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5ZXH
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BU of 5zxh by Molmil
The structure of MT189-tubulin complex
分子名称: 2-(6-fluoro-3-{[(4-methoxyphenyl)methyl]amino}imidazo[1,2-a]pyridin-2-yl)phenol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Li, Z.P, Wang, Y.X, Meng, T, Yang, J.L, Chen, Q.
登録日2018-05-21
公開日2019-05-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Structure of MT189-Tubulin Complex Provides Insights into Drug Design
Lett.Drug Des.Discovery, 2019
6DKJ
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BU of 6dkj by Molmil
human GIPR ECD and Fab complex
分子名称: 1,2-ETHANEDIOL, Fab heavy chain, Fab light chain, ...
著者Min, X, Wang, Z.
登録日2018-05-29
公開日2019-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Anti-obesity effects of GIPR antagonists alone and in combination with GLP-1R agonists in preclinical models.
Sci Transl Med, 10, 2018
6O9H
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BU of 6o9h by Molmil
Mouse ECD with Fab1
分子名称: Gastric inhibitory polypeptide receptor, Heavy chain, Light chain, ...
著者Min, X, Wang, Z.
登録日2019-03-13
公開日2020-01-22
最終更新日2020-04-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular mechanism of an antagonistic antibody against glucose-dependent insulinotropic polypeptide receptor.
Mabs, 12, 2020
6O9I
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BU of 6o9i by Molmil
Ternary complex of mouse ECD with Fab1 and Fab2
分子名称: 1,2-ETHANEDIOL, Fab 2 heavy chain, Fab1 heavy chain, ...
著者Min, X, Wang, Z.
登録日2019-03-13
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular mechanism of an antagonistic antibody against glucose-dependent insulinotropic polypeptide receptor.
Mabs, 12, 2020
3LON
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BU of 3lon by Molmil
HCV NS3-4a protease domain with ketoamide inhibitor narlaprevir
分子名称: (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, BETA-MERCAPTOETHANOL, Genome polyprotein, ...
著者Prongay, A.J.
登録日2010-02-04
公開日2011-01-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Candidate selection and preclinical evaluation culminating in the discovery of Narlaprevir (SCH 900518): A potent, selective and orally efficacious second generation HCV NS3 serine protease inhibitor
To be Published
8GK7
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BU of 8gk7 by Molmil
MsbA bound to cerastecin C
分子名称: 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid, Lipid A export ATP-binding/permease protein MsbA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Chen, Y, Klein, D.
登録日2023-03-17
公開日2024-04-24
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Cerastecins inhibit membrane lipooligosaccharide transport in drug-resistant Acinetobacter baumannii.
Nat Microbiol, 9, 2024
3QQU
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BU of 3qqu by Molmil
Cocrystal structure of unphosphorylated igf with pyrimidine 8
分子名称: Insulin-like growth factor 1 receptor, N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine
著者Huang, X.
登録日2011-02-16
公開日2011-04-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of 2,4-bis-arylamino-1,3-pyrimidines as insulin-like growth factor-1 receptor (IGF-1R) inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3NN6
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BU of 3nn6 by Molmil
Crystal structure of inhibitor-bound in active centre 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans
分子名称: (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, (2R,3S,4S)-5-({[(acetylcarbamoyl)amino]methyl}[(3S,4R)-6-amino-3,4-dimethylhexyl]amino)-2,3,4-trihydroxypentyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), 5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol, ...
著者Kachalova, G.S, Bartunik, H.D.
登録日2010-06-23
公開日2011-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Crystal structure analysis of free and substrate-bound 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans.
J.Mol.Biol., 396, 2010
3NK1
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BU of 3nk1 by Molmil
Complex of 6-hydroxy-L-nicotine oxidase with serotonin
分子名称: (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 6-hydroxy-L-nicotine oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Kachalova, G.S, Bartunik, H.D.
登録日2010-06-18
公開日2011-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure analysis of free and substrate-bound 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans.
J.Mol.Biol., 396, 2010
3NGC
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BU of 3ngc by Molmil
Complex of 6-hydroxy-L-nicotine oxidase with intermediate methylmyosmine product formed during catalytic turnover
分子名称: (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 5-(1-methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2-ol, 5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol, ...
著者Kachalova, G.S, Bartunik, H.D.
登録日2010-06-11
公開日2011-03-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure analysis of free and substrate-bound 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans.
J.Mol.Biol., 396, 2010
3NH3
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BU of 3nh3 by Molmil
Complex of 6-hydroxy-L-nicotine oxidase with final ketone product formed during catalytic turnover
分子名称: (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one, 5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol, ...
著者Kachalova, G.S, Bartunik, H.D.
登録日2010-06-14
公開日2011-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure analysis of free and substrate-bound 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans.
J.Mol.Biol., 396, 2010
3NHO
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BU of 3nho by Molmil
Complex of 6-hydroxy-L-nicotine oxidase with product bound at active site
分子名称: (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one, 6-hydroxy-L-nicotine oxidase, ...
著者Kachalova, G.S, Bartunik, H.D.
登録日2010-06-14
公開日2011-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structure analysis of free and substrate-bound 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans.
J.Mol.Biol., 396, 2010
3NK0
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BU of 3nk0 by Molmil
Complex of 6-hydroxy-L-nicotine oxidase with inhibitor bound at active site and turnover product at exit cavity
分子名称: (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one, 5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol, ...
著者Kachalova, G.S, Bartunik, H.D.
登録日2010-06-18
公開日2011-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure analysis of free and substrate-bound 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans.
J.Mol.Biol., 396, 2010
3NN0
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BU of 3nn0 by Molmil
Complex of 6-hydroxy-L-nicotine oxidase with nicotinamide
分子名称: (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 6-hydroxy-L-nicotine oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Kachalova, G.S, Bartunik, H.D.
登録日2010-06-23
公開日2011-06-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure analysis of free and substrate-bound 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans.
J.Mol.Biol., 396, 2010
3NK2
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BU of 3nk2 by Molmil
Complex of 6-hydroxy-L-nicotine oxidase with dopamine
分子名称: (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 6-hydroxy-L-nicotine oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Kachalova, G.S, Bartunik, H.D.
登録日2010-06-18
公開日2011-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure analysis of free and substrate-bound 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans.
J.Mol.Biol., 396, 2010
3K7M
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BU of 3k7m by Molmil
Crystal structure of 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans
分子名称: (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 6-hydroxy-L-nicotine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Bourenkov, G.P, Kachalova, G.S, Bartunik, H.D.
登録日2009-10-13
公開日2010-01-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure Analysis of Free and Substrate-Bound 6-Hydroxy-l-Nicotine Oxidase from Arthrobacter nicotinovorans.
J.Mol.Biol., 396, 2010
3K7Q
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BU of 3k7q by Molmil
Crystal structure of substrate-bound 6-hydroxy-L-nicotine oxidase from Arthrobacter nicotinovorans
分子名称: (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol, 6-hydroxy-L-nicotine oxidase, ...
著者Bourenkov, G.P, Kachalova, G.S, Bartunik, H.D.
登録日2009-10-13
公開日2010-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure Analysis of Free and Substrate-Bound 6-Hydroxy-l-Nicotine Oxidase from Arthrobacter nicotinovorans.
J.Mol.Biol., 396, 2010
3K7T
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BU of 3k7t by Molmil
Crystal structure of apo-form 6-hydroxy-L-nicotine oxidase, crystal form P3121
分子名称: (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 6-hydroxy-L-nicotine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Bourenkov, G.P, Kachalova, G.S, Bartunik, H.D.
登録日2009-10-13
公開日2010-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal Structure Analysis of Free and Substrate-Bound 6-Hydroxy-l-Nicotine Oxidase from Arthrobacter nicotinovorans.
J.Mol.Biol., 396, 2010
3NG7
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BU of 3ng7 by Molmil
Complex of dithionite-reduced 6-hydroxy-L-nicotine oxidase with substrate bound at active site and inhibitor at exit cavity
分子名称: (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol, 5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol, ...
著者Kachalova, G.S, Bartunik, H.D.
登録日2010-06-11
公開日2011-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystallographic snapshots of the complete reaction cycle of nicotine degradation by an amine oxidase of the monoamine oxidase (MAO) family
Proc.Natl.Acad.Sci.USA, 108, 2011

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