PDB: 95574 件ウェブページステータス検索Chemie searchBIRD

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5WAW	FcAbVance: Increasing our knowledge of antibody structural space to enable faster and better decision-making in antibody drug discovery 分子名称: GLYCEROL, ZINC ION, fAb Heavy Chain, ... 著者 Williams, S.P, Reid, R.A, Convery, M. 登録日 2017-06-27 公開日 2017-11-08 最終更新日 2019-05-22 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision-making in antibody drug discovery. Not Published
6VP4	Ethylene forming enzyme (EFE) in complex with Fe(II), L-arginine, and 2OG 分子名称: 2-OXOGLUTARIC ACID, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ... 著者 Davis, K.M, Copeland, R.A, Boal, A.K. 登録日 2020-02-01 公開日 2021-02-03 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 An Iron(IV)-Oxo Intermediate Initiating l-Arginine Oxidation but Not Ethylene Production by the 2-Oxoglutarate-Dependent Oxygenase, Ethylene-Forming Enzyme. J.Am.Chem.Soc., 143, 2021
3D55	Crystal structure of M. tuberculosis YefM antitoxin 分子名称: SULFATE ION, Uncharacterized protein Rv3357/MT3465 著者 Kumar, P, Issac, B, Dodson, E.J, Turkenberg, J.P, Mande, S.C. 登録日 2008-05-15 公開日 2008-12-02 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Crystal structure of Mycobacterium tuberculosis YefM antitoxin reveals that it is not an intrinsically unstructured protein J.Mol.Biol., 383, 2008
3CTO	Crystal Structure of M. tuberculosis YefM antitoxin 分子名称: SULFATE ION, Uncharacterized protein Rv3357/MT3465 著者 Kumar, P, Issac, B, Dodson, E.J, Turkenberg, J.P, Mande, S.C. 登録日 2008-04-14 公開日 2008-12-02 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal structure of Mycobacterium tuberculosis YefM antitoxin reveals that it is not an intrinsically unstructured protein J.Mol.Biol., 383, 2008
4V2F	Tetracycline repressor TetR(D), unliganded 分子名称: TETRACYCLINE REPRESSOR PROTEIN CLASS D 著者 Werten, S, Orth, P, Saenger, W, Hinrichs, W. 登録日 2014-10-09 公開日 2014-12-10 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition. Biochemistry, 53, 2014
4V2G	Tetracycline repressor TetR(D) bound to chlortetracycline and iso- chlortetracycline 分子名称: 7-CHLOROTETRACYCLINE, ISO-7-CHLORTETRACYCLINE, MAGNESIUM ION, ... 著者 Werten, S, Orth, P, Saenger, W, Hinrichs, W. 登録日 2014-10-09 公開日 2014-12-10 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.71 Å) 主引用文献 Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition. Biochemistry, 53, 2014
4WA0	The structure of a possible adhesin C-terminal domain from Caldicellulosiruptor kronotskyensis 分子名称: MAGNESIUM ION, possible adhesin 著者 Alahuhta, P.M, Lunin, V.V. 登録日 2014-08-28 公開日 2015-03-04 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Discrete and Structurally Unique Proteins (Tapirins) Mediate Attachment of Extremely Thermophilic Caldicellulosiruptor Species to Cellulose. J.Biol.Chem., 290, 2015
7AEZ	Crystal structure of the metallo-beta-lactamase NDM-7 with 407 分子名称: 1,2-ETHANEDIOL, 2-ETHOXYETHANOL, 7-propan-2-yl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, ... 著者 Brem, J, Schofield, C.J. 登録日 2020-09-18 公開日 2021-10-06 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.018 Å) 主引用文献 Not available yet To Be Published
2TMY	CHEY FROM THERMOTOGA MARITIMA (APO-II) 分子名称: CHEY PROTEIN 著者 Usher, K.C, De La Cruz, A, Dahlquist, F.W, Remington, S.J. 登録日 1997-05-19 公開日 1997-12-03 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structures of CheY from Thermotoga maritima do not support conventional explanations for the structural basis of enhanced thermostability. Protein Sci., 7, 1998
2RKQ	Crystal structure of drosophila peptidoglycan recognition protein SD (PGRP-SD) 分子名称: Peptidoglycan-recognition protein-SD 著者 Roussel, A, Royet, J, Leone, P, Kellenberger, C. 登録日 2007-10-17 公開日 2008-03-25 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystal structure of Drosophila PGRP-SD suggests binding to DAP-type but not lysine-type peptidoglycan Mol.Immunol., 45, 2008
7SVM	DPP8 IN COMPLEX WITH LIGAND ICeD-2 分子名称: (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 8, trimethylamine oxide 著者 Lammens, A, Hollenstein, K, Klein, D.J. 登録日 2021-11-19 公開日 2022-10-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
7SVN	DPP9 IN COMPLEX WITH LIGAND ICeD-1 分子名称: (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 9 著者 Lammens, A, Hollenstein, K, Klein, D.J. 登録日 2021-11-19 公開日 2022-10-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.78 Å) 主引用文献 A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
7SVO	DPP8 IN COMPLEX WITH LIGAND ICeD-1 分子名称: (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 8, trimethylamine oxide 著者 Lammens, A, Hollenstein, K, Klein, D.J. 登録日 2021-11-19 公開日 2022-10-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.58 Å) 主引用文献 A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
7SVL	DPP9 IN COMPLEX WITH LIGAND ICeD-2 分子名称: (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 9 著者 Lammens, A, Hollenstein, K, Klein, D.J. 登録日 2021-11-19 公開日 2022-10-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.46 Å) 主引用文献 A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
5O98	Binary complex of Catharanthus roseus Vitrosamine Synthase with NADP+ 分子名称: Alcohol dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Stavrinides, A.K, Tatsis, E.C, Dang, T.T, Caputi, L, Stevenson, C.E.M, Lawson, D.M, Schneider, B, O'Connor, S.E. 登録日 2017-06-16 公開日 2018-02-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Discovery of a Short-Chain Dehydrogenase from Catharanthus roseus that Produces a New Monoterpene Indole Alkaloid. Chembiochem, 19, 2018
5XGT	Crystal structure of the N-terminal domain of Staphylococcus aureus single-stranded DNA-binding protein SsbA at 1.82 angstrom resolution 分子名称: GLYCEROL, Single-stranded DNA-binding protein 著者 Huang, Y.H, Chen, C.J, Huang, C.Y. 登録日 2017-04-17 公開日 2017-08-09 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Staphylococcus aureus single-stranded DNA-binding protein SsbA can bind but cannot stimulate PriA helicase. PLoS ONE, 12, 2017
4PAQ	A conserved phenylalanine as relay between the 5 helix and the GDP binding region of heterotrimeric G protein 分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION 著者 Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. 登録日 2014-04-09 公開日 2014-07-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 A Conserved Phenylalanine as a Relay between the alpha 5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein alpha Subunit. J.Biol.Chem., 289, 2014
4PAO	A conserved phenylalanine as relay between the 5 helix and the GDP binding region of heterotrimeric G protein 分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION 著者 Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. 登録日 2014-04-09 公開日 2014-07-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.003 Å) 主引用文献 A Conserved Phenylalanine as a Relay between the alpha 5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein alpha Subunit. J.Biol.Chem., 289, 2014
8IFQ	SARS-CoV-2 3CL protease (3CLpro) in complex with compound 2 分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 著者 Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. 登録日 2023-02-19 公開日 2023-10-18 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
8IFS	SARS-CoV-2 3CL protease (3CLpro) in complex with compound 7 分子名称: (8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 著者 Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. 登録日 2023-02-19 公開日 2023-10-18 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.46 Å) 主引用文献 Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
8IFP	SARS-CoV-2 3CL protease (3CLpro) in complex with compound 1 分子名称: (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 著者 Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. 登録日 2023-02-19 公開日 2023-10-18 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
8IFR	SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3 分子名称: (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-5-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]hex-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 著者 Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. 登録日 2023-02-19 公開日 2023-10-18 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
8IFT	SARS-CoV-2 3CL protease (3CLpro) in complex with compound 10 分子名称: (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2S)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 著者 Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. 登録日 2023-02-19 公開日 2023-10-18 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
8IGY	SARS-CoV-2 3CL protease (3CLpro) in complex with nirmatrelvir 分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 著者 Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. 登録日 2023-02-21 公開日 2023-10-18 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
2RNZ	Solution structure of the presumed chromodomain of the yeast histone acetyltransferase, Esa1 分子名称: Histone acetyltransferase ESA1 著者 Shimojo, H, Sano, N, Moriwaki, Y, Okuda, M, Horikoshi, M, Nishimura, Y. 登録日 2008-03-01 公開日 2008-04-29 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 Novel structural and functional mode of a knot essential for RNA binding activity of the Esa1 presumed chromodomain J.Mol.Biol., 378, 2008

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