PDB: 243083 件ウェブページステータス検索Chemie searchBIRD

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5OMF	Closed, ternary structure of KOD DNA polymerase 分子名称: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*CP*AP*C)-3'), ... 著者 Kropp, H.M, Betz, K, Wirth, J, Diederichs, K, Marx, A. 登録日 2017-07-31 公開日 2017-12-20 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.092 Å) 主引用文献 Crystal structures of ternary complexes of archaeal B-family DNA polymerases. PLoS ONE, 12, 2017
4D0R	Mtb InhA complex with Pyradizinone compound 1 分子名称: 4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE 著者 Read, J.A, Gingell, H, Madhavapeddi, P, Lange, S. 登録日 2014-04-29 公開日 2015-05-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Pyridazinones: A Novel Scaffold with Excellent Physicochemical Properties and Safety Profile for a Clinically Validated Target of Mycobacterium Tuberculosis To be Published
1PU8	Crystal structure of H.pylori 3-methyladenine DNA glycosylase (MagIII) bound to 1,N6-ethenoadenine 分子名称: 3-METHYLADENINE DNA GLYCOSYLASE, 3H-IMIDAZO[2,1-I]PURINE, BETA-MERCAPTOETHANOL 著者 Eichman, B.F, O'Rourke, E.J, Radicella, J.P, Ellenberger, T. 登録日 2003-06-24 公開日 2003-10-07 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Crystal structures of 3-methyladenine DNA glycosylase MagIII and the recognition of alkylated bases Embo J., 22, 2003
4QR6	Human Aldose Reductase complexed with a ligand with an IDD structure (2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-5-fluoro-phenoxy]acetic acid) at 1.05 A 分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(1,3-benzothiazol-2-ylmethyl)carbamoyl]-5-fluorophenoxy}acetic acid 著者 Rechlin, C, Heine, A, Klebe, G. 登録日 2014-06-30 公開日 2015-08-12 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation To be Published
3TB2	1-Cys peroxidoxin from Plasmodium Yoelli 分子名称: 1,2-ETHANEDIOL, 1-Cys peroxiredoxin, GLYCEROL, ... 著者 Qiu, W, Artz, J.D, Vedadi, M, Sharma, S, Houston, S, Lew, J, Wasney, G, Amani, M, Xu, X, Bray, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Hui, R, Bochkarev, A, Structural Genomics Consortium (SGC) 登録日 2011-08-04 公開日 2011-10-19 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
3TFN	Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1183 分子名称: (1-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)acetic acid, Dehydrosqualene synthase, MAGNESIUM ION 著者 Lin, F.-Y, Liu, Y.-L, Oldfield, E. 登録日 2011-08-16 公開日 2012-04-04 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics. Chemmedchem, 7, 2012
4J1N	Crystal structures of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold 分子名称: 1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ... 著者 Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E. 登録日 2013-02-01 公開日 2014-07-23 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI). Bioorg.Med.Chem.Lett., 25, 2015
5U3J	Crystal Structure of DH511.1 Fab in Complex with HIV-1 gp41 MPER Peptide 分子名称: DH511.1 Heavy Chain, DH511.1 Light Chain, gp41 MPER peptide 著者 Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. 登録日 2016-12-02 公開日 2017-02-15 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.74 Å) 主引用文献 Potent and broad HIV-neutralizing antibodies in memory B cells and plasma. Sci Immunol, 2, 2017
2WWC	3D-structure of the modular autolysin LytC from Streptococcus pneumoniae in complex with synthetic peptidoglycan ligand 分子名称: 1,4-BETA-N-ACETYLMURAMIDASE, CHOLINE ION, GLYCEROL 著者 Perez-Dorado, I, Sanles, R, Hermoso, J.A, Gonzalez, A, Garcia, A, Garcia, P, Garcia, J.L. 登録日 2009-10-22 公開日 2010-04-21 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Insights Into Pneumococcal Fratricide from the Crystal Structures of the Modular Killing Factor Lytc. Nat.Struct.Mol.Biol., 17, 2010
4IUO	1.8 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) K170M Mutant in Complex with Quinate 分子名称: (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid, 3-dehydroquinate dehydratase 著者 Light, S.H, Minasov, G, Duban, M.-E, Shuvalova, L, Kwon, K, Lavie, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2013-01-21 公開日 2013-01-30 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structures of type I dehydroquinate dehydratase in complex with quinate and shikimate suggest a novel mechanism of schiff base formation. Biochemistry, 53, 2014
5AC1	Sheep aldehyde dehydrogenase 1A1 with duocarmycin analog inhibitor 分子名称: 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, MAGNESIUM ION, RETINAL DEHYDROGENASE 1, ... 著者 Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A. 登録日 2015-08-11 公開日 2015-08-26 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues. Angew.Chem.Int.Ed.Engl., 54, 2015
3TPN	Crystal structure of M-PMV dUTPASE complexed with dUPNPP, substrate 分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... 著者 Nemeth, V, Barabas, O, Vertessy, G.B. 登録日 2011-09-08 公開日 2011-10-12 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structural Snapshots of Enzyme-Catalysed Phosphate Ester Hydrolysis Directly Visualize In-line Attack and Inversion To be Published
3PLR	Crystal structure of Klebsiella pneumoniae UDP-glucose 6-dehydrogenase complexed with NADH and UDP-glucose 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, UDP-glucose 6-dehydrogenase, URIDINE-5'-MONOPHOSPHATE 著者 Chen, Y.-Y, Ko, T.-P, Lin, C.-H, Chen, W.-H, Wang, A.H.-J. 登録日 2010-11-15 公開日 2011-09-28 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Conformational change upon product binding to Klebsiella pneumoniae UDP-glucose dehydrogenase: a possible inhibition mechanism for the key enzyme in polymyxin resistance. J.Struct.Biol., 175, 2011
5EGH	Structure of ENPP6, a choline-specific glycerophosphodiester-phosphodiesterase in complex with phosphocholine 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Morita, J, Kano, K, Kato, K, Takita, H, Ishitani, R, Nishimasu, H, Nureki, O, Aoki, J. 登録日 2015-10-27 公開日 2016-03-09 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.803 Å) 主引用文献 Structure and biological function of ENPP6, a choline-specific glycerophosphodiester-phosphodiesterase Sci Rep, 6, 2016
1KQF	FORMATE DEHYDROGENASE N FROM E. COLI 分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CARDIOLIPIN, FORMATE DEHYDROGENASE, ... 著者 Jormakka, M, Tornroth, S, Byrne, B, Iwata, S. 登録日 2002-01-05 公開日 2002-03-15 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Molecular basis of proton motive force generation: structure of formate dehydrogenase-N. Science, 295, 2002
4AJH	rat LDHA in complex with N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido- propanamide and 2-(4-bromophenoxy)propanedioic acid 分子名称: 2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... 著者 Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Greenwood, R, Pearson, S, Debreczeni, J. 登録日 2012-02-16 公開日 2012-03-21 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
4A16	Structure of mouse Acetylcholinesterase complex with Huprine derivative 分子名称: (1-{4-[(7S,11S)-12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... 著者 Carletti, E, Colletier, J.P, Nachon, F, Weik, M, Ronco, C, Jean, L, Renard, P.Y. 登録日 2011-09-14 公開日 2012-03-28 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Huprine Derivatives as Sub-Nanomolar Human Acetylcholinesterase Inhibitors: From Rational Design to Validation by X-Ray Crystallography. Chemmedchem, 7, 2012
2VNJ	X-RAY STRUCTURE OF THE FERREDOXIN-NADP(H) REDUCTASE FROM RHODOBACTER CAPSULATUS IN COMPLEX WITH NADP. FORM I AT 2.13 ANGSTROMS RESOLUTION 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH:FERREDOXIN REDUCTASE, ... 著者 Perez-Dorado, I, Hermoso, J.A. 登録日 2008-02-05 公開日 2008-11-11 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Coenzyme Binding and Hydride Transfer in Rhodobacter Capsulatus Ferredoxin/Flavodoxin Nadp(H) Oxidoreductase. Biochim.Biophys.Acta, 1794, 2009
1YPF	Crystal Structure of GuaC (BA5705) from Bacillus anthracis at 1.8 A Resolution 分子名称: GMP reductase 著者 Grenha, R, Levdikov, V.M, Blagova, E.V, Fogg, M.J, Brannigan, J.A, Wilkinson, A.J, Wilson, K.S, Structural Proteomics in Europe (SPINE) 登録日 2005-01-31 公開日 2006-02-14 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structure of GuaC (BA5705) from Bacillus anthracis at 1.8 A Resolution. To be Published
5OQF	Crystal structure of a single chain trimer composed of the MHC 1 heavy chain H2-Kb WT, beta-2microglobulin, and ovalbumin derived peptide 分子名称: Beta-2-microglobulin,H-2 class I histocompatibility antigen, K-B alpha chain 著者 Mikolajek, H, Werner, J.M. 登録日 2017-08-11 公開日 2018-04-11 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 The partial dissociation of MHC class I-bound peptides exposes their N terminus to trimming by endoplasmic reticulum aminopeptidase 1. J. Biol. Chem., 293, 2018
1HT8	THE 2.7 ANGSTROM RESOLUTION MODEL OF OVINE COX-1 COMPLEXED WITH ALCLOFENAC 分子名称: (3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, PROSTAGLANDIN H2 SYNTHASE-1, ... 著者 Selinsky, B.S, Gupta, K, Sharkey, C.T, Loll, P.J. 登録日 2000-12-29 公開日 2001-04-11 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 Structural analysis of NSAID binding by prostaglandin H2 synthase: time-dependent and time-independent inhibitors elicit identical enzyme conformations. Biochemistry, 40, 2001
3SR6	Crystal Structure of Reduced Bovine Xanthine Oxidase in Complex with Arsenite 分子名称: FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER, ... 著者 Cao, H, Hille, R. 登録日 2011-07-07 公開日 2011-07-27 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 X-ray Crystal Structure of Arsenite-Inhibited Xanthine Oxidase: Mu-Sulfido,Mu-Oxo Double Bridge between Molybdenum and Arsenic in the Active Site. J.Am.Chem.Soc., 133, 2011
2J6L	Structure of aminoadipate-semialdehyde dehydrogenase 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ALDEHYDE DEHYDROGENASE FAMILY 7 MEMBER A1, BROMIDE ION, ... 著者 Bunkoczi, G, Guo, K, Debreczeni, J.E, Smee, C, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, von Delft, F, Oppermann, U. 登録日 2006-09-29 公開日 2006-10-12 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Aldehyde Dehydrogenase 7A1 (Aldh7A1) is a Novel Enzyme Involved in Cellular Defense Against Hyperosmotic Stress. J.Biol.Chem., 285, 2010
7DR2	Structure of GraFix PSI tetramer from Cyanophora paradoxa 分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... 著者 Kato, K, Nagao, R, Akita, F, Miyazaki, N, Shen, J.R. 登録日 2020-12-25 公開日 2022-02-16 最終更新日 2025-09-17 実験手法 ELECTRON MICROSCOPY (3.8 Å) 主引用文献 Structural insights into an evolutionary turning-point of photosystem I from prokaryotes to eukaryotes Biorxiv, 2022
7DR0	Structure of Wild-type PSI monomer1 from Cyanophora paradoxa 分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... 著者 Kato, K, Nagao, R, Akita, F, Miyazaki, N, Shen, J.R. 登録日 2020-12-25 公開日 2022-02-16 最終更新日 2025-09-17 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 Structural insights into an evolutionary turning-point of photosystem I from prokaryotes to eukaryotes Biorxiv, 2022

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