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2IIV
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BU of 2iiv by Molmil
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
3C45
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BU of 3c45 by Molmil
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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BU of 3c43 by Molmil
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
7KFN
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BU of 7kfn by Molmil
Structure of Human Adenosine Deaminase Acting on dsRNA (ADAR2) bound to dsRNA containing a 2'-deoxy Benner's Base Z opposite the edited base
分子名称: Double-stranded RNA-specific editase 1, Gli1 1W5 23mer RNA, Gli1 8AZ 23mer RNA, ...
著者Wilcox, X.E, Fisher, A.J, Beal, P.A.
登録日2020-10-14
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Rational Design of RNA Editing Guide Strands: Cytidine Analogs at the Orphan Position.
J.Am.Chem.Soc., 143, 2021
2OPH
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BU of 2oph by Molmil
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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BU of 2qoe by Molmil
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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BU of 2qt9 by Molmil
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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BU of 2qtb by Molmil
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
2K2T
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BU of 2k2t by Molmil
Epidermal growth Factor-like domain 2 from Toxoplasma gondii Microneme protein 6
分子名称: Micronemal protein 6
著者Sawmynaden, K, Saouros, S, Marchant, J, Simpson, P, Matthews, S.
登録日2008-04-11
公開日2009-02-24
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Structural insights into microneme protein assembly reveal a new mode of EGF domain recognition.
Embo Rep., 9, 2008
2HHA
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BU of 2hha by Molmil
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
2K2S
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BU of 2k2s by Molmil
structure of the MIC1-GLD/MIC6-EGF complex from Toxoplasma gondii
分子名称: Micronemal protein 1, Micronemal protein 6
著者Matthews, S.
登録日2008-04-11
公開日2009-02-24
最終更新日2011-07-27
実験手法SOLUTION NMR
主引用文献Structural insights into microneme protein assembly reveal a new mode of EGF domain recognition
Embo Rep., 9, 2008
2CSN
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BU of 2csn by Molmil
BINARY COMPLEX OF CASEIN KINASE-1 WITH CKI7
分子名称: CASEIN KINASE-1, N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE, SULFATE ION
著者Xu, R.-M, Cheng, X.
登録日1995-10-11
公開日1996-03-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for selectivity of the isoquinoline sulfonamide family of protein kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 93, 1996
2F00
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BU of 2f00 by Molmil
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
1CSN
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BU of 1csn by Molmil
BINARY COMPLEX OF CASEIN KINASE-1 WITH MGATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CASEIN KINASE-1, MAGNESIUM ION, ...
著者Xu, R.-M, Cheng, X.
登録日1995-04-25
公開日1995-07-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of casein kinase-1, a phosphate-directed protein kinase.
EMBO J., 14, 1995
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