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3KX1
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BU of 3kx1 by Molmil
Cathepsin K in complex with a selective 2-cyano-pyrimidine inhibitor
分子名称: 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile, Cathepsin K, SULFATE ION
著者Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
登録日2009-12-02
公開日2010-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3KW9
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BU of 3kw9 by Molmil
X-ray structure of Cathepsin K covalently bound to a triazine ligand
分子名称: 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile, Cathepsin K, trifluoroacetic acid
著者Uitdehaag, J.C.M, van Zeeland, M.
登録日2009-12-01
公開日2010-03-02
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KWZ
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BU of 3kwz by Molmil
Cathepsin K in complex with a non-selective 2-cyano-pyrimidine inhibitor
分子名称: 4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile, Cathepsin K, SULFATE ION
著者Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
登録日2009-12-02
公開日2010-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3M6F
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BU of 3m6f by Molmil
CD11A I-domain complexed with 6-((5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7- TRIAZASPIRO[4.4]NON-7-YL)NICOTINIC ACID
分子名称: 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, NITRATE ION
著者Sheriff, S.
登録日2010-03-15
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521).
J.Med.Chem., 53, 2010
1TRH
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BU of 1trh by Molmil
TWO CONFORMATIONAL STATES OF CANDIDA RUGOSA LIPASE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, LIPASE
著者Grochulski, P, Cygler, M.
登録日1993-11-18
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Two conformational states of Candida rugosa lipase.
Protein Sci., 3, 1994
7R27
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BU of 7r27 by Molmil
Crystal structure of the L. plantarum D-alanine ligase DltA
分子名称: ADENOSINE MONOPHOSPHATE, D-ALANINE, D-alanine--D-alanyl carrier protein ligase
著者Nikolopoulos, N, Ravaud, S, Simorre, J.P, Grangeasse, C.
登録日2022-02-04
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献DltC acts as an interaction hub for AcpS, DltA and DltB in the teichoic acid D-alanylation pathway of Lactiplantibacillus plantarum.
Sci Rep, 12, 2022
7R49
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BU of 7r49 by Molmil
Crystal structure of the L. plantarum acyl carrier protein synthase (AcpS)in complex with D-alanyl carrier protein (DltC1)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4'-PHOSPHOPANTETHEINE, D-alanyl carrier protein 1, ...
著者Nikolopoulos, N, Ravaud, S, Simorre, J.P, Grangeasse, C.
登録日2022-02-08
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献DltC acts as an interaction hub for AcpS, DltA and DltB in the teichoic acid D-alanylation pathway of Lactiplantibacillus plantarum.
Sci Rep, 12, 2022
6GMZ
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BU of 6gmz by Molmil
Staphylopine dehydrogenase in complex with Histidine tag and citrate
分子名称: ALA-HIS-HIS-ALA, AMMONIUM ION, CITRIC ACID, ...
著者Hajjar, C, Arnoux, P.
登録日2018-05-29
公開日2019-04-10
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Control by Metals of Staphylopine Dehydrogenase Activity during Metallophore Biosynthesis.
J.Am.Chem.Soc., 141, 2019
6H3F
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BU of 6h3f by Molmil
Staphylopine dehydrogenase in complex with staphylopine and NADP+
分子名称: (2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Hajjar, C, Arnoux, P.
登録日2018-07-18
公開日2019-04-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Control by Metals of Staphylopine Dehydrogenase Activity during Metallophore Biosynthesis.
J.Am.Chem.Soc., 141, 2019
6H3D
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BU of 6h3d by Molmil
Staphylopine dehydrogenase in complex with xNA
分子名称: D-HISTIDINE, DUF2338 domain-containing protein, GLYCEROL, ...
著者Hajjar, C, Arnoux, P.
登録日2018-07-18
公開日2019-04-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Control by Metals of Staphylopine Dehydrogenase Activity during Metallophore Biosynthesis.
J.Am.Chem.Soc., 141, 2019
6H31
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BU of 6h31 by Molmil
Staphylopine dehydrogenase in the apo state
分子名称: DUF2338 domain-containing protein, GLYCEROL, NONAETHYLENE GLYCOL
著者Hajjar, C, Arnoux, P.
登録日2018-07-17
公開日2019-04-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Control by Metals of Staphylopine Dehydrogenase Activity during Metallophore Biosynthesis.
J.Am.Chem.Soc., 141, 2019
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