Dipeptidyl peptidase 4
Homo sapiens
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Other combination Monomer Protein × 1 其他Polymer 2 PDB declaration: monomeric（1） Consistent with protein copy count | Chain A； UniProt 31–766 | Fragment：UNP residues 31-766 | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 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 experimental conditions | Resolution 2.43 Å R-free 0.295 |
| 2 | Other combination Monomer Protein × 1 其他Polymer 2 PDB declaration: monomeric（1） Consistent with protein copy count | Chain B； UniProt 31–766 | Fragment：UNP residues 31-766 | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 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 experimental conditions | Resolution 2.43 Å R-free 0.295 |
| 3 | Other combination Homooligomer Protein × 2 其他Polymer 4 PDB declaration: dimeric（2） Consistent with protein copy count | Chain A； UniProt 31–766 Chain B； UniProt 31–766 | Fragment：UNP residues 31-766 | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 4 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 experimental conditions | Resolution 2.43 Å R-free 0.295 |
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 3F8S | 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 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 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 construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
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 construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
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 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 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
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 construct Different oligomeric state Different ligand/ion 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 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 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 construct Different oligomeric state Different ligand/ion 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 construct Different oligomeric state Different ligand/ion 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 construct Different oligomeric state Different ligand/ion 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 construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
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 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 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 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 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 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 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 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 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 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 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 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
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 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 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 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 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 construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
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 construct Different oligomeric state Different ligand/ion 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 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 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 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 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 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 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 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 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 ligand/ion 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 construct Different oligomeric state Different ligand/ion 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 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 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 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
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 construct Different oligomeric state Different ligand/ion 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 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
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 construct Different oligomeric state Different ligand/ion 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 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 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
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 |
| 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 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 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 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 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 ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 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 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 ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 ligand/ion 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 ligand/ion 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 ligand/ion 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 ligand/ion 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 ligand/ion 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 ligand/ion 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 construct Different oligomeric state Different ligand/ion 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 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 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 construct Different oligomeric state Different ligand/ion 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 construct Different oligomeric state Different ligand/ion 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 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 construct Different oligomeric state Different ligand/ion 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 construct Different oligomeric state Different ligand/ion 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 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 construct Different oligomeric state Different ligand/ion 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 construct Different oligomeric state Different ligand/ion 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 construct Different oligomeric state Different ligand/ion 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 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 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 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 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
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 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 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 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 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 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 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 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 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 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 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
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 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 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 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 ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 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 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 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 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 construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
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 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 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 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 construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 construct Different mutation/modification 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
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 construct Different mutation/modification 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
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 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 construct Different ligand/ion 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 construct Different oligomeric state Different ligand/ion 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 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 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 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 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 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 construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
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 construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
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 construct Different oligomeric state Different ligand/ion 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 construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
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 construct Different oligomeric state Different ligand/ion 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 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 construct Different mutation/modification 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
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 construct Different mutation/modification 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
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 oligomeric state Different ligand/ion 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 construct Different oligomeric state Different ligand/ion Different experimental method 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 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 method 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 method 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 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
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 construct 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 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 |
| 9JMM Cryo-EM structure of the SE-PangolinCoV (MjHKU4r-CoV-1) RBD in complex with human DPP4 Deposited 2024-09-20 | Different construct 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 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 2.80 Å |
| 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 method 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 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 method 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 method 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 167 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 1–736； UniProt 31–766 Author chain B； PDBConstruct 1–736； UniProt 31–766 |
