PDB: 245011 件ウェブページステータス検索Chemie searchBIRD

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4QK7	Influenza A M2 wild type TM domain at high pH in the lipidic cubic phase under cryo diffraction conditions 分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, CALCIUM ION, ... 著者 Thomaston, J.L. 登録日 2014-06-05 公開日 2015-11-11 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction. Proc.Natl.Acad.Sci.USA, 112, 2015
3OYE	Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI Compound2 分子名称: AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... 著者 Hare, S, Cherepanov, P. 登録日 2010-09-23 公開日 2010-11-17 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.74 Å) 主引用文献 Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance. Proc.Natl.Acad.Sci.USA, 107, 2010
5BJX	X-ray structure of the PglF 4,6-dehydratase from campylobacter jejuni, variant T395V, in complex with UDP 分子名称: 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... 著者 Riegert, A.S, Thoden, J.B, Holden, H.M. 登録日 2017-09-12 公開日 2017-11-08 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural and Biochemical Investigation of PglF from Campylobacter jejuni Reveals a New Mechanism for a Member of the Short Chain Dehydrogenase/Reductase Superfamily. Biochemistry, 56, 2017
7HNS	PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z2072621991 分子名称: 1,2-ETHANEDIOL, 2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) 登録日 2024-11-04 公開日 2024-11-27 実験手法 X-RAY DIFFRACTION (1.29 Å) 主引用文献 PanDDA analysis group deposition To Be Published
4BU1	Crystal structure of Rad4 BRCT1,2 in complex with a Crb2 phosphopeptide 分子名称: 1,2-ETHANEDIOL, DNA REPAIR PROTEIN RHP9, GLYCEROL, ... 著者 Qu, M, Rappas, M, Wardlaw, C.P, Garcia, V, Carr, A.M, Oliver, A.W, Du, L.L, Pearl, L.H. 登録日 2013-06-19 公開日 2013-10-09 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Phosphorylation-Dependent Assembly and Coordination of the DNA Damage Checkpoint Apparatus by Rad4(Topbp1.). Mol.Cell, 51, 2013
7HMJ	PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1578665941 分子名称: 1,2-ETHANEDIOL, 1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane, E3 ubiquitin-protein ligase TRIM21, ... 著者 Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) 登録日 2024-11-04 公開日 2024-11-27 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7HNL	PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1251207602 分子名称: 1,2-ETHANEDIOL, 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) 登録日 2024-11-04 公開日 2024-11-27 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 PanDDA analysis group deposition To Be Published
4HXS	Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]-1-PHENYLMETHANESULFONAMIDE inhibitor 分子名称: Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide 著者 Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. 登録日 2012-11-12 公開日 2013-04-03 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
7HNJ	PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1162778919 分子名称: 1,2-ETHANEDIOL, 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2(1H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) 登録日 2024-11-04 公開日 2024-11-27 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5XJH	Crystal structure of PETase from Ideonella sakaiensis 分子名称: Poly(ethylene terephthalate) hydrolase 著者 Joo, S, Kim, K.-J. 登録日 2017-05-01 公開日 2018-02-14 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Structural insight into molecular mechanism of poly(ethylene terephthalate) degradation. Nat Commun, 9, 2018
1AGU	THE SOLUTION NMR STRUCTURE OF THE C10R ADDUCT OF BENZO[A]PYRENE-DIOL-EPOXIDE AT THE N6 POSITION OF ADENINE OF AN 11 BASE-PAIR OLIGONUCLEOTIDE SEQUENCE CODING FOR AMINO ACIDS 60-62 OF THE PRODUCT OF THE N-RAS PROTOONCOGENE, MINIMIZED AVERAGE STRUCTURE 分子名称: DNA (5'-D(*CP*GP*GP*AP*CP*EP*AP*GP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3') 著者 Zegar, I.S, Stone, M.P. 登録日 1997-03-25 公開日 1997-08-20 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 Adduction of the human N-ras codon 61 sequence with (-)-(7S,8R,9R,10S)-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a] pyrene: structural refinement of the intercalated SRSR(61,2) (-)-(7S,8R,9S,1 0R)-N6-[10-(7,8,9,10- tetrahydrobenzo[a]pyrenyl)]-2'-deoxyadenosyl adduct from 1H NMR Biochemistry, 35, 1996
4HYI	X-RAY Crystal structure of compound 40 bound to human chk1 kinase domain 分子名称: 2-(1H-indazol-1-yl)-N-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, GLYCEROL, Serine/threonine-protein kinase Chk1 著者 Fischmann, T.O. 登録日 2012-11-13 公開日 2013-03-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.399 Å) 主引用文献 Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
5SDH	PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434854 分子名称: 1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION 著者 Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. 登録日 2022-01-20 公開日 2022-02-09 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.313 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5PB9	PanDDA analysis group deposition -- Crystal Structure of BAZ2B in complex with N09521a 分子名称: 1,2-ETHANEDIOL, 1-(3-hydroxyphenyl)ethanone, Bromodomain adjacent to zinc finger domain protein 2B 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-03 公開日 2017-03-15 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.782 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PBF	PanDDA analysis group deposition -- Crystal Structure of BAZ2B in complex with N09645a 分子名称: 1,2-ETHANEDIOL, 7-oxidanyl-3,4-dihydro-1~{H}-quinolin-2-one, Bromodomain adjacent to zinc finger domain protein 2B 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-03 公開日 2017-03-15 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.801 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
2XMF	Myosin 1e SH3 分子名称: MYOSIN 1E SH3, OCTANE 1,8-DIAMINE 著者 Edwards, T, Allsop, G, Peckham, M. 登録日 2010-07-27 公開日 2011-08-10 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Myosin 1E SH3 To be Published
7H65	THE 1.8 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH N-[1-[2-[[2-hydroxy-3-methyl-3-(4-methylphenyl)-4-oxocyclobuten-1-yl]-phenylmethyl]-6-methyl-1H-indol-3-yl]-2-methylpropan-2-yl]acetamide 分子名称: Chymase, DIMETHYL SULFOXIDE, N-(1-{2-[(S)-[(3S)-2-hydroxy-3-methyl-3-(4-methylphenyl)-4-oxocyclobut-1-en-1-yl](phenyl)methyl]-6-methyl-1H-indol-3-yl}-2-methylpropan-2-yl)acetamide, ... 著者 Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H. 登録日 2024-04-19 公開日 2025-03-05 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structures of human Chymase and Cathepsin G To be published
3EXU	A glycoside hydrolase family 11 xylanase with an extended thumb region 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase, GLYCEROL 著者 Vandermarliere, E, Pollet, A, Strelkov, S.V, Delcour, J.A, Courtin, C.M. 登録日 2008-10-17 公開日 2009-08-25 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Crystallographic and activity-based evidence for thumb flexibility and its relevance in glycoside hydrolase family 11 xylanases Proteins, 77, 2009
5POM	PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10958a 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, N-methylquinoline-3-carboxamide, ... 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-15 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5POV	PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11063a 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, N-methylthieno[2,3-b]pyridine-2-carboxamide, ... 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-15 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
3OY8	Crystal structure of human galectin-1 in complex with lactobionic acid 分子名称: Galectin-1, beta-D-galactopyranose-(1-4)-D-gluconic acid 著者 Blanchard, H, Collins, P.M. 登録日 2010-09-23 公開日 2010-11-03 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Galectin inhibitory disaccharides promote tumour immunity in a breast cancer model CANCER LETT., 2010
5SLP	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z373768898 分子名称: N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ... 著者 Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. 登録日 2022-03-03 公開日 2022-03-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.819 Å) 主引用文献 PanDDA analysis group deposition To Be Published
4PWJ	Crystal structure of V30M mutant human transthyretin complexed with nordihydroguaiaretic acid 分子名称: 4-[(2R,3S)-3-[(3,4-DIHYDROXYPHENYL)METHYL]-2-METHYLBUTYL]BENZENE-1,2-DIOL, Transthyretin 著者 Yokoyama, T, Kosaka, Y, Mizuguchi, M. 登録日 2014-03-20 公開日 2014-11-26 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Inhibitory Activities of Propolis and Its Promising Component, Caffeic Acid Phenethyl Ester, against Amyloidogenesis of Human Transthyretin J.Med.Chem., 57, 2014
5SLQ	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434829 分子名称: PHOSPHATE ION, Proofreading exoribonuclease nsp14, ZINC ION, ... 著者 Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. 登録日 2022-03-03 公開日 2022-03-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.112 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5SM4	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434944 分子名称: PHOSPHATE ION, Proofreading exoribonuclease nsp14, ZINC ION, ... 著者 Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A. 登録日 2022-03-03 公開日 2022-03-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 PanDDA analysis group deposition To Be Published

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