PDB: 184427 件ウェブページステータス検索Chemie searchBIRD

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3DYH	T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-721 分子名称: 3-butoxy-1-(2,2-diphosphonoethyl)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION 著者 Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. 登録日 2008-07-27 公開日 2009-05-05 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation. J.Am.Chem.Soc., 131, 2009
6FW0	Crystal structure of human monoamine oxidase B (MAO B) in complex with chlorophenyl-chromone-carboxamide 分子名称: Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... 著者 Reis, J, Manzella, N, Cagide, F, Mialet-Perez, J, Uriarte, E, Parini, A, Borges, F, Binda, C. 登録日 2018-03-05 公開日 2018-04-25 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis. J. Med. Chem., 61, 2018
1G05	HETEROCYCLE-BASED MMP INHIBITOR WITH P2'SUBSTITUENTS 分子名称: 1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE, CALCIUM ION, STROMELYSIN-1 PRECURSOR, ... 著者 Pikul, S, Dunham, K.M, Almstead, N.G, De, B, Natchus, M.G, Taiwo, Y.O, Williams, L.E, Hynd, B.A, Hsieh, L.C, Janusz, M.J. 登録日 2000-10-05 公開日 2001-10-05 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Heterocycle-based MMP inhibitors with P2' substituents. Bioorg.Med.Chem.Lett., 11, 2001
6HIY	Cryo-EM structure of the Trypanosoma brucei mitochondrial ribosome - This entry contains the body of the small mitoribosomal subunit in complex with mt-IF-3 分子名称: 9S rRNA, MAGNESIUM ION, SPERMIDINE, ... 著者 Ramrath, D.J.F, Niemann, M, Leibundgut, M, Bieri, P, Prange, C, Horn, E.K, Leitner, A, Boehringer, D, Schneider, A, Ban, N. 登録日 2018-08-31 公開日 2018-09-26 最終更新日 2019-12-11 実験手法 ELECTRON MICROSCOPY (3.27 Å) 主引用文献 Evolutionary shift toward protein-based architecture in trypanosomal mitochondrial ribosomes. Science, 362, 2018
6FWC	Crystal structure of human monoamine oxidase B (MAO B) in complex with fluorophenyl-chromone-carboxamide 分子名称: Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... 著者 Reis, J, Manzella, N, Cagide, F, Mialet-Perez, J, Uriarte, E, Parini, A, Borges, F, Binda, C. 登録日 2018-03-06 公開日 2018-04-25 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis. J. Med. Chem., 61, 2018
2AM2	sp protein ligand 2 分子名称: 2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-2-YL)-5-DIETHYLSULFAMOYL-BENZAMIDE, UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine ligase, MurF protein 著者 Longenecker, K.L, Stamper, G.F, Hajduk, P.J, Fry, E.H, Jakob, C.G, Harlan, J.E, Edalji, R, Bartley, D.M, Walter, K.A, Solomon, L.R. 登録日 2005-08-08 公開日 2006-01-24 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structure of MurF from Streptococcus pneumoniae co-crystallized with a small molecule inhibitor exhibits interdomain closure Protein Sci., 14, 2005
2W1D	Structure determination of Aurora Kinase in complex with inhibitor 分子名称: 2-(1H-pyrazol-3-yl)-1H-benzimidazole, SERINE/THREONINE-PROTEIN KINASE 6 著者 Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. 登録日 2008-10-17 公開日 2009-01-27 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.97 Å) 主引用文献 Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
6HN2	Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 5 分子名称: 14-3-3 protein sigma, 2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide, Estrogen Receptor, ... 著者 Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C. 登録日 2018-09-13 公開日 2019-02-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers. J. Am. Chem. Soc., 141, 2019
1G1S	P-SELECTIN LECTIN/EGF DOMAINS COMPLEXED WITH PSGL-1 PEPTIDE 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-[beta-D-galactopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-galactopyranose, P-SELECTIN, ... 著者 Somers, W.S, Camphausen, R.T. 登録日 2000-10-13 公開日 2001-10-13 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1. Cell(Cambridge,Mass.), 103, 2000
5AOP	SULFITE REDUCTASE STRUCTURE REDUCED WITH CRII EDTA, 5-COORDINATE SIROHEME, SIROHEME FEII, [4FE-4S] +1 分子名称: IRON/SULFUR CLUSTER, POTASSIUM ION, SIROHEME, ... 著者 Crane, B.R, Getzoff, E.D. 登録日 1997-07-10 公開日 1998-01-14 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structures of the siroheme- and Fe4S4-containing active center of sulfite reductase in different states of oxidation: heme activation via reduction-gated exogenous ligand exchange. Biochemistry, 36, 1997
3ZWU	Pseudomonas fluorescens PhoX in complex with vanadate, a transition state analogue 分子名称: ALKALINE PHOSPHATASE PHOX, CALCIUM ION, CHLORIDE ION, ... 著者 Yong, S.C, Roversi, P, Lillington, J.E.D, Zeldin, O.B, Garman, E.F, Lea, S.M, Berks, B.C. 登録日 2011-08-02 公開日 2012-08-08 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry Science, 345, 2014
2OF5	Oligomeric Death Domain complex 分子名称: Death domain-containing protein CRADD, Leucine-rich repeat and death domain-containing protein 著者 Park, H.H, Logette, E, Raunser, S, Cuenin, S, Walz, T, Tschopp, J, Wu, H. 登録日 2007-01-02 公開日 2007-04-17 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Death domain assembly mechanism revealed by crystal structure of the oligomeric PIDDosome core complex. Cell(Cambridge,Mass.), 128, 2007
6HRL	Crystal structure of the Kelch domain of human KLHL17 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Kelch-like protein 17, ... 著者 Chen, Z, Williams, E, Sorrell, F.J, Newman, J.A, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, F, Edwards, C.H, Bountra, C, Bullock, A.N. 登録日 2018-09-27 公開日 2018-10-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Crystal structure of the Kelch domain of human KLHL17 To Be Published
6GAZ	Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM. This file contains the 28S ribosomal subunit. 分子名称: 12S ribosomal RNA, mitochondrial, 28S ribosomal protein S18b, ... 著者 Kummer, E, Leibundgut, M, Boehringer, D, Ban, N. 登録日 2018-04-13 公開日 2018-08-08 最終更新日 2019-12-18 実験手法 ELECTRON MICROSCOPY (3.1 Å) 主引用文献 Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM. Nature, 560, 2018
2VNT	UROKINASE-TYPE PLASMINOGEN ACTIVATOR INHIBITOR COMPLEX WITH A 1-(7- SULPHOAMIDOISOQUINOLINYL)GUANIDINE 分子名称: 1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)AMINO]ISOQUINOLIN-7-YL}SULFONYL)-D-PROLINE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR 著者 Fish, P.V, Barber, C.G, Brown, D.G, Butt, R, Henry, B.T, Horne, V, Huggins, J.P, Mccleverty, D, Phillips, C, Webster, R, Dickinson, R.P, Collis, M.G, King, E, O'Gara, M, Mcintosh, F. 登録日 2008-02-07 公開日 2008-02-19 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Selective Urokinase-Type Plasminogen Activator (Upa) Inhibitors 4. 1-(7-Sulphonamidoisoquinolinyl) Guanidines J.Med.Chem., 50, 2007
3HQW	Discovery of novel inhibitors of PDE10A 分子名称: 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole, MAGNESIUM ION, ZINC ION, ... 著者 Pandit, J, Marr, E.S. 登録日 2009-06-08 公開日 2009-08-04 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009
4J1Z	Tankyrase 2 in complex with 4-chloro-1,2-dihydrophatalzin-one 分子名称: 4-chlorophthalazin-1(2H)-one, SULFATE ION, Tankyrase-2, ... 著者 Jansson, A.E. 登録日 2013-02-03 公開日 2013-07-10 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Fragment-based ligand design of novel potent inhibitors of tankyrases. J.Med.Chem., 56, 2013
4RSV	Human Obscurin Ig58 Domain 分子名称: Obscurin 著者 Wright, N.T, Oehler, M.C, Berndsen, C.E, Du Pont, K.E. 登録日 2014-11-11 公開日 2016-02-24 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.41 Å) 主引用文献 Arrhythmia and deregulated Ca2+ cycling underlie the development of hypertrophic cardiomyopathy due to mutant giant obscurin To be Published
4EOI	Thr 160 phosphorylated CDK2 K89D, Q131E - human cyclin A3 complex with the inhibitor RO3306 分子名称: (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ... 著者 Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. 登録日 2012-04-14 公開日 2013-02-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
4EOP	Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with the inhibitor RO3306 分子名称: (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ... 著者 Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. 登録日 2012-04-14 公開日 2013-02-06 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
4EOM	Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with ATP 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... 著者 Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. 登録日 2012-04-14 公開日 2013-02-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
6G17	Non-aged form of Torpedo californica acetylcholinesterase inhibited by nerve agent tabun 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... 著者 Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F. 登録日 2018-03-20 公開日 2018-08-29 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
4Q9R	Crystal structure of an RNA aptamer bound to trifluoroethyl-ligand analog in complex with Fab 分子名称: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one, Fab BL3-6, HEAVY CHAIN, ... 著者 Huang, H, Suslov, N.B, Li, N.-S, Shelke, S.A, Evans, M.E, Koldobskaya, Y, Rice, P.A, Piccirilli, J.A. 登録日 2014-05-01 公開日 2014-06-18 最終更新日 2017-07-26 実験手法 X-RAY DIFFRACTION (3.12 Å) 主引用文献 A G-quadruplex-containing RNA activates fluorescence in a GFP-like fluorophore. Nat.Chem.Biol., 10, 2014
5B02	Structure of the prenyltransferase MoeN5 with a fusion protein tag of Sso7d 分子名称: MoeN5,DNA-binding protein 7d 著者 Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O. 登録日 2015-10-27 公開日 2016-03-23 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5. Angew.Chem.Int.Ed.Engl., 55, 2016
4K4F	Co-crystal structure of TNKS1 with compound 18 [4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide] 分子名称: 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-1, ZINC ION 著者 Huang, X, Bregman, H, Wilson, C, DiMauro, E, Gunaydin, H. 登録日 2013-04-12 公開日 2013-06-05 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors. J.Med.Chem., 56, 2013

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