PDB: 183105 件ウェブページステータス検索Chemie searchBIRD

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1YQN	E. coli ispF double mutant 分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-DIPHOSPHATE, GERANYL DIPHOSPHATE, ... 著者 Sgraja, T, Kemp, L.E, Ramsden, N, Hunter, W.N. 登録日 2005-02-02 公開日 2005-07-12 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (3.11 Å) 主引用文献 A double mutation of Escherichia coli2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase disrupts six hydrogen bonds with, yet fails to prevent binding of, an isoprenoid diphosphate. Acta Crystallogr.,Sect.F, 61, 2005
4N94	E. coli sliding clamp in complex with 3,4-difluorobenzamide 分子名称: 1,2-ETHANEDIOL, 3,4-difluorobenzamide, CALCIUM ION, ... 著者 Yin, Z, Oakley, A.J. 登録日 2013-10-19 公開日 2013-11-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
4N98	E. coli sliding clamp in complex with 4'-fluorobiphenyl-4-carboxylic acid 分子名称: 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID, CALCIUM ION, CHLORIDE ION, ... 著者 Yin, Z, Oakley, A.J. 登録日 2013-10-19 公開日 2013-11-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
4N9A	E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid 分子名称: (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... 著者 Yin, Z, Oakley, A.J. 登録日 2013-10-19 公開日 2013-11-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
4N97	E. coli sliding clamp in complex with 5-nitroindole 分子名称: 5-nitro-1H-indole, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... 著者 Yin, Z, Oakley, A.J. 登録日 2013-10-19 公開日 2013-11-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
4IY7	crystal structure of cystathionine gamma lyase (XometC) from Xanthomonas oryzae pv. oryzae in complex with E-site serine, A-site external aldimine structure with serine and A-site external aldimine structure with aminoacrylate intermediates 分子名称: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, Cystathionine gamma-lyase-like protein, ... 著者 Ngo, H.P.T, Kim, J.K, Kang, L.W. 登録日 2013-01-28 公開日 2014-01-29 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 PLP undergoes conformational changes during the course of an enzymatic reaction. Acta Crystallogr.,Sect.D, 70, 2014
4N99	E. coli sliding clamp in complex with 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid 分子名称: 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... 著者 Yin, Z, Oakley, A.J. 登録日 2013-10-19 公開日 2013-11-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
4N95	E. coli sliding clamp in complex with 5-chloroindoline-2,3-dione 分子名称: 5-chloro-1H-indole-2,3-dione, CALCIUM ION, CHLORIDE ION, ... 著者 Yin, Z, Oakley, A.J. 登録日 2013-10-19 公開日 2013-11-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
4N96	E. coli sliding clamp in complex with 6-nitroindazole 分子名称: 6-NITROINDAZOLE, CALCIUM ION, CHLORIDE ION, ... 著者 Yin, Z, Oakley, A.J. 登録日 2013-10-19 公開日 2013-11-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
4K3M	E.coli sliding clamp in complex with AcALDLF peptide 分子名称: ALDLF, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... 著者 Yin, Z, Oakley, A.J. 登録日 2013-04-11 公開日 2013-05-01 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp J.Med.Chem., 56, 2013
4K3P	E. coli sliding clamp in complex with AcQLALF 分子名称: (ACE)QLALF, 1,2-ETHANEDIOL, CALCIUM ION, ... 著者 Yin, Z, Oakley, A.J. 登録日 2013-04-11 公開日 2013-05-01 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp J.Med.Chem., 56, 2013
3A7W	Crystal Structure of Trypsin complexed with (E)-4-((tetrahydro-2H-pyran-2-yloxyimino)methyl)benzimidamide (soaking 4hours) 分子名称: (E)-4-((tetrahydro-2H-pyran-2-yloxyimino)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ... 著者 Yamane, J, Yao, M, Tanaka, I. 登録日 2009-10-05 公開日 2010-09-29 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 In-Crystal Chemical Ligation for Drug Discovery To be Published
3A88	Crystal Structure of Trypsin complexed with (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide (soaking 30 minutes) 分子名称: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ... 著者 Yamane, J, Yao, M, Tanaka, I. 登録日 2009-10-05 公開日 2010-09-29 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 In-Crystal Chemical Ligation for Drug Discovery To be Published
3A87	Crystal Structure of Trypsin complexed with (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide (soaking 5 minutes) 分子名称: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ... 著者 Yamane, J, Yao, M, Tanaka, I. 登録日 2009-10-05 公開日 2010-09-29 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 In-Crystal Chemical Ligation for Drug Discovery To be Published
7DPS	E. coli GyrB ATPase domain in complex with Methyl 4-hydroxycinnamate 分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... 著者 Yu, Y, Zhou, H. 登録日 2020-12-21 公開日 2021-10-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
3A83	Crystal Structure of Trypsin complexed with pre-synthesized (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide 分子名称: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ... 著者 Yamane, J, Yao, M, Tanaka, I. 登録日 2009-10-05 公開日 2010-09-29 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 In-Crystal Chemical Ligation for Drug Discovery To be Published
3A82	Crystal Structure of Trypsin complexed with pre-synthesized (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid 分子名称: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ... 著者 Yamane, J, Yao, M, Tanaka, I. 登録日 2009-10-05 公開日 2010-09-29 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 In-Crystal Chemical Ligation for Drug Discovery To be Published
3A8D	Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (under aniline-free condition) 分子名称: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ... 著者 Yamane, J, Yao, M, Tanaka, I. 登録日 2009-10-05 公開日 2010-09-29 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 In-Crystal Chemical Ligation for Drug Discovery To be Published
3A85	Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 15 seconds) 分子名称: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ... 著者 Yamane, J, Yao, M, Tanaka, I. 登録日 2009-10-05 公開日 2010-09-29 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 In-Crystal Chemical Ligation for Drug Discovery To be Published
3A7X	Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 45seconds) 分子名称: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ... 著者 Yamane, J, Yao, M, Tanaka, I. 登録日 2009-10-05 公開日 2010-09-29 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 In-Crystal Chemical Ligation for Drug Discovery To be Published
3A86	Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 30 seconds) 分子名称: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ... 著者 Yamane, J, Yao, M, Tanaka, I. 登録日 2009-10-05 公開日 2010-09-29 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 In-Crystal Chemical Ligation for Drug Discovery To be Published
3A81	Crystal Structure of Trypsin complexed with (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide (soaking 8 hours) 分子名称: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ... 著者 Yamane, J, Yao, M, Tanaka, I. 登録日 2009-10-05 公開日 2010-09-29 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 In-Crystal Chemical Ligation for Drug Discovery To be Published
6HJK	Crystal Structure of Aurora-A L210C catalytic domain in complex with ASDO2 分子名称: (~{E})-~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide, Aurora kinase A, CHLORIDE ION, ... 著者 Bayliss, R, McIntyre, P.J. 登録日 2018-09-04 公開日 2018-10-03 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Type II Kinase Inhibitors Targeting Cys-Gatekeeper Kinases Display Orthogonality with Wild Type and Ala/Gly-Gatekeeper Kinases. ACS Chem. Biol., 13, 2018
1KMK	E. coli NifS/CsdB protein at 2.20A with the cysteine perselenide intermediate (residue CSZ). 分子名称: PYRIDOXAL-5'-PHOSPHATE, SELENOCYSTEINE, SELENOCYSTEINE LYASE 著者 Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) 登録日 2001-12-16 公開日 2001-12-21 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Analysis of the E. coli NifS CsdB protein at 2.0 A reveals the structural basis for perselenide and persulfide intermediate formation. J.Mol.Biol., 315, 2002
1KMJ	E. coli NifS/CsdB protein at 2.0A with the cysteine persulfide intermediate (residue CSS). 分子名称: PYRIDOXAL-5'-PHOSPHATE, Selenocysteine lyase 著者 Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) 登録日 2001-12-16 公開日 2001-12-21 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Analysis of the E. coli NifS CsdB protein at 2.0 A reveals the structural basis for perselenide and persulfide intermediate formation. J.Mol.Biol., 315, 2002

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