 Å R-free 0.275
5HYF Glycosylated Knob-Knob Fc fragment (P6122) Deposited 2016-02-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：T366W, S354C No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；2.5 M sodium chloride, 0.1 M acetate
Resolution 1.80 Å R-free 0.248
5HYI Glycosylated, disulfide-linked Hole-Hole Fc fragment Deposited 2016-02-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Chain B 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：Y349C, T366S, L368A, Y407V Mutation：Y349C, T366S, L368A, Y407V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；293 K；20% PEG8000, 0.1 M phosphate-citrate, 0.2 M sodium chloride, 0.55% n-dodecyl-N,N-dimethylamine-N-oxide
Resolution 2.90 Å R-free 0.235
5HYI Glycosylated, disulfide-linked Hole-Hole Fc fragment Deposited 2016-02-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 104–330（227 aa） Fragment：UNP residues 104-330
Chain D 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：Y349C, T366S, L368A, Y407V Mutation：Y349C, T366S, L368A, Y407V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；293 K；20% PEG8000, 0.1 M phosphate-citrate, 0.2 M sodium chloride, 0.55% n-dodecyl-N,N-dimethylamine-N-oxide
Resolution 2.90 Å R-free 0.235
5IQ7 Crystal structure of 10E8-S74W Fab in complex with an HIV-1 gp41 peptide. Deposited 2016-03-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 1–102（102 aa）
Mutation：S74W,S74W No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；40% PEG400, 0.1M NaCitrate, 0.1M Tris-HCl, 7.5
Resolution 3.29 Å R-free 0.282
5IQ9 Crystal structure of 10E8v4 Fab in complex with an HIV-1 gp41 peptide. Deposited 2016-03-10 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–101（101 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；15% PEG3350, 25% Isopropanol, 0.1M Tris-HCl, 8.5, 10% Jeffamine.
Resolution 2.40 Å R-free 0.236
5IQ9 Crystal structure of 10E8v4 Fab in complex with an HIV-1 gp41 peptide. Deposited 2016-03-10 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain H 1–101（101 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；15% PEG3350, 25% Isopropanol, 0.1M Tris-HCl, 8.5, 10% Jeffamine.
Resolution 2.40 Å R-free 0.236
5IW3 anti-CD20 monoclonal antibody Fc fragment Deposited 2016-03-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 119–326（208 aa） Fragment：D379E, L381M
Mutation：UNP residues 119-326 SO4 SULFATE ION × 6 ACT ACETATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；30% PEG 400, 0.1 M NaAc pH4.6, 0.1M CdSO4
Resolution 2.05 Å R-free 0.207
5IW6 anti-CD20 monoclonal antibody Fc fragment Deposited 2016-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 119–327（209 aa） Fragment：UNP residues 119-327
Chain B 122–326（205 aa） Fragment：UNP residues 122-326
Mutation：D379E, L381M Mutation：D379E, L381M No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；PEG 12000, Na HEPES
Resolution 2.34 Å R-free 0.259
5JIH Crystal structure of HER2 binding IgG1-Fc (Fcab STAB19) Deposited 2016-04-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 108–329（222 aa） Fragment：Hinge-CH2-CH3, UNP Residues 108-329
Chain B 108–329（222 aa） Fragment：Hinge-CH2-CH3, UNP Residues 108-329
Mutation：10 mutations: L358Y;T359L;K360S;N361D;Q362S;D413P;K414R;S415H;Q418A;Q419H. 5 insertions: S415a;E415b;T415c;M415d;R415e Mutation：10 mutations: L358Y;T359L;K360S;N361D;Q362S;D413P;K414R;S415H;Q418A;Q419H. 5 insertions: S415a;E415b;T415c;M415d;R415e No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.05 M TRIS, 22% (w/v) PEG 3350
Resolution 1.66 Å R-free 0.231
5JII Crystal structure of human IgG1-Fc Deposited 2016-04-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 108–329（222 aa） Fragment：Hinge-CH2-CH3, UNP Residues 108-329
Chain B 108–329（222 aa） Fragment：Hinge-CH2-CH3, UNP Residues 108-329
Not recorded PO4 PHOSPHATE ION × 2 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；295 K；0.05 M Sodium phosphate, 16% (w/v) PEG 3350
Resolution 1.79 Å R-free 0.221
5JIK Crystal structure of HER2 binding IgG1-Fc (Fcab H10-03-6) Deposited 2016-04-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 108–329（222 aa） Fragment：Hinge-CH2-CH3, UNP Residues 108-329
Chain B 108–329（222 aa） Fragment：Hinge-CH2-CH3, UNP Residues 108-329
Mutation：10 mutations: L358Y;T359L;K360Y;N361G;Q362D;D413P;K414R;S415H;Q418A;Q419H. 5 insertions: S415a;A415b;R415c;M415d;W415e Mutation：10 mutations: L358Y;T359L;K360Y;N361G;Q362D;D413P;K414R;S415H;Q418A;Q419H. 5 insertions: S415a;A415b;R415c;M415d;W415e No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；295 K；0.05 M HEPES, 24% (w/v) PEG 3350
Resolution 1.82 Å R-free 0.259
5K33 Crystal structure of extracellular domain of HER2 in complex with Fcab STAB19 Deposited 2016-05-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 108–329（222 aa）
Mutation：L358Y;T359L;K360S;N361D;Q362S;D413P;K414R;S415H; Q418A;Q418H 5 insertion at position 415a to 415e: SETMR GOL GLYCEROL × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；295 K；0.05 M MES, 10% w/v PEG3350
Resolution 3.30 Å R-free 0.271
5K64 Crystal structure of VEGF binding IgG1-Fc (Fcab 448) Deposited 2016-05-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 108–330（223 aa）
Chain B 108–330（223 aa）
Mutation：T359R, K360F, N361Y, E388D, N389I, 389aF, 389bP, 389cN, 389dG, 389eL, D413P, K414Y, S415P, R416S, Q418L, Q419M, N421T, V422R Mutation：T359R, K360F, N361Y, E388D, N389I, 389aF, 389bP, 389cN, 389dG, 389eL, D413P, K414Y, S415P, R416S, Q418L, Q419M, N421T, V422R GOL GLYCEROL × 3 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；295 K；0.05 M MES, 10% (w/v) PEG 3350
Resolution 2.44 Å R-free 0.249
5K65 Crystal structure of VEGF binding IgG1-Fc (Fcab CT6) Deposited 2016-05-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 108–330（223 aa）
Chain B 108–330（223 aa）
Mutation：;T359R, K360F, N361Y, E388D, N389I, 389aF, 389bP, 389cN, 389dG, 389eL, D413P, K414Y, S415P, R416S, Q418L, Q419M, N421T, V422R, S440H. S442E, L443Y, S444Q, P445W, G446P, K447T ; Mutation：;T359R, K360F, N361Y, E388D, N389I, 389aF, 389bP, 389cN, 389dG, 389eL, D413P, K414Y, S415P, R416S, Q418L, Q419M, N421T, V422R, S440H. S442E, L443Y, S444Q, P445W, G446P, K447T ; No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；Morpheus_C6 0.03M of each NPS: (sodium nitrate, disodium hydrogen phosphate, ammonium sulfate). 0.1M MOPS/HEPES-Na pH 7.5 10% w/v PEG 8000, 20% v/v ethylene glycol
Resolution 2.50 Å R-free 0.246
5K8D Crystal structure of rFVIIIFc Deposited 2016-05-29 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 104–329（226 aa）
Not recorded CA CALCIUM ION × 3 CU COPPER (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.3；297 K；5% Ethanol, 100mM TRIS pH 7.3
Resolution 4.19 Å R-free 0.362
5KWG Crystal structure of extracellular domain of HER2 in complex with Fcab H10-03-6 Deposited 2016-07-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 108–330（223 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；295 K；50 mM Citric acid, 18% (w/v) PEG 3350
Resolution 4.30 Å R-free 0.369
5M3V BEAT Fc Deposited 2016-10-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 104–223（120 aa）
Chain B 104–330（227 aa）
Mutation：;S364K T366V K370T K392Y F405S Y407V K409W T411N,S364K T366V K370T K392Y F405S Y407V K409W T411N,S364K T366V K370T K392Y F405S Y407V K409W T411N,S364K T366V K370T K392Y F405S Y407V K409W T411N ; Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Q347E Y349A L351F S364T T366V K370T T394D V397L D399E F405A Y407S K409R T411R Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；CRYSTALS GROWN BY VAPOR DIFFUSION BY MIXING 10.2 MG/ML PROTEIN IN 10 MM TRIS-HCL PH8.0, 100 MM NACL, 1 MM EDTA, EQUALLY WITH 27.00 %(W/V) PEG 1500
Resolution 1.97 Å R-free 0.279
5TPS Structure of a Fc heterodimer Deposited 2016-10-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 104–330（227 aa） Fragment：UNP residues 104-330
Chain B 104–330（227 aa） Fragment：UNP residues 104-330
Mutation：S354C,T366W,K409A Mutation：C349Y,T366S,L368A,F405K,Y407V No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；295 K；15% PEG 3350, 1M LiCl, 0.1M MES pH6.0
Resolution 2.70 Å R-free 0.271
5V43 Engineered human IgG Fc domain aglyco801 Deposited 2017-03-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 104–329（226 aa） Fragment：residues 104-329
Chain B 104–329（226 aa） Fragment：residues 104-329
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；50 mM sodium citrate pH 5.0 0.44 M NaCl 24% w/v PEG 4000
Resolution 2.32 Å R-free 0.225
5V4E Engineered human IgG Fc domain glyco801 (Fc801) Deposited 2017-03-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 104–329（226 aa） Fragment：residues 104-329
Chain B 104–329（226 aa） Fragment：residues 104-329
Not recorded K POTASSIUM ION × 1 MAN alpha-D-mannopyranose × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40 mM potassium phosphate 16% w/v PEG 8000 20% v/v glycerol
Resolution 3.22 Å R-free 0.281
5V4E Engineered human IgG Fc domain glyco801 (Fc801) Deposited 2017-03-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 104–329（226 aa） Fragment：residues 104-329
Chain D 104–329（226 aa） Fragment：residues 104-329
Not recorded K POTASSIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40 mM potassium phosphate 16% w/v PEG 8000 20% v/v glycerol
Resolution 3.22 Å R-free 0.281
5V4E Engineered human IgG Fc domain glyco801 (Fc801) Deposited 2017-03-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 104–329（226 aa） Fragment：residues 104-329
Chain F 104–329（226 aa） Fragment：residues 104-329
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40 mM potassium phosphate 16% w/v PEG 8000 20% v/v glycerol
Resolution 3.22 Å R-free 0.281
5V4E Engineered human IgG Fc domain glyco801 (Fc801) Deposited 2017-03-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain G 104–329（226 aa） Fragment：residues 104-329
Chain H 104–329（226 aa） Fragment：residues 104-329
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；40 mM potassium phosphate 16% w/v PEG 8000 20% v/v glycerol
Resolution 3.22 Å R-free 0.281
6G1E BEAT Fc with improved heterodimerization (Q3A-D84.4Q) Deposited 2018-03-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 104–113（10 aa）
Mutation：L234A, L235A, Q347A, S364K, T366V, K370T, N392Y, F405S, Y407V, K409W, T411N Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；CRYSTALS GROWN BY VAPOR DIFFUSION BY MIXING 12.0 MG/ML PROTEIN IN 10 MM HEPES PH8.0, 100 MM NACL, 1 MM EDTA, EQUALLY WITH 33.00 %(W/V) PEG 1500
Resolution 1.88 Å R-free 0.272
6YT7 GLYCOSYLATED KNOB/DUMMY-HOLE FC FRAGMENT Deposited 2020-04-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 104–330（227 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；294 K；25% (w/v) PEG2000 MME, 0.1M HEPES
Resolution 1.55 Å R-free 0.273
7LUR Stable Effector Functionless 2 (SEFL2) IgG1 Fc Scaffold Bound to a Minimized Version of the B-domain (Mini-Z) from Protein A Called Z34C Deposited 2021-02-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 104–330（227 aa）
Chain B 104–330（227 aa）
Mutation：N297G, R292C, V302C Mutation：N297G, R292C, V302C No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；293 K；0.2 M ammonium tartrate, 20% (w/v) PEG 3350, 10% NDSB-221
Resolution 1.95 Å R-free 0.260
8DIN The complex structure between human IgG1 Fc and its high affinity receptor FcgRI H174R variant Deposited 2022-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 112–330（219 aa） Fragment：CH2 and CH3 regions, residues 112-330
Chain B 112–330（219 aa） Fragment：CH2 and CH3 regions, residues 112-330
Not recorded MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20% PEG3350, 0.2M Magnesium formate
Resolution 2.50 Å R-free 0.223
8DIR The complex structure between human IgG1 Fc and its high affinity receptor FcgRI H174R variant Deposited 2022-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 112–330（219 aa） Fragment：CH2 and CH3 regions, residues 112-330
Chain B 112–330（219 aa） Fragment：CH2 and CH3 regions, residues 112-330
Not recorded NA SODIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20% PEG3350, 0.2M Sodium Formate (pH6.6)
Resolution 2.30 Å R-free 0.233
8DJ7 The complex structure between human IgG1 Fc and its high affinity receptor FcgRI H174R variant Deposited 2022-06-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 112–330（219 aa） Fragment：CH2 and CH3 regions, residues 112-330
Chain B 112–330（219 aa） Fragment：CH2 and CH3 regions, residues 112-330
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；20% PEG3350, 0.2M Magnesium Sulfate
Resolution 2.39 Å R-free 0.266
8YP1 Crystal structure of HARS WHEP domain fused with Fc Deposited 2024-03-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 104–328（225 aa）
Chain B 104–328（225 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 5.5；289 K；100mM BIS-TRIS pH 5.5, 25% PEG 3350
Resolution 2.79 Å R-free 0.256
8YP1 Crystal structure of HARS WHEP domain fused with Fc Deposited 2024-03-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 104–328（225 aa）
Chain D 104–328（225 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 5.5；289 K；100mM BIS-TRIS pH 5.5, 25% PEG 3350
Resolution 2.79 Å R-free 0.256
9HIZ Complex of the Nanofitin Sac7d-C3(C24A) with a human IgG1 Fc fragment Deposited 2024-11-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 119–327（209 aa）
Chain B 119–327（209 aa）
Chain C 119–327（209 aa）
Chain D 119–327（209 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；24 % (w/v) PEG8000, 0.1 M Tris/HCl pH 8.5
Resolution 2.90 Å R-free 0.279
9JMJ Cryo-EM structure of the GD-BatCoV (BtCoV/Ii/GD/2014-422) RBD in complex with human DPP4 Deposited 2024-09-20 Different construct Different mutation/modification Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 99–330（232 aa）
Chain B 99–330（232 aa） Fragment：RBD,RBD
Chain C 99–330（232 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
9MVX Crystal structure of knob-in-hole immunoglobulin G1 Fc heterodimer with P374A Deposited 2025-01-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 108–330（223 aa）
Chain B 108–330（223 aa）
Mutation：I253D, T366S, L368A, P374A, Y407V Mutation：T366W, P374A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；5% MPD, 0.1 M HEPES pH 7.5, 10% PEG 1000
Resolution 1.84 Å R-free 0.255

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View Construct and Data Evidence
UniProt name IGHG1_HUMAN
Isoform —
PDB entities 2
Chains and sequence ranges Author chain B； PDBConstruct 274–505； UniProt 99–330

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

SAXS scattering curve SAXS Profile

SAXS profile for 9jmm

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 9jmm
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2. Structure Basics 2. Structure Basics

Entry ID entry_id9jmm
Deposition date deposition_date2024-09-20
Structure title titleCryo-EM structure of the SE-PangolinCoV (MjHKU4r-CoV-1) RBD in complex with human DPP4
Keywords keywordscomplex, VIRAL PROTEIN; VIRAL PROTEIN
Experimental Method methodELECTRON MICROSCOPY
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier42.23 Å
Radius of gyration Rg (electron density) rg_electron41.96 Å
Forward intensity I(0) i0550862000.00
Molecular weight molecular_weight194930.0 kDa
Excluded volume excluded_volume244110 ų
Envelope volume envelope_volume331460 ų
Hydration-shell volume shell_volume64765 ų
Envelope diameter envelope_diameter141.1 Å
Shell Rg shell_rg48.19 Å
Envelope Rg envelope_rg41.54 Å
Shape Rg shape_rg41.90 Å
Total Rg total_rg42.48 Å
Total atoms total_atoms13761
Residues n_residues1645
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax137.2 Å
Rg (real space) rg_real42.21 Å
Rg uncertainty (real space) rg_real_error1.67 Å
I(0) (real space) i0_real5.5090e+08
I(0) uncertainty (real space) i0_real_error1.0690e+07
Rg (reciprocal space) rg_reciprocal42.23 Å
I(0) (reciprocal space) i0_reciprocal550900000.0000
Solution quality estimate total_estimate0.8891
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary44.5 Å
Skewness Skewness skewness0.280
Kurtosis Kurtosis kurtosis-0.594
Angular range angular_range— – 0.1850 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha63550000.0000
Real-space data points n_real_points38
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.897; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.867
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

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8. Citations (1)

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9. Files and Curves (10)