PDB: 10530 件ウェブページステータス検索Chemie searchBIRD

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3R8G	AKR1C3 complex with ibuprofen 分子名称: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, ... 著者 Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. 登録日 2011-03-24 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.799 Å) 主引用文献 Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
3SZA	Crystal structure of human ALDH3A1 - apo form 分子名称: ACETATE ION, Aldehyde dehydrogenase, dimeric NADP-preferring, ... 著者 Khanna, M, Hurley, T.D. 登録日 2011-07-18 公開日 2011-11-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases. J.Biol.Chem., 286, 2011
3R7M	AKR1C3 complex with sulindac 分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. 登録日 2011-03-22 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
3RE8	Structural and Kinetic Analysis of the Beef liver Catalase interacting with Nitric Oxide 分子名称: Catalase, PROTOPORPHYRIN IX CONTAINING FE 著者 Purwar, N, Schmidt, M. 登録日 2011-04-03 公開日 2011-05-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Interaction of nitric oxide with catalase: structural and kinetic analysis. Biochemistry, 50, 2011
3R8H	AKR1C3 complex with zomepirac 分子名称: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Yosaatmadja, Y, Teague, R.M, Flanagan, J.U, Squire, C.J. 登録日 2011-03-24 公開日 2012-05-02 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
3QEI	RB69 DNA Polymerase (L561A/S565G/Y567A) Ternary Complex with dCTP Opposite Difluorotoluene Nucleoside 分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3'), ... 著者 Xia, S, Konigsberg, W.H, Wang, J. 登録日 2011-01-20 公開日 2012-01-25 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.178 Å) 主引用文献 Structural Basis for Differential Insertion Kinetics of dNMPs Opposite a Difluorotoluene Nucleotide Residue. Biochemistry, 51, 2012
5RFT	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102432 分子名称: 1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE 著者 Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. 登録日 2020-03-15 公開日 2020-03-25 最終更新日 2021-02-24 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
6ZGL	Structure of DPS determined by movement-free cryoEM with zero dose extrapolation 分子名称: DNA protection during starvation protein 著者 Naydenova, K, Russo, C.J. 登録日 2020-06-19 公開日 2020-10-21 最終更新日 2024-05-01 実験手法 ELECTRON MICROSCOPY (1.9 Å) 主引用文献 Cryo-EM with sub-1 angstrom specimen movement. Science, 370, 2020
5R82	PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z219104216 分子名称: 3C-like proteinase, 6-(ethylamino)pyridine-3-carbonitrile, DIMETHYL SULFOXIDE 著者 Fearon, D, Powell, A.J, Douangamath, A, Owen, C.D, Wild, C, Krojer, T, Lukacik, P, Strain-Damerell, C.M, Walsh, M.A, von Delft, F. 登録日 2020-03-03 公開日 2020-03-11 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
5RE6	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z54571979 分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide 著者 Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. 登録日 2020-03-15 公開日 2020-03-25 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
5REM	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103016 分子名称: 1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE 著者 Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. 登録日 2020-03-15 公開日 2020-03-25 最終更新日 2021-02-24 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
5RF3	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741970824 分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, pyrimidin-5-amine 著者 Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. 登録日 2020-03-15 公開日 2020-03-25 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
5RFJ	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103067 分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide 著者 Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. 登録日 2020-03-15 公開日 2020-03-25 最終更新日 2021-02-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
5RFX	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102254 分子名称: 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE 著者 Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. 登録日 2020-03-15 公開日 2020-03-25 最終更新日 2021-02-24 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
7M1R	Crystal structure of a 6-phospho-beta-galactosidase from Bacillus licheniformis 分子名称: 1,2-ETHANEDIOL, 6-phospho-beta-galactosidase 著者 Liberato, M.V, Popov, A, Polikarpov, I. 登録日 2021-03-14 公開日 2021-09-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Differences in Gluco and Galacto Substrate-Binding Interactions in a Dual 6P beta-Glucosidase/6P beta-Galactosidase Glycoside Hydrolase 1 Enzyme from Bacillus licheniformis . J.Chem.Inf.Model., 61, 2021
5RED	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434865 分子名称: 3C-like proteinase, 4-[2-(phenylsulfanyl)ethyl]morpholine, DIMETHYL SULFOXIDE 著者 Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. 登録日 2020-03-15 公開日 2020-03-25 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
5REW	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102275 分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide 著者 Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. 登録日 2020-03-15 公開日 2020-03-25 最終更新日 2021-02-24 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
5RF5	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z3241250482 分子名称: 1,1-bis(oxidanylidene)thietan-3-ol, 3C-like proteinase, DIMETHYL SULFOXIDE 著者 Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. 登録日 2020-03-15 公開日 2020-03-25 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
5RFP	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102190 分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide 著者 Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. 登録日 2020-03-15 公開日 2020-03-25 最終更新日 2021-02-24 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
1W5J	AN ANTI-PARALLEL FOUR HELIX BUNDLE 分子名称: GENERAL CONTROL PROTEIN GCN4 著者 Yadav, M.K, Leman, L.J, Stout, C.D, Ghadiri, M.R. 登録日 2004-08-07 公開日 2004-09-24 最終更新日 2019-05-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Coiled Coils at the Edge of Configurational Heterogeneity. Structural Analyses of Parallel and Antiparallel Homotetrameric Coiled Coils Reveal Configurational Sensitivity to a Single Solvent-Exposed Amino Acid Substitution. Biochemistry, 45, 2006
7M1H	Crystal structure of LC/A-JPU-C10-JPU-D12-JPU-B8-JPU-G3-ciA-F12-ciA-D12 分子名称: Botulinum neurotoxin A light chain, JPU-B8, JPU-C10, ... 著者 Lam, K, Jin, R. 登録日 2021-03-13 公開日 2021-12-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.78 Å) 主引用文献 Probing the structure and function of the protease domain of botulinum neurotoxins using single-domain antibodies. Plos Pathog., 18, 2022
7LZP	LC/A-JPU-B9-JPU-A11-JPU-G11 分子名称: Botulinum neurotoxin A light chain, JPU-A11, JPU-B9, ... 著者 Lam, K, Jin, R. 登録日 2021-03-10 公開日 2021-12-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.86 Å) 主引用文献 Probing the structure and function of the protease domain of botulinum neurotoxins using single-domain antibodies. Plos Pathog., 18, 2022
5REB	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434899 分子名称: 1-[(thiophen-3-yl)methyl]piperidin-4-ol, 3C-like proteinase, DIMETHYL SULFOXIDE 著者 Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. 登録日 2020-03-15 公開日 2020-03-25 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
5RF2	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741969146 分子名称: 1-azanylpropylideneazanium, 3C-like proteinase, DIMETHYL SULFOXIDE 著者 Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. 登録日 2020-03-15 公開日 2020-03-25 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
5RFG	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102372 分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-phenylacetamide 著者 Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. 登録日 2020-03-15 公開日 2020-03-25 最終更新日 2021-02-24 実験手法 X-RAY DIFFRACTION (2.32 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020

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