5P9K
 
 | | CRYSTAL STRUCTURE OF BTK with CNX 774 | | 分子名称: | 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide, Tyrosine-protein kinase BTK | | 著者 | Gardberg, A.S. | | 登録日 | 2016-09-20 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
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5O1B
 | | p53 cancer mutant Y220C in complex with compound MB84 | | 分子名称: | 6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol, Cellular tumor antigen p53, GLYCEROL, ... | | 著者 | Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R. | | 登録日 | 2017-05-18 | | 公開日 | 2018-05-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
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5O94
 | | X-ray structure of a zinc binding GB1 mutant | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, GLYCEROL, ... | | 著者 | Rothlisberger, U, Bozkurt, E, Hovius, R, Perez, M.A.S, Browning, N.J. | | 登録日 | 2017-06-15 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Genetic Algorithm Based Design and Experimental Characterization of a Highly Thermostable Metalloprotein.
J. Am. Chem. Soc., 140, 2018
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5O1E
 | | p53 cancer mutant Y220C im complex with compound MB577 | | 分子名称: | 3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ... | | 著者 | Joerger, A.C, Baud, M.G.J, Bauer, M.R, Fersht, A.R. | | 登録日 | 2017-05-18 | | 公開日 | 2018-05-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
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5O1A
 | | p53 cancer mutant Y220C in complex with compound MB240 | | 分子名称: | Cellular tumor antigen p53, GLYCEROL, ZINC ION, ... | | 著者 | Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R. | | 登録日 | 2017-05-18 | | 公開日 | 2018-05-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
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5O1H
 | | p53 cancer mutant Y220C in complex with compound MB539 | | 分子名称: | 3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ... | | 著者 | Joerger, A.C, Bauer, M.R, Baud, M.G.J, Fersht, A.R. | | 登録日 | 2017-05-18 | | 公開日 | 2018-05-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
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5O1G
 | | p53 cancer mutant Y220C in complex with compound MB487 | | 分子名称: | 3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ... | | 著者 | Joerger, A.C, Baud, M.G.J, Bauer, M.R, Fersht, A.R. | | 登録日 | 2017-05-18 | | 公開日 | 2018-05-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines.
Eur J Med Chem, 152, 2018
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5OFS
 | | X-ray structure of a zinc binding GB1 mutant | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ... | | 著者 | Rothlisberger, U, Bozkurt, E, Hovius, R, Perez, M.A.S, Browning, N.J. | | 登録日 | 2017-07-11 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Genetic Algorithm Based Design and Experimental Characterization of a Highly Thermostable Metalloprotein.
J. Am. Chem. Soc., 140, 2018
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3LG8
 | | Crystal structure of the C-terminal part of subunit E (E101-206) from Methanocaldococcus jannaschii of A1AO ATP synthase | | 分子名称: | A-type ATP synthase subunit E | | 著者 | Balakrishna, A.M, Manimekalai, M.S.S, Hunke, C, Gayen, S, Jeyakanthan, J, Gruber, G. | | 登録日 | 2010-01-19 | | 公開日 | 2010-07-07 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (4.1 Å) | | 主引用文献 | Crystal and solution structure of the C-terminal part of the Methanocaldococcus jannaschii A1AO ATP synthase subunit E revealed by X-ray diffraction and small-angle X-ray scattering
J.Bioenerg.Biomembr., 42, 2010
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2HVD
 | | Human nucleoside diphosphate kinase A complexed with ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A | | 著者 | Giraud, M.-F, Georgescauld, F, Lascu, I, Dautant, A. | | 登録日 | 2006-07-28 | | 公開日 | 2006-09-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Crystal Structures of S120G Mutant and Wild Type of Human Nucleoside Diphosphate Kinase A in Complex with ADP
J.Bioenerg.Biomembr., 38, 2006
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2HVE
 | | S120G mutant of human nucleoside diphosphate kinase A complexed with ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A | | 著者 | Giraud, M.-F, Georgescauld, F, Lascu, I, Dautant, A. | | 登録日 | 2006-07-28 | | 公開日 | 2006-09-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | | 主引用文献 | Crystal Structures of S120G Mutant and Wild Type of Human Nucleoside Diphosphate Kinase A in Complex with ADP
J.Bioenerg.Biomembr., 38, 2006
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9F40
 | | Crystal structure of the NTD domain from S. cerevisia Niemann-Pick type C protein NCR1 with ergosterol bound | | 分子名称: | ACETONITRILE, DI(HYDROXYETHYL)ETHER, ERGOSTEROL, ... | | 著者 | Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P. | | 登録日 | 2024-04-26 | | 公開日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C 1-related protein
To Be Published
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6VGD
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6VG2
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6VG8
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8C80
 | | Cryo-EM structure of the yeast SPT-Orm1-Monomer complex | | 分子名称: | 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ERGOSTEROL, N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide, ... | | 著者 | Schaefer, J, Koerner, C, Parey, K, Januliene, D, Moeller, A, Froehlich, F. | | 登録日 | 2023-01-18 | | 公開日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structure of the ceramide-bound SPOTS complex.
Nat Commun, 14, 2023
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8C81
 | | Cryo-EM structure of the yeast SPT-Orm1-Sac1 complex | | 分子名称: | 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ERGOSTEROL, N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide, ... | | 著者 | Schaefer, J, Koerner, C, Parey, K, Januliene, D, Moeller, A, Froehlich, F. | | 登録日 | 2023-01-18 | | 公開日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structure of the ceramide-bound SPOTS complex.
Nat Commun, 14, 2023
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6R4N
 | | Crystal structure of S. cerevisia Niemann-Pick type C protein NPC2 with ergosterol bound | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ERGOSTEROL, ... | | 著者 | Winkler, M.B.L, Kidmose, R.T, Pedersen, B.P. | | 登録日 | 2019-03-22 | | 公開日 | 2019-09-25 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural Insight into Eukaryotic Sterol Transport through Niemann-Pick Type C Proteins.
Cell, 179, 2019
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2MC9
 | | Cat r 1 | | 分子名称: | Peptidyl-prolyl cis-trans isomerase | | 著者 | Mueller, G, London, R, Ghosh, D. | | 登録日 | 2013-08-16 | | 公開日 | 2014-06-25 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Primary identification, biochemical characterization, and immunologic properties of the allergenic pollen cyclophilin cat R 1.
J.Biol.Chem., 289, 2014
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5KAF
 | | RT XFEL structure of Photosystem II in the dark state at 3.0 A resolution | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | | 登録日 | 2016-06-01 | | 公開日 | 2016-11-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.00001 Å) | | 主引用文献 | Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
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5KAI
 | | NH3-bound RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 2.8 A resolution | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | | 登録日 | 2016-06-01 | | 公開日 | 2016-11-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.80000925 Å) | | 主引用文献 | Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
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8FIR
 | | Crystal structure of TpPta, a phosphotransacetylase from Treponema pallidum | | 分子名称: | 1,2-ETHANEDIOL, CITRIC ACID, Phosphate acetyltransferase | | 著者 | Brautigam, C.A, Norgard, M.V, Deka, R.K. | | 登録日 | 2022-12-16 | | 公開日 | 2023-05-31 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Biophysical and biochemical studies support TP0094 as a phosphotransacetylase in an acetogenic energy-conservation pathway in Treponema pallidum.
Plos One, 18, 2023
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3GX9
 | | Structure of morphinone reductase N189A mutant in complex with tetrahydroNAD | | 分子名称: | 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, Morphinone reductase | | 著者 | Lafite, P, Scrutton, N.S, Leys, D. | | 登録日 | 2009-04-02 | | 公開日 | 2009-05-26 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Parallel Pathways and Free-Energy Landscapes for Enzymatic Hydride Transfer Probed by Hydrostatic Pressure
Chembiochem, 10, 2009
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3HU8
 | | 2-ethoxyphenol in complex with T4 lysozyme L99A/M102Q | | 分子名称: | 2-ethoxyphenol, Lysozyme, PHOSPHATE ION | | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | 登録日 | 2009-06-13 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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3HT9
 | | 2-methoxyphenol in complex with T4 lysozyme L99A/M102Q | | 分子名称: | BETA-MERCAPTOETHANOL, Guaiacol, Lysozyme, ... | | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | 登録日 | 2009-06-11 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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