7YJC
 
 | | Crystal structure of Human HPSE1 in complex with inhibitor | | 分子名称: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit | | 著者 | Mima, M, Fujimoto, N, Imai, Y. | | 登録日 | 2022-07-19 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor.
Bioorg.Med.Chem.Lett., 79, 2022
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7TRB
 | | CRYSTAL STRUCTURE OF FARNESOID X-ACTIVATED RECEPTOR COMPLEXED WITH COMPOUND-32 AKA (1S,3S)-N-({4-[5-(2-FLUOROPR OPAN-2-YL)-1,2,4-OXADIAZOL-3-YL]BICYCLO[2.2.2]OCTAN-1-YL}M ETHYL)-3-HYDROXY-N-[4'-(2-HYDROXYPROPAN-2-YL)-[1,1'-BIPHEN YL]-3-YL]-3-(TRIFLUOROMETHYL)CYCLOBUTANE-1-CARBOXAMIDE | | 分子名称: | (1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide, Bile acid receptor, co-activator | | 著者 | Khan, J.A, Ruzanov, M. | | 登録日 | 2022-01-28 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Discovery of BMS-986339, a Pharmacologically Differentiated Farnesoid X Receptor Agonist for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022
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7RC9
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1CC0
 | | CRYSTAL STRUCTURE OF THE RHOA.GDP-RHOGDI COMPLEX | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, rho GDP dissociation inhibitor alpha, ... | | 著者 | Longenecker, K.L, Read, P, Derewenda, U, Dauter, Z, Garrard, S, Walker, L, Somlyo, A.V, Somlyo, A.P, Nakamoto, R.K, Derewenda, Z.S. | | 登録日 | 1999-03-03 | | 公開日 | 2000-01-07 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (5 Å) | | 主引用文献 | How RhoGDI binds Rho.
Acta Crystallogr.,Sect.D, 55, 1999
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4KNR
 | | Hin GlmU bound to WG188 | | 分子名称: | Bifunctional protein GlmU, MAGNESIUM ION, N-{4-[(2-benzyl-7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide, ... | | 著者 | Doig, P, Kazmirski, S.L, Boriack-Sjodin, P.A. | | 登録日 | 2013-05-10 | | 公開日 | 2014-10-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.
Bioorg.Med.Chem., 22, 2014
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4KPZ
 | | Hin GlmU bound to a small molecule fragment | | 分子名称: | 1-(3-nitrophenyl)dihydropyrimidine-2,4(1H,3H)-dione, Bifunctional protein GlmU, MAGNESIUM ION, ... | | 著者 | Doig, P, Kazmirski, S.L, Boriack-Sjodin, P.A. | | 登録日 | 2013-05-14 | | 公開日 | 2014-10-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.
Bioorg.Med.Chem., 22, 2014
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4KNX
 | | Hin GlmU Bound to WG176 | | 分子名称: | Bifunctional protein GlmU, MAGNESIUM ION, SULFATE ION, ... | | 著者 | Doig, P, Kazmirski, S.L, Boriack-Sjodin, P.A. | | 登録日 | 2013-05-10 | | 公開日 | 2014-10-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.
Bioorg.Med.Chem., 22, 2014
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4KQL
 | | Hin GlmU bound to WG578 | | 分子名称: | Bifunctional protein GlmU, MAGNESIUM ION, N-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-methoxybenzoyl]amino}phenyl)pyridine-2-carboxamide, ... | | 著者 | Doig, P, Kazmirski, S.L, Boriack-Sjodin, P.A. | | 登録日 | 2013-05-15 | | 公開日 | 2014-10-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.
Bioorg.Med.Chem., 22, 2014
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4KPX
 | | Hin GlmU bound to WG766 | | 分子名称: | Bifunctional protein GlmU, MAGNESIUM ION, N-{4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl}pyridine-2-carboxamide, ... | | 著者 | Doig, P, Kazmirski, S.L, Boriack-Sjodin, P.A. | | 登録日 | 2013-05-14 | | 公開日 | 2014-10-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.
Bioorg.Med.Chem., 22, 2014
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2ZJV
 | | Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein (Ls-AChBP) Complexed with Clothianidin | | 分子名称: | 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine, Acetylcholine-binding protein | | 著者 | Okajima, T, Ihara, M, Yamashita, A, Oda, T, Morimoto, T, Matsuda, K. | | 登録日 | 2008-03-10 | | 公開日 | 2008-04-08 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structures of Lymnaea stagnalis AChBP in complex with neonicotinoid insecticides imidacloprid and clothianidin
Invert.Neurosci., 8, 2008
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2ZJU
 | | Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein (Ls-AChBP) Complexed with Imidacloprid | | 分子名称: | (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine, Acetylcholine-binding protein | | 著者 | Okajima, T, Ihara, M, Yamashita, A, Oda, T, Morimoto, T, Matsuda, K. | | 登録日 | 2008-03-10 | | 公開日 | 2008-04-08 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Crystal structures of Lymnaea stagnalis AChBP in complex with neonicotinoid insecticides imidacloprid and clothianidin
Invert.Neurosci., 8, 2008
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1JMX
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1JMZ
 | | crystal structure of a quinohemoprotein amine dehydrogenase from pseudomonas putida with inhibitor | | 分子名称: | Amine Dehydrogenase, HEME C, NICKEL (II) ION, ... | | 著者 | Satoh, A, Miyahara, I, Hirotsu, K. | | 登録日 | 2001-07-20 | | 公開日 | 2002-01-16 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of quinohemoprotein amine dehydrogenase from Pseudomonas putida. Identification of a novel quinone cofactor encaged by multiple thioether cross-bridges.
J.Biol.Chem., 277, 2002
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1Z3A
 | | Crystal structure of tRNA adenosine deaminase TadA from Escherichia coli | | 分子名称: | ZINC ION, tRNA-specific adenosine deaminase | | 著者 | Malashkevich, V, Kim, J, Lisbin, M, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2005-03-10 | | 公開日 | 2006-02-21 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Structural and kinetic characterization of Escherichia coli TadA, the wobble-specific tRNA deaminase.
Biochemistry, 45, 2006
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7CTQ
 | | Peptidyl tryptophan dihydroxylase QhpG essential for tryptophylquinone cofactor biogenesis | | 分子名称: | (2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-6-(cyclohexylmethoxy)-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, FLAVIN-ADENINE DINUCLEOTIDE, HEXANE-1,6-DIOL, ... | | 著者 | Oozeki, T, Nakai, T, Okajima, T. | | 登録日 | 2020-08-20 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.978 Å) | | 主引用文献 | Functional and structural characterization of a flavoprotein monooxygenase essential for biogenesis of tryptophylquinone cofactor.
Nat Commun, 12, 2021
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3WK3
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3WJY
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3WK1
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3WJZ
 | | Orotidine 5'-monophosphate decarboxylase D75N mutant from M. thermoautotrophicus complexed with 6-amino-UMP | | 分子名称: | 6-AMINOURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | | 著者 | Fujihashi, M, Pai, E.F, Miki, K. | | 登録日 | 2013-10-17 | | 公開日 | 2013-12-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Substrate distortion contributes to the catalysis of orotidine 5'-monophosphate decarboxylase.
J.Am.Chem.Soc., 135, 2013
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3WK0
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3WK2
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2E2U
 | | Substrate Schiff-base analogue of copper amine oxidase from Arthrobacter globiformis formed with 4-hydroxybenzylhydrazine | | 分子名称: | COPPER (II) ION, Phenylethylamine oxidase | | 著者 | Murakawa, T, Okajima, T, Taki, M, Yamamoto, Y, Hayashi, H, Tanizawa, K. | | 登録日 | 2006-11-17 | | 公開日 | 2007-11-20 | | 最終更新日 | 2013-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Catalytic Regulation Conducted by the Substrate Schiff Base and Conserved Aspartic Acid Residue in Bacterial Copper Amine Oxidase Reaction
To be Published
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