PDB: 160395 件ウェブページステータス検索Chemie searchBIRD

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4K5Z	Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-2,3-dihydro-1H-isoindol-1-one 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-2,3-dihydro-1H-isoindol-1-one, Chymase, ... 著者 Collins, B.K, Padyana, A.K. 登録日 2013-04-15 公開日 2013-05-29 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies. J.Med.Chem., 56, 2013
3UPX	Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1300 分子名称: Calmodulin-domain protein kinase 1, [2-amino-1-(piperidin-4-ylmethyl)-1H-benzimidazol-6-yl](phenyl)methanone 著者 Merritt, E.A, Larson, E.T. 登録日 2011-11-18 公開日 2012-03-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012
3EQB	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... 著者 Ohren, J.F, Pavlovsky, A, Zhang, E. 登録日 2008-09-30 公開日 2008-11-11 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.62 Å) 主引用文献 2-Alkylamino- and alkoxy-substituted 2-amino-1,3,4-oxadiazoles-O-Alkyl benzohydroxamate esters replacements retain the desired inhibition and selectivity against MEK (MAP ERK kinase). Bioorg.Med.Chem.Lett., 18, 2008
3V51	Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor RM-1-176 分子名称: 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 著者 Merritt, E.A, Larson, E.T. 登録日 2011-12-15 公開日 2012-03-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012
3V5P	Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1288 分子名称: 3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 著者 Merritt, E.A, Larson, E.T. 登録日 2011-12-16 公開日 2012-03-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012
1FV9	Crystal structure of human microurokinase in complex with 2-amino-5-hydroxy-benzimidazole 分子名称: 2-AMINO-5-HYDROXY-BENZIMIDAZOLE, SULFATE ION, UROKINASE 著者 Nienaber, V. 登録日 2000-09-19 公開日 2000-10-18 最終更新日 2018-01-31 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Identification of novel inhibitors of urokinase via NMR-based screening. J.Med.Chem., 43, 2000
2FIE	Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitors 分子名称: 2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE, Fructose-1,6-bisphosphatase 1 著者 Abad-Zapatero, C. 登録日 2005-12-29 公開日 2006-02-21 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.81 Å) 主引用文献 Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase. Bioorg.Med.Chem.Lett., 16, 2006
2FIX	Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitiors 分子名称: Fructose-1,6-bisphosphatase 1, N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE 著者 Abad-Zapatero, C. 登録日 2005-12-30 公開日 2006-02-21 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase. Bioorg.Med.Chem.Lett., 16, 2006
5EOB	Crystal structure of CMET in complex with novel inhibitor 分子名称: 6-[bis(fluoranyl)-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline, Hepatocyte growth factor receptor 著者 Liu, Q, Chen, T, Xu, Y. 登録日 2015-11-10 公開日 2016-10-19 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Discovery of 6-(difluoro(6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl)quinoline as a highly potent and selective c-Met inhibitor Eur.J.Med.Chem., 116, 2016
6OPJ	Menin in complex with peptide inhibitor 25 分子名称: DIMETHYL SULFOXIDE, Menin, Peptide inhibitor 25, ... 著者 Linhares, B.M, Fortuna, P, Cierpicki, T, Grembecka, J, Berlicki, L. 登録日 2019-04-25 公開日 2020-09-02 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.5006572 Å) 主引用文献 Covalent and noncovalent constraints yield a figure eight-like conformation of a peptide inhibiting the menin-MLL interaction. Eur.J.Med.Chem., 207, 2020
1RFI	Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, pentapeptide KLNYK, and tetranucleotide AGTC 分子名称: 5'-D(*AP*GP*TP*C)-3', SPERMINE, Topoisomerase I-Derived Peptide, ... 著者 Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. 登録日 2003-11-10 公開日 2004-03-02 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
1RFF	Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octapeptide KLNYYDPR, and tetranucleotide AGTT. 分子名称: 5'-D(*AP*GP*TP*T)-3', SPERMINE, Topoisomerase I-Derived Peptide, ... 著者 Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. 登録日 2003-11-08 公開日 2004-03-02 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
1RG2	Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTA 分子名称: 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*A)-3', ... 著者 Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. 登録日 2003-11-11 公開日 2004-03-02 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
1RGU	The crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTG 分子名称: 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*G)-3', SPERMINE, ... 著者 Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. 登録日 2003-11-13 公開日 2004-03-02 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
1RG1	Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTT 分子名称: 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*T)-3', SPERMINE, ... 著者 Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. 登録日 2003-11-10 公開日 2004-03-02 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
1RGT	Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTC 分子名称: 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*C)-3', ... 著者 Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. 登録日 2003-11-12 公開日 2004-03-02 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
4LKO	Crystal structure of human DPP-IV in complex with BMS-744891 分子名称: 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, Dipeptidyl peptidase 4 著者 Klei, H.E. 登録日 2013-07-08 公開日 2013-09-04 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.43 Å) 主引用文献 Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778). J.Med.Chem., 56, 2013
1RH0	Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine and trinucleotide GTT 分子名称: 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*GP*TP*T)-3', SPERMINE, ... 著者 Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G. 登録日 2003-11-13 公開日 2004-03-02 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes. J.Med.Chem., 47, 2004
7KDO	Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-73 分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine 著者 Shaw, G.X, Shi, G, Ji, X. 登録日 2020-10-09 公開日 2020-12-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding. Bioorg.Med.Chem., 29, 2021
7KDR	Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-75 分子名称: 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-{[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine, ... 著者 Shaw, G.X, Shi, G, Ji, X. 登録日 2020-10-09 公開日 2020-12-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.488 Å) 主引用文献 Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding. Bioorg.Med.Chem., 29, 2021
1QPL	FK506 BINDING PROTEIN (12 KDA, HUMAN) COMPLEX WITH L-707,587 分子名称: C32-O-(1-METHYL-INDOL-5-YL) 18-HYDROXY-ASCOMYCIN, PROTEIN (FK506-BINDING PROTEIN) 著者 Becker, J.W, Rotonda, J. 登録日 1999-05-25 公開日 1999-08-16 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 32-Indolyl ether derivatives of ascomycin: three-dimensional structures of complexes with FK506-binding protein. J.Med.Chem., 42, 1999
5FWQ	Apo structure of human Leukotriene A4 hydrolase 分子名称: ACETATE ION, HUMAN LEUKOTRIENE A4 HYDROLASE, IMIDAZOLE, ... 著者 Wittmann, S.K, Kalinowsky, L, Kramer, J, Bloecher, R, Steinhilber, D, Pogoryelov, D, Proschak, E, Heering, J. 登録日 2016-02-19 公開日 2016-10-05 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.047 Å) 主引用文献 Thermodynamic properties of leukotriene A4hydrolase inhibitors. Bioorg.Med.Chem., 24, 2016
2ZA5	Crystal Structure of human tryptase with potent non-peptide inhibitor 分子名称: (5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone, Tryptase beta 2 著者 Spurlino, J.C, Barnakov, S.A, Lewandowski, F, Milligan, C. 登録日 2007-10-02 公開日 2008-02-26 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives Bioorg.Med.Chem.Lett., 18, 2008
3ZXR	Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with tri-substituted imidazole inhibitor (3-(2-tert-butyl- 5-(pyridin-4-yl)-1H-imidazol-4-yl)quinoline) and L-methionine-S- sulfoximine phosphate. 分子名称: 3-(2-TERT-BUTYL-5-(PYRIDIN-4-YL)-1H-IMIDAZOL-4-YL)QUINOLINE, CHLORIDE ION, GLUTAMINE SYNTHETASE 1, ... 著者 Nilsson, M.T, Mowbray, S.L. 登録日 2011-08-15 公開日 2012-04-04 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Trisubstituted Imidazoles as Mycobacterium Tuberculosis Glutamine Synthetase Inhibitors. J.Med.Chem., 55, 2012
3ZXV	Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with tri-substituted imidazole inhibitor (4-(2-tert-butyl- 4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl)pyridin-2-amine) and L- methionine-S-sulfoximine phosphate 分子名称: 4-(2-TERT-BUTYL-4-(6-METHOXYNAPHTHALEN-2-YL)-3H-IMIDAZOL-4-YL)PYRIDIN-2-AMINE, CHLORIDE ION, GLUTAMINE SYNTHETASE 1, ... 著者 Nilsson, M.T, Mowbray, S.L. 登録日 2011-08-16 公開日 2012-04-04 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Trisubstituted Imidazoles as Mycobacterium Tuberculosis Glutamine Synthetase Inhibitors. J.Med.Chem., 55, 2012

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