PDB: 46984 件ウェブページステータス検索Chemie searchBIRD

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2A7U	NMR solution structure of the E.coli F-ATPase delta subunit N-terminal domain in complex with alpha subunit N-terminal 22 residues 分子名称: ATP synthase alpha chain, ATP synthase delta chain 著者 Wilkens, S, Borchardt, D, Weber, J, Senior, A.E. 登録日 2005-07-06 公開日 2005-10-11 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 Structural Characterization of the Interaction of the delta and alpha Subunits of the Escherichia coli F(1)F(0)-ATP Synthase by NMR Spectroscopy Biochemistry, 44, 2005
6BZ5	Structure and mechanism of salicylate hydroxylase from Pseudomonas putida G7 分子名称: 1,2-ETHANEDIOL, GLYCEROL, IODIDE ION, ... 著者 Nagem, R.A.P, Costa, D.M.A. 登録日 2017-12-22 公開日 2018-12-26 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.006 Å) 主引用文献 Catalytic mechanism for the conversion of salicylate into catechol by the flavin-dependent monooxygenase salicylate hydroxylase. Int.J.Biol.Macromol., 129, 2019
2RG5	Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11B 分子名称: Mitogen-activated protein kinase 14, N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide 著者 Sack, J.S. 登録日 2007-10-02 公開日 2008-01-15 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors J.Med.Chem., 51, 2008
2ECF	Crystal Structure of Dipeptidyl Aminopeptidase IV from Stenotrophomonas maltophilia 分子名称: Dipeptidyl peptidase IV 著者 Nakajima, Y, Ito, K, Yoshimoto, T. 登録日 2007-02-13 公開日 2008-02-26 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Dipeptidyl aminopeptidase IV from Stenotrophomonas maltophilia exhibits activity against a substrate containing a 4-hydroxyproline residue J.Bacteriol., 190, 2008
2CMK	CYTIDINE MONOPHOSPHATE KINASE IN COMPLEX WITH CYTIDINE-DI-PHOSPHATE 分子名称: CYTIDINE-5'-DIPHOSPHATE, PROTEIN (CYTIDINE MONOPHOSPHATE KINASE), SULFATE ION 著者 Golinelli-Pimpaneau, B, Briozzo, P. 登録日 1998-09-19 公開日 1999-09-20 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structures of escherichia coli CMP kinase alone and in complex with CDP: a new fold of the nucleoside monophosphate binding domain and insights into cytosine nucleotide specificity. Structure, 6, 1998
2CYD	Crystal structure of Lithium bound rotor ring of the V-ATPase from Enterococcus hirae 分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, LITHIUM ION, UNDECYL-MALTOSIDE, ... 著者 Murata, T, Yamato, I, Kakinuma, Y, Shirouzu, M, Walker, J.E, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2005-07-06 公開日 2006-06-27 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Crystal structure of Lithium bound rotor ring of the V-ATPase from Enterococcus hirae To be Published
4I06	Crystal structure of human Arginase-2 complexed with inhibitor 14 分子名称: Arginase-2, mitochondrial, BENZAMIDINE, ... 著者 Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A. 登録日 2012-11-16 公開日 2013-03-20 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 (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury. J.Med.Chem., 56, 2013
1WBT	Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. 分子名称: 3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE, MITOGEN-ACTIVATED PROTEIN KINASE 14 著者 Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. 登録日 2004-11-05 公開日 2005-11-03 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation. J.Med.Chem., 48, 2005
5UEC	Crystal Structure of CYP2B6 (Y226H/K262R) in complex with myrtenyl bromide. 分子名称: (1S,5R)-2-(bromomethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... 著者 Shah, M.B, Halpert, J.R. 登録日 2016-12-30 公開日 2017-04-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Halogen-pi Interactions in the Cytochrome P450 Active Site: Structural Insights into Human CYP2B6 Substrate Selectivity. ACS Chem. Biol., 12, 2017
5U45	Human PPARdelta ligand-binding domain in complexed with specific agonist 14 分子名称: 6-(2-{[cyclopropyl(3'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor delta, ... 著者 Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P. 登録日 2016-12-03 公開日 2017-03-22 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4EBB	Structure of DPP2 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 2, ZINC ION 著者 Shewchuk, L.M, Hassell, A.H, Sweitzer, S.M, Sweitzer, T.D, McDevitt, P.J, Kennedy-Wilson, K.M, Johanson, K.O. 登録日 2012-03-23 公開日 2012-09-19 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structures of Human DPP7 Reveal the Molecular Basis of Specific Inhibition and the Architectural Diversity of Proline-Specific Peptidases. Plos One, 7, 2012
1WFY	Solution structure of the Ras-binding domain of mouse RGS14 分子名称: regulator of G-protein signaling 14; rap1/rap2 interacting protein 著者 Nakanishi, T, Tochio, N, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2004-05-27 公開日 2004-11-27 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 Solution structure of the Ras-binding domain of mouse RGS14 To be Published
1WVU	Crystal structure of chitinase C from Streptomyces griseus HUT6037 分子名称: CHLORIDE ION, chitinase C 著者 Kezuka, Y, Watanabe, T, Nonaka, T. 登録日 2004-12-27 公開日 2005-12-27 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Structural Studies of a Two-domain Chitinase from Streptomyces griseus HUT6037 J.Mol.Biol., 358, 2006
5TV6	A. aeolicus BioW with pimelate 分子名称: 6-carboxyhexanoate--CoA ligase, PIMELIC ACID 著者 Estrada, P, Manandhar, M, Dong, S.-H, Deveryshetty, J, Agarwal, V, Cronan, J.E, Nair, S.K. 登録日 2016-11-08 公開日 2016-12-07 最終更新日 2017-05-31 実験手法 X-RAY DIFFRACTION (2.456 Å) 主引用文献 The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes. Nat. Chem. Biol., 13, 2017
7NRO	Crystal structure of AlkB in complex with manganese and N-(4-((6-((carboxymethyl)carbamoyl)-5-hydroxypyridin-2-yl)amino)phenyl)-N-oxohydroxylammonium 分子名称: 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION 著者 Shishodia, S, Maheswaran, P, Leissing, T, Aik, W.S, McDonough, M.A, Schofield, C.J. 登録日 2021-03-04 公開日 2021-10-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors. J.Med.Chem., 64, 2021
4HXQ	Crystal structure of human Arginase-1 complexed with inhibitor 14 分子名称: Arginase-1, MANGANESE (II) ION, [(5R)-5-carboxy-5-(methylamino)-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-) 著者 Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A. 登録日 2012-11-12 公開日 2013-03-20 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury. J.Med.Chem., 56, 2013
4EQW	Crystal Structure of the Y361F, Y419F Mutant of Staphylococcus aureus CoADR 分子名称: CHLORIDE ION, COENZYME A, Coenzyme A disulfide reductase, ... 著者 Edwards, J.S, Wallace, B.D, Wallen, J.R, Claiborne, A, Redinbo, M.R. 登録日 2012-04-19 公開日 2012-10-17 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights. Biochemistry, 51, 2012
1WBS	Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation. 分子名称: 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE, GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE 14 著者 Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H. 登録日 2004-11-05 公開日 2005-11-03 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation. J.Med.Chem., 48, 2005
5TV5	BioW from Aquifex aeoulicus 分子名称: 6-carboxyhexanoate--CoA ligase 著者 Estrada, P, Manandhar, M, Dong, S.-H, Deveryshetty, J, Agarwal, V, Cronan, J.E, Nair, S.K. 登録日 2016-11-08 公開日 2016-12-07 最終更新日 2017-05-31 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes. Nat. Chem. Biol., 13, 2017
4I91	Crystal Structure of Cytochrome P450 2B6 (Y226H/K262R) in complex with alpha-Pinene. 分子名称: (+)-alpha-Pinene, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... 著者 Shah, M.B, Stout, C.D, Halpert, J.R. 登録日 2012-12-04 公開日 2013-07-03 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural and Thermodynamic Basis of (+)-alpha-Pinene Binding to Human Cytochrome P450 2B6. J.Am.Chem.Soc., 135, 2013
5UGS	Crystal structure of M. tuberculosis InhA inhibited by PT501 分子名称: 5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]-2-(2-methylphenoxy)phenol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... 著者 Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. 登録日 2017-01-10 公開日 2017-02-15 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors. J. Am. Chem. Soc., 139, 2017
4EM4	Crystal Structure of Staphylococcus aureus bound with the covalent inhibitor Pethyl-VS-CoA 分子名称: CHLORIDE ION, Coenzyme A disulfide reductase, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Wallace, B.D, Edwards, J.S, Claiborne, A, Redinbo, M.R. 登録日 2012-04-11 公開日 2012-10-17 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (1.821 Å) 主引用文献 Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights. Biochemistry, 51, 2012
4EM3	Crystal Structure of Staphylococcus aureus bound with the covalent inhibitor MeVS-CoA 分子名称: CHLORIDE ION, Coenzyme A disulfide reductase, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Wallace, B.D, Edwards, J.S, Claiborne, A, Redinbo, M.R. 登録日 2012-04-11 公開日 2012-10-17 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (1.977 Å) 主引用文献 Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights. Biochemistry, 51, 2012
4IDT	Crystal Structure of NIK with 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine (T28) 分子名称: 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine, Mitogen-activated protein kinase kinase kinase 14 著者 Liu, J, Sudom, A, Wang, Z. 登録日 2012-12-13 公開日 2013-04-17 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Inhibiting NF-KB-inducing kinase (NIK): Discovery, structure-based design, synthesis, structure activity relationship, and co-crystal structures Bioorg.Med.Chem.Lett., 23, 2013
4EQS	Crystal structure of the Y419F mutant of Staphylococcus aureus CoADR 分子名称: CHLORIDE ION, COENZYME A, Coenzyme A disulfide reductase, ... 著者 Wallace, B.D, Edwards, J.S, Wallen, J.R, Claiborne, A, Redinbo, M.R. 登録日 2012-04-19 公開日 2012-10-17 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Turnover-Dependent Covalent Inactivation of Staphylococcus aureus Coenzyme A-Disulfide Reductase by Coenzyme A-Mimetics: Mechanistic and Structural Insights. Biochemistry, 51, 2012

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