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8z4t

MERS-CoV S ectodomain trimer in complex with receptor DPP4-750E

Method: ELECTRON MICROSCOPY Dmax: 263.1 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Spike glycoprotein

Middle East respiratory syndrome-related coronavirus (isolate United Kingdom/H123990006/2012)

UniProt K9N5Q8

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 5 PDB declaration: pentameric（5） Consistent with protein copy count Chain A； UniProt 19–1224 Chain B； UniProt 19–1224 Chain C； UniProt 19–1224 Not recorded Dipeptidyl peptidase 4 soluble form × 2 （P27487） ELECTRON MICROSCOPY cryo-EM buffer：pH 8 cryo-EM vitrification conditions：Cryogen ETHANE Resolution 3.93 Å

Other States of the Same Protein in the Database

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

Other PDB Difference from Current Entry 8Z4T Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
4XAK Crystal structure of potent neutralizing antibody m336 in complex with MERS Co-V RBD Deposited 2014-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 367–601（235 aa） Fragment：Receptor-binding domain (UNP residues 367-601)
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；20% PEG 2000MME, 100 mM HEPES, pH7.5
Resolution 2.45 Å R-free 0.249
4XAK Crystal structure of potent neutralizing antibody m336 in complex with MERS Co-V RBD Deposited 2014-12-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 367–601（235 aa） Fragment：Receptor-binding domain (UNP residues 367-601)
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；20% PEG 2000MME, 100 mM HEPES, pH7.5
Resolution 2.45 Å R-free 0.249
4ZPT Structure of MERS-Coronavirus Spike Receptor-binding Domain (England1 Strain) in Complex with Vaccine-Elicited Murine Neutralizing Antibody D12 (Crystal Form 1) Deposited 2015-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain R 381–588（208 aa） Fragment：receptor-binging domain, UNP residues 381-588
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1 M sodium acetate pH 5.5, 50 mM sodium chloride, 10 % PEG 400, 11 % PEG 8,000
Resolution 2.59 Å R-free 0.244
4ZPT Structure of MERS-Coronavirus Spike Receptor-binding Domain (England1 Strain) in Complex with Vaccine-Elicited Murine Neutralizing Antibody D12 (Crystal Form 1) Deposited 2015-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain S 381–588（208 aa） Fragment：receptor-binging domain, UNP residues 381-588
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1 M sodium acetate pH 5.5, 50 mM sodium chloride, 10 % PEG 400, 11 % PEG 8,000
Resolution 2.59 Å R-free 0.244
4ZPV Structure of MERS-Coronavirus Spike Receptor-binding Domain (England1 Strain) in Complex with Vaccine-Elicited Murine Neutralizing Antibody D12 (Crystal Form 2) Deposited 2015-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain R 381–588（208 aa） Fragment：UNP residues 381-588
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M sodium cacodylate pH 6.5, 80 mM magnesium acetate, 14.5 % PEG 8,000
Resolution 3.20 Å R-free 0.281
4ZPV Structure of MERS-Coronavirus Spike Receptor-binding Domain (England1 Strain) in Complex with Vaccine-Elicited Murine Neutralizing Antibody D12 (Crystal Form 2) Deposited 2015-05-08 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain S 381–588（208 aa） Fragment：UNP residues 381-588
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1 M sodium cacodylate pH 6.5, 80 mM magnesium acetate, 14.5 % PEG 8,000
Resolution 3.20 Å R-free 0.281
4ZPW Structure of unbound MERS-CoV spike receptor-binding domain (England1 strain). Deposited 2015-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain R 381–588（208 aa） Fragment：receptor-binding domain, UNP residues 381-588
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1 M Tris-HCl pH 8.5, 10 % MPD, 29 % PEG 1,500
Resolution 3.02 Å R-free 0.259
4ZPW Structure of unbound MERS-CoV spike receptor-binding domain (England1 strain). Deposited 2015-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain S 381–588（208 aa） Fragment：receptor-binding domain, UNP residues 381-588
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.1 M Tris-HCl pH 8.5, 10 % MPD, 29 % PEG 1,500
Resolution 3.02 Å R-free 0.259
6C6Y Crystal structure of Middle-East Respiratory Syndrome (MERS) coronavirus neutralizing antibody JC57-14 isolated from a vaccinated rhesus macaque in complex with MERS Receptor Binding Domain Deposited 2018-01-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain S 381–588（208 aa） Fragment：Receptor Binding Domain residues 381-588
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.5；293 K；90 mM CHES pH 9.5, 18% PEG 8,000
Resolution 3.32 Å R-free 0.267
6C6Y Crystal structure of Middle-East Respiratory Syndrome (MERS) coronavirus neutralizing antibody JC57-14 isolated from a vaccinated rhesus macaque in complex with MERS Receptor Binding Domain Deposited 2018-01-19 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain R 381–588（208 aa） Fragment：Receptor Binding Domain residues 381-588
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.5；293 K；90 mM CHES pH 9.5, 18% PEG 8,000
Resolution 3.32 Å R-free 0.267
7M55 B6 Fab fragment bound to the MERS-CoV spike stem helix peptide Deposited 2021-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1230–1244（15 aa） Fragment：residues 1230-1244 of the spike glycoprotein
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M Magnesium Chloride and 20% (w/v) PEG3350
Resolution 1.40 Å R-free 0.200
7X27 MERS-CoV spike complex Deposited 2022-02-25 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain G 19–1229（1211 aa）
Chain I 19–1229（1211 aa）
Chain J 19–1229（1211 aa）
Mutation：H1020Q, V1060P, L1061P Mutation：H1020Q, V1060P, L1061P Mutation：H1020Q, V1060P, L1061P No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.49 Å
8DGV Crystal structure of MERS-CoV spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC99.103 isolated from a vaccinated COVID-19 convalescent Deposited 2022-06-24 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1221–1247（27 aa） Fragment：stem helix domain, residues 1221-1247
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；295.15 K；19% (v/v) Isopropanol, 19% (w/v) PEG 4000, 5% (v/v) Glycerol, 0.095 M Sodium citrate pH 5.6
Resolution 2.30 Å R-free 0.249
8DGX Crystal structure of MERS-CoV spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC68.109 isolated from a vaccinated COVID-19 convalescent Deposited 2022-06-24 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1221–1247（27 aa） Fragment：Stem helix domain, residues 1221-1247
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293.15 K；0.17 M Sodium acetate, 25.5% (w/v) PEG 4000, 15% (v/v) Glycerol, 0.085 M Tris pH 8.5
Resolution 2.89 Å R-free 0.280
8DGX Crystal structure of MERS-CoV spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC68.109 isolated from a vaccinated COVID-19 convalescent Deposited 2022-06-24 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 1221–1247（27 aa） Fragment：Stem helix domain, residues 1221-1247
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293.15 K；0.17 M Sodium acetate, 25.5% (w/v) PEG 4000, 15% (v/v) Glycerol, 0.085 M Tris pH 8.5
Resolution 2.89 Å R-free 0.280
8XZ6 MERS-CoV S and radixin complex structure Deposited 2024-01-20 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 1334–1346（13 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；0.1 M Tris, pH 8.5, and 6% PEG 8000
Resolution 2.12 Å R-free 0.256
8XZ6 MERS-CoV S and radixin complex structure Deposited 2024-01-20 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 1334–1346（13 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；0.1 M Tris, pH 8.5, and 6% PEG 8000
Resolution 2.12 Å R-free 0.256
8XZ6 MERS-CoV S and radixin complex structure Deposited 2024-01-20 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1334–1346（13 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；0.1 M Tris, pH 8.5, and 6% PEG 8000
Resolution 2.12 Å R-free 0.256
8XZ6 MERS-CoV S and radixin complex structure Deposited 2024-01-20 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 1334–1346（13 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；0.1 M Tris, pH 8.5, and 6% PEG 8000
Resolution 2.12 Å R-free 0.256
8Z4O MERS-CoV post-fusion S ectodomain trimer Deposited 2024-04-17 Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 752–1290（539 aa）
Chain B 752–1290（539 aa）
Chain C 752–1290（539 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 16 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.79 Å
9IXV Cryo-EM structure of MERS-CoV S1-NTD bound with KNIH-88 Fab Deposited 2024-07-29 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–350（350 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.11 Å

12 other PDB entries and 21 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name SPIKE_MERS1
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–1206； UniProt 19–1224 Author chain B； PDBConstruct 1–1206； UniProt 19–1224 Author chain C； PDBConstruct 1–1206； UniProt 19–1224

Dipeptidyl peptidase 4 soluble form

Homo sapiens

UniProt P27487

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 5 PDB declaration: pentameric（5） Consistent with protein copy count Chain D； UniProt 39–766 Chain I； UniProt 39–766 Not recorded Spike glycoprotein × 3 （K9N5Q8） ELECTRON MICROSCOPY cryo-EM buffer：pH 8 cryo-EM vitrification conditions：Cryogen ETHANE Resolution 3.93 Å

Other States of the Same Protein in the Database

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

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

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

View Construct and Data Evidence
UniProt name DPP4_HUMAN
Isoform —
PDB entities 2
Chains and sequence ranges Author chain D； PDBConstruct 1–728； UniProt 39–766 Author chain I； PDBConstruct 1–728； UniProt 39–766

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

SAXS scattering curve SAXS Profile

SAXS profile for 8z4t

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 8z4t
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2. Structure Basics 2. Structure Basics

Entry ID entry_id8z4t
Deposition date deposition_date2024-04-17
Structure title titleMERS-CoV S ectodomain trimer in complex with receptor DPP4-750E
Keywords keywordsMERS-CoV, spike, DPP4, VIRAL PROTEIN; VIRAL PROTEIN
Experimental Method methodELECTRON MICROSCOPY
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier72.27 Å
Radius of gyration Rg (electron density) rg_electron72.48 Å
Forward intensity I(0) i03741610000.00
Molecular weight molecular_weight516400.0 kDa
Excluded volume excluded_volume643840 ų
Envelope volume envelope_volume1004000 ų
Hydration-shell volume shell_volume118690 ų
Envelope diameter envelope_diameter240.1 Å
Shell Rg shell_rg70.13 Å
Envelope Rg envelope_rg69.67 Å
Shape Rg shape_rg72.52 Å
Total Rg total_rg72.28 Å
Total atoms total_atoms36433
Residues n_residues4687
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax263.1 Å
Rg (real space) rg_real72.31 Å
Rg uncertainty (real space) rg_real_error3.01 Å
I(0) (real space) i0_real3.7420e+09
I(0) uncertainty (real space) i0_real_error7.6100e+07
Rg (reciprocal space) rg_reciprocal71.96 Å
I(0) (reciprocal space) i0_reciprocal3739000000.0000
Solution quality estimate total_estimate0.7892
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary95.7 Å
Skewness Skewness skewness0.224
Kurtosis Kurtosis kurtosis-0.574
Angular range angular_range— – 0.1100 Å−1
Current regularization parameter α current_alpha0.0004
Highest regularization parameter α highest_alpha210400000.0000
Real-space data points n_real_points23
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.752; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (2)

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8. Citations (1)

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9. Files and Curves (10)