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

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5REZ	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with POB0129 分子名称: (1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide, 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 (1.79 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
5RFE	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z509756472 分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide 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 (1.46 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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
4B7J	H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis 分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... 著者 van der Vries, E, Vachieri, S.G, Xiong, X, Liu, J, Collins, P.J, Walker, P.A, Haire, L.F, Hay, A.J, Schutten, M, Osterhaus, A.D.M.E, Martin, S.R, Boucher, C.A.B, Skehel, J.J, Gamblin, S.J. 登録日 2012-08-20 公開日 2012-10-03 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.417 Å) 主引用文献 H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis Plos Pathog., 8, 2012
2H50	Multiple distinct assemblies reveal conformational flexibility in the small heat shock protein Hsp26 分子名称: small heat shock protein Hsp26 著者 White, H.E, Orlova, E.V, Chen, S, Wang, L, Ignatiou, A, Gowen, B, Stromer, T, Franzmann, T.M, Haslbeck, M, Buchner, J, Saibil, H.R. 登録日 2006-05-25 公開日 2006-08-01 最終更新日 2024-02-14 実験手法 ELECTRON MICROSCOPY (10.8 Å) 主引用文献 Multiple distinct assemblies reveal conformational flexibility in the small heat shock protein hsp26 Structure, 14, 2006
4ASQ	Crystal structure of ANCE in complex with Bradykinin 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, BRADYKININ, ... 著者 Akif, M, Masuyer, G, Sturrock, E.D, Isaac, R.E, Acharya, K.R. 登録日 2012-05-02 公開日 2012-10-31 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Structural Basis of Peptide Recognition by the Angiotensin-I Converting Enzyme Homologue Ance from Drosophila Melanogaster FEBS J., 279, 2012
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
4ASR	Crystal structure of ANCE in complex with Thr6-Bradykinin 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, BRADYKININ, ... 著者 Akif, M, Masuyer, G, Sturrock, E.D, Isaac, R.E, Acharya, K.R. 登録日 2012-05-02 公開日 2012-10-31 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural Basis of Peptide Recognition by the Angiotensin-I Converting Enzyme Homologue Ance from Drosophila Melanogaster FEBS J., 279, 2012
4JIJ	Crystal structure of an inactive mutant of MMP-9 catalytic domain in complex with a fluorogenic synthetic peptidic substrate 分子名称: 1,2-ETHANEDIOL, AZIDE ION, CALCIUM ION, ... 著者 Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Tranchant, I, Amoura, M, Dive, V. 登録日 2013-03-06 公開日 2014-03-12 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.698 Å) 主引用文献 Halogen Bonding Controls Selectivity of FRET Substrate Probes for MMP-9. Chem.Biol., 21, 2014
4BA1	Archaeal exosome (Rrp4-Rrp41(D182A)-Rrp42) bound to inorganic phosphate 分子名称: DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, PHOSPHATE ION, ... 著者 Lorentzen, E, Conti, E. 登録日 2012-09-10 公開日 2012-10-03 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structure of a 9-Subunit Archaeal Exosome in Pre-Catalytic States of the Phosphorolytic Reaction. Archaea, 2012, 2012
1HFD	HUMAN COMPLEMENT FACTOR D IN A P21 CRYSTAL FORM 分子名称: COMPLEMENT FACTOR D 著者 Jing, H, Babu, Y.S, Moore, D, Kilpatrick, J.M, Liu, X.-Y, Volanakis, J.E, Narayana, S.V.L. 登録日 1998-06-18 公開日 1999-06-22 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structures of native and complexed complement factor D: implications of the atypical His57 conformation and self-inhibitory loop in the regulation of specific serine protease activity. J.Mol.Biol., 282, 1998
2XIQ	Crystal structure of human methylmalonyl-CoA mutase in complex with adenosylcobalamin and malonyl-CoA 分子名称: 5'-DEOXYADENOSINE, COBALAMIN, MALONYL-COENZYME A, ... 著者 Yue, W.W, Froese, D.S, Kochan, G, Chaikuad, A, Krojer, T, Muniz, J, Ugochukwu, E, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. 登録日 2010-06-30 公開日 2010-09-29 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structures of the Human Gtpase Mmaa and Vitamin B12-Dependent Methylmalonyl-Coa Mutase and Insight Into Their Complex Formation. J.Biol.Chem., 285, 2010
1H36	Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme 分子名称: (4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-2-ENYL}OXY)PHENYL]METHANONE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SQUALENE--HOPENE CYCLASE 著者 Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. 登録日 2002-08-24 公開日 2003-08-21 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase J.Med.Chem., 46, 2003
2Y39	Ni-bound form of Cupriavidus metallidurans CH34 CnrXs 分子名称: ACETATE ION, NICKEL (II) ION, NICKEL AND COBALT RESISTANCE PROTEIN CNRR 著者 Trepreau, J, Girard, E, Maillard, A.P, de Rosny, E, Petit-Haertlein, I, Kahn, R, Coves, J. 登録日 2010-12-20 公開日 2011-03-30 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Structural Basis for Metal Sensing by Cnrx. J.Mol.Biol., 408, 2011
1HGI	BINDING OF INFLUENZA VIRUS HEMAGGLUTININ TO ANALOGS OF ITS CELL-SURFACE RECEPTOR, SIALIC ACID: ANALYSIS BY PROTON NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND X-RAY CRYSTALLOGRAPHY 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, CHAIN HA1, ... 著者 Sauter, N.K, Hanson, J.E, Glick, G.D, Brown, J.H, Crowther, R.L, Park, S.-J, Skehel, J.J, Wiley, D.C. 登録日 1991-11-01 公開日 1994-01-31 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Binding of influenza virus hemagglutinin to analogs of its cell-surface receptor, sialic acid: analysis by proton nuclear magnetic resonance spectroscopy and X-ray crystallography. Biochemistry, 31, 1992
4B0T	Structure of the Pup Ligase PafA of the Prokaryotic Ubiquitin-like Modification Pathway in Complex with ADP 分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PUP--PROTEIN LIGASE 著者 Ozcelik, D, Barandun, J, Schmitz, N, Sutter, M, Guth, E, Damberger, F.F, Allain, F.H.-T, Ban, N, Weber-Ban, E. 登録日 2012-07-04 公開日 2012-09-12 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.159 Å) 主引用文献 Structures of Pup Ligase Pafa and Depupylase Dop from the Prokaryotic Ubiquitin-Like Modification Pathway. Nat.Commun., 3, 2012
2XEQ	Human PatL1 C-terminal domain 分子名称: PAT1 HOMOLOG 1, 著者 Tritschler, F, Weichenrieder, O. 登録日 2010-05-17 公開日 2010-06-16 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 The C-Terminal Alpha-Alpha Superhelix of Pat is Required for Mrna Decapping in Metazoa. Embo J., 29, 2010
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
2XBO	Equine Rhinitis A Virus in Complex with its Sialic Acid Receptor 分子名称: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, P1 著者 Fry, E.E, Tuthill, T.J, Harlos, K, Walter, T.S, Rowlands, D.J, Stuart, D.I. 登録日 2010-04-14 公開日 2010-09-22 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (4 Å) 主引用文献 The Crystal Structure of Equine Rhinitis a Virus in Complex with its Sialic Acid Receptor. J.Gen.Virol., 91, 2010
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

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