PDB: 245396 件ウェブページステータス検索Chemie searchBIRD

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7GUO	Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 18.12 MGy X-ray dose. 分子名称: 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein, CHLORIDE ION, ... 著者 Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M. 登録日 2024-01-09 公開日 2025-02-26 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures. J.Appl.Crystallogr., 57, 2024
5SBO	CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z2856434878 分子名称: 1,2-ETHANEDIOL, 4-[(3,4-dimethoxyphenyl)methyl]morpholine, CD44 antigen, ... 著者 Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. 登録日 2021-09-14 公開日 2021-09-22 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.274 Å) 主引用文献 CD44 PanDDA analysis group deposition To Be Published
5SBP	CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1229798311 分子名称: 1,2-ETHANEDIOL, 2-acetamido-6-fluorobenzoic acid, CD44 antigen, ... 著者 Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. 登録日 2021-09-14 公開日 2021-09-22 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.275 Å) 主引用文献 CD44 PanDDA analysis group deposition To Be Published
7GUR	Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 22.65 MGy X-ray dose. 分子名称: 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein, CHLORIDE ION, ... 著者 Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M. 登録日 2024-01-09 公開日 2025-02-26 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures. J.Appl.Crystallogr., 57, 2024
3WCF	The complex structure of HsSQS wtih ligand,BPH1218 分子名称: Squalene synthase, hydrogen [(1S)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate 著者 Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. 登録日 2013-05-27 公開日 2014-06-18 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
7GUK	Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 12.08 MGy X-ray dose. 分子名称: 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein, CHLORIDE ION, ... 著者 Rodrigues, M.J, Le Bihan, Y.V, van Montfort, R.L.M. 登録日 2024-01-09 公開日 2025-02-26 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Specific radiation damage to halogenated inhibitors and ligands in protein-ligand crystal structures. J.Appl.Crystallogr., 57, 2024
3B1B	The unique structure of wild type carbonic anhydrase alpha-CA1 from Chlamydomonas reinhardtii 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase 1, SULFATE ION, ... 著者 Shimizu, S, Takenaka, A. 登録日 2011-06-29 公開日 2011-11-16 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 The unique structure of carbonic anhydrase alpha CA1 from Chlamydomonas reinhardtii Acta Crystallogr.,Sect.D, 67, 2011
3QQG	CDK2 in complex with inhibitor L2-5 分子名称: 1,2-ETHANEDIOL, 4-chloro-2-(4,6-diamino-1,3,5-triazin-2-yl)phenol, Cyclin-dependent kinase 2, ... 著者 Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. 登録日 2011-02-15 公開日 2012-08-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
5SBX	CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z53825479 分子名称: 1,2-ETHANEDIOL, CD44 antigen, DI(HYDROXYETHYL)ETHER, ... 著者 Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. 登録日 2021-09-14 公開日 2021-09-22 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.051 Å) 主引用文献 CD44 PanDDA analysis group deposition To Be Published
3B29	Human leukotriene C4 synthase in complex with dodecyl-beta-D-selenomaltoside 分子名称: GLUTATHIONE, Leukotriene C4 synthase, SULFATE ION, ... 著者 Saino, H, Ago, H, Miyano, M. 登録日 2011-07-22 公開日 2011-12-14 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Seleno-detergent MAD phasing of leukotriene C4 synthase in complex with dodecyl-beta-D-selenomaltoside Acta Crystallogr.,Sect.F, 67, 2011
3WD3	Serratia marcescens Chitinase B complexed with azide inhibitor 分子名称: Chitinase B, GLYCEROL, SULFATE ION, ... 著者 Hirose, T, Maita, N, Gouda, H, Koseki, J, Yamamoto, T, Sugawara, A, Nakano, H, Hirono, S, Shiomi, K, Watanabe, T, Taniguchi, H, Sharpless, K.B, Omura, S, Sunazuka, T. 登録日 2013-06-06 公開日 2013-09-18 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor Proc.Natl.Acad.Sci.USA, 110, 2013
7K88	Crystal structure of bovine RPE65 in complex with hexaethylene glycol monooctyl ether 分子名称: 3,6,9,12,15,18-hexaoxahexacosan-1-ol, FE (II) ION, Retinoid isomerohydrolase, ... 著者 Kiser, P.D. 登録日 2020-09-26 公開日 2021-06-02 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy. J.Med.Chem., 64, 2021
3WCJ	The complex structure of HsSQS wtih ligand,E5700 分子名称: (3R)-3-({2-benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol, Squalene synthase 著者 Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. 登録日 2013-05-27 公開日 2014-06-18 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
5SC0	CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z2856434899 分子名称: 1,2-ETHANEDIOL, 1-[(thiophen-3-yl)methyl]piperidin-4-ol, CD44 antigen, ... 著者 Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. 登録日 2021-09-14 公開日 2021-09-22 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.192 Å) 主引用文献 CD44 PanDDA analysis group deposition To Be Published
5SC5	CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z56827661 分子名称: 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... 著者 Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. 登録日 2021-09-14 公開日 2021-09-22 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.171 Å) 主引用文献 CD44 PanDDA analysis group deposition To Be Published
4REC	A nuclease-DNA complex form 3 分子名称: DNA (40-MER), Fanconi-associated nuclease 1, IODIDE ION 著者 Zhao, Q, Xue, X, Longerich, S, Sung, P, Xiong, Y. 登録日 2014-09-22 公開日 2014-12-24 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural insights into 5' flap DNA unwinding and incision by the human FAN1 dimer. Nat Commun, 5, 2014
1KNM	Streptomyces lividans Xylan Binding Domain cbm13 in Complex with Lactose 分子名称: ENDO-1,4-BETA-XYLANASE A, GLYCEROL, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose 著者 Notenboom, V, Boraston, A.B, Williams, S.J, Kilburn, D.G, Rose, D.R. 登録日 2001-12-19 公開日 2002-06-19 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 High-resolution crystal structures of the lectin-like xylan binding domain from Streptomyces lividans xylanase 10A with bound substrates reveal a novel mode of xylan binding. Biochemistry, 41, 2002
5SC6	CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with POB0019 分子名称: 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... 著者 Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. 登録日 2021-09-14 公開日 2021-09-22 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.327 Å) 主引用文献 CD44 PanDDA analysis group deposition To Be Published
2PZ8	NAD+ Synthetase from Bacillus anthracis with AMP-CPP and Mg2+ 分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, GLYCEROL, MAGNESIUM ION, ... 著者 McDonald, H.M, Pruett, P.S, Deivanayagam, C, Protasevich, I.I, Carson, W.M, DeLucas, L.J, Brouillette, W.J, Brouillette, C.G. 登録日 2007-05-17 公開日 2007-07-31 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural adaptation of an interacting non-native C-terminal helical extension revealed in the crystal structure of NAD(+) synthetase from Bacillus anthracis. Acta Crystallogr.,Sect.D, 63, 2007
3QXP	CDK2 in complex with inhibitor RC-3-89 分子名称: 1,2-ETHANEDIOL, 4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 著者 Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. 登録日 2011-03-02 公開日 2012-10-31 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
4QVB	Mycobacterium tuberculosis protein Rv1155 in complex with co-enzyme F420 分子名称: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, COENZYME F420, ... 著者 Mashalidis, E.H, Gittis, A.G, Tomczak, A, Abell, C, Barry III, C.E, Garboczi, D.N. 登録日 2014-07-14 公開日 2015-02-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Molecular insights into the binding of coenzyme F420 to the conserved protein Rv1155 from Mycobacterium tuberculosis. Protein Sci., 24, 2015
4LV6	Crystal Structure of small molecule disulfide 4 covalently bound to K-Ras G12C 分子名称: 1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide, CALCIUM ION, GTPase KRas, ... 著者 Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. 登録日 2013-07-26 公開日 2013-11-27 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
4P5S	Structure of reduced W45Y mutant of amicyanin 分子名称: Amicyanin, COPPER (I) ION 著者 Sukumar, N, Davidson, V.L. 登録日 2014-03-19 公開日 2014-04-23 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.02 Å) 主引用文献 The sole tryptophan of amicyanin enhances its thermal stability but does not influence the electronic properties of the type 1 copper site. Arch.Biochem.Biophys., 550-551, 2014
7H4W	Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z56042334 (A71EV2A-x1140) 分子名称: 1-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethan-1-one, DIMETHYL SULFOXIDE, Protease 2A, ... 著者 Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. 登録日 2024-04-04 公開日 2024-04-24 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals. Biorxiv, 2024
4FXQ	Full-length Certhrax toxin from Bacillus cereus in complex with Inhibitor P6 分子名称: 8-fluoro-2-(3-piperidin-1-ylpropanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6(2H)-one, CHLORIDE ION, Putative ADP-ribosyltransferase Certhrax, ... 著者 Visschedyk, D.D, Dimov, S, Kimber, M.S, Park, H.W, Merrill, A.R. 登録日 2012-07-03 公開日 2012-09-26 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.9599 Å) 主引用文献 Certhrax Toxin, an Anthrax-related ADP-ribosyltransferase from Bacillus cereus. J.Biol.Chem., 287, 2012

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