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1X70
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BU of 1x70 by Molmil
HUMAN DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH A BETA AMINO ACID INHIBITOR
分子名称: (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-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kim, D, Wang, L, Beconi, M, Eiermann, G.J, Fisher, M.H, He, H, Hickey, G.J, Leiting, B, Lyons, K.
登録日2004-08-12
公開日2005-01-18
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献(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-amine: A Potent, Orally Active Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes
J.Med.Chem., 48, 2005
2LFB
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BU of 2lfb by Molmil
HOMEODOMAIN FROM RAT LIVER LFB1/HNF1 TRANSCRIPTION FACTOR, NMR, 20 STRUCTURES
分子名称: LFB1/HNF1 TRANSCRIPTION FACTOR
著者Schott, O, Billeter, M, Leiting, B, Wider, G, Wuthrich, K.
登録日1996-12-12
公開日1997-03-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The NMR solution structure of the non-classical homeodomain from the rat liver LFB1/HNF1 transcription factor.
J.Mol.Biol., 267, 1997
1BLJ
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BU of 1blj by Molmil
NMR ENSEMBLE OF BLK SH2 DOMAIN, 20 STRUCTURES
分子名称: P55 BLK PROTEIN TYROSINE KINASE
著者Metzler, W.J, Leiting, B, Pryor, K, Mueller, L, Farmer II, B.T.
登録日1996-03-26
公開日1997-03-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The three-dimensional solution structure of the SH2 domain from p55blk kinase.
Biochemistry, 35, 1996
1BLK
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BU of 1blk by Molmil
NMR ENSEMBLE OF BLK SH2 DOMAIN USING CHEMICAL SHIFT REFINEMENT, 20 STRUCTURES
分子名称: P55 BLK PROTEIN TYROSINE KINASE
著者Metzler, W.J, Leiting, B, Pryor, K, Mueller, L, Farmer II, B.T.
登録日1996-03-26
公開日1997-03-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The three-dimensional solution structure of the SH2 domain from p55blk kinase.
Biochemistry, 35, 1996
2WUH
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BU of 2wuh by Molmil
Crystal structure of the DDR2 discoidin domain bound to a triple- helical collagen peptide
分子名称: COLLAGEN PEPTIDE, DISCOIDIN DOMAIN RECEPTOR 2
著者Carafoli, F, Bihan, D, Stathopoulos, S, Konitsiotis, A.D, Kvansakul, M, Farndale, R.W, Leitinger, B, Hohenester, E.
登録日2009-10-05
公開日2009-12-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystallographic Insight Into Collagen Recognition by Discoidin Domain Receptor 2
Structure, 17, 2009
6Y23
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BU of 6y23 by Molmil
DDR1 kinase autoinhibited by its juxtamembrane region
分子名称: Epithelial discoidin domain-containing receptor 1, SULFATE ION
著者Sammon, D, Hohenester, E, Leitinger, B.
登録日2020-02-14
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Two-step release of kinase autoinhibition in discoidin domain receptor 1.
Proc.Natl.Acad.Sci.USA, 117, 2020
4AG4
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Crystal structure of a DDR1-Fab complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1, ...
著者Carafoli, F, Mayer, M.C, Shiraishi, K, Pecheva, M.A, Chan, L.Y, Nan, R, Leitinger, B, Hohenester, E.
登録日2012-01-24
公開日2012-04-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the Discoidin Domain Receptor 1 Extracellular Region Bound to an Inhibitory Fab Fragment Reveals Features Important for Signaling.
Structure, 20, 2012
6Q43
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Atomic resolution crystal structure of an ABA collagen heterotrimer
分子名称: GLYCEROL, Leading Chain of the ABA collagen heterotrimer, Middle Chain of the ABA collagen heterotrimer, ...
著者Jalan, A.A, Hartgerink, J.D, Brear, P, Leitinger, B, Farndale, R.W.
登録日2018-12-05
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Atomic resolution crystal structure of an AAB collagen heterotrimer
Nat.Chem.Biol., 2019
6Q3P
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Atomic resolution crystal structure of an AAB collagen heterotrimer
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Leading Chain of the AAB Collagen Heterotrimer, ...
著者Jalan, A.A, Hartgerink, J.D, Brear, P, Leitinger, B, Farndale, R.W.
登録日2018-12-04
公開日2019-12-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Atomic resolution crystal structure of an AAB collagen heterotrimer
Nat.Chem.Biol., 2019
6Q41
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Atomic resolution crystal structure of a BAA collagen heterotrimer
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Leading chain of the BAA collagen heterotrimer, ...
著者Jalan, A.A, Hartgerink, J.D, Brear, P, Leitinger, B, Farndale, R.W.
登録日2018-12-05
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Atomic resolution crystal structure of an AAB collagen heterotrimer
Nat.Chem.Biol., 2019
3D4L
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BU of 3d4l by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with a novel inhibitor
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G.
登録日2008-05-14
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of new binding elements in DPP-4 inhibition and their applications in novel DPP-4 inhibitor design.
Bioorg.Med.Chem.Lett., 18, 2008
2FJP
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Human dipeptidyl peptidase IV/CD26 in complex with an inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ...
著者Scapin, G, Patel, S.B, Becker, J.W.
登録日2006-01-03
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献(2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]- pyridin-6-ylphenyl)butanamide: a selective alpha-amino amide dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.
J.Med.Chem., 49, 2006
1GG4
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BU of 1gg4 by Molmil
CRYSTAL STRUCTURE OF ESCHERICHIA COLI UDPMURNAC-TRIPEPTIDE D-ALANYL-D-ALANINE-ADDING ENZYME (MURF) AT 2.3 ANGSTROM RESOLUTION
分子名称: UDP-N-ACETYLMURAMOYLALANYL-D-GLUTAMYL-2,6-DIAMINOPIMELATE-D-ALANYL-D-ALANYL LIGASE
著者Yan, Y, Munshi, S, Chen, Z.
登録日2000-07-12
公開日2000-12-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Escherichia coli UDPMurNAc-tripeptide d-alanyl-d-alanine-adding enzyme (MurF) at 2.3 A resolution.
J.Mol.Biol., 304, 2000
3C45
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Human dipeptidyl peptidase IV/CD26 in complex with a fluoroolefin inhibitor
分子名称: (2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Edmondson, S.D, Weber, A.E.
登録日2008-01-29
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3C43
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Human dipeptidyl peptidase IV/CD26 in complex with a flouroolefin inhibitor
分子名称: (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-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Edmondson, S.D, Weber, A.E.
登録日2008-01-29
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
2IIT
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Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor
分子名称: (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Biftu, T, Weber, A.E.
登録日2006-09-28
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
2IIV
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Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor
分子名称: (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Weber, A.E, Biftu, T.
登録日2006-09-28
公開日2006-11-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes
Bioorg.Med.Chem.Lett., 17, 2007
2OPH
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Human dipeptidyl peptidase IV in complex with an alpha amino acid inhibitor
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Weber, A.E, Duffy, J.L.
登録日2007-01-29
公開日2007-05-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献4-Aminophenylalanine and 4-aminocyclohexylalanine derivatives as potent, selective, and orally bioavailable inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 17, 2007
2QOE
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Human Dipeptidyl Peptidase IV in complex with a Triazolopiperazine-based beta amino acid Inhibitor
分子名称: (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-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G.
登録日2007-07-20
公開日2007-11-06
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, synthesis, and biological evaluation of triazolopiperazine-based beta-amino amides as potent, orally active dipeptidyl peptidase IV (DPP-4) inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2QT9
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Human dipeptidyl peptidase iv/cd26 in complex with a 4-aryl cyclohexylalanine inhibitor
分子名称: (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-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G.
登録日2007-08-01
公開日2007-11-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献4-Arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 17, 2007
2QTB
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Human dipeptidyl peptidase iv/cd26 in complex with a 4-aryl cyclohexylalanine inhibitor
分子名称: (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-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G.
登録日2007-08-01
公開日2007-11-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献4-Arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 17, 2007
2HHA
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The structure of DPP4 in complex with an oxadiazole inhibitor
分子名称: (2S,3S)-3-{3-[4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-1-OXO-1-PYRROLIDIN-1-YLBUTAN-2-AMINE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G.
登録日2006-06-28
公開日2006-09-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of potent, selective, and orally bioavailable oxadiazole-based dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2F00
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Escherichia coli MurC
分子名称: MAGNESIUM ION, UDP-N-acetylmuramate--L-alanine ligase
著者Deva, T, Baker, E.N, Squire, C.J, Smith, C.A.
登録日2005-11-10
公開日2006-10-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of Escherichia coliUDP-N-acetylmuramoyl:L-alanine ligase (MurC).
Acta Crystallogr.,Sect.D, 62, 2006

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