4FCQ
 
 | | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | | 分子名称: | 4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Heat shock protein HSP 90-alpha | | 著者 | Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | | 登録日 | 2012-05-25 | | 公開日 | 2012-10-24 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.151 Å) | | 主引用文献 | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
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5GM1
 | | Crystal structure of methyltransferase TleD complexed with SAH | | 分子名称: | O-methylransferase, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Yu, F, Li, M.J, Xu, C.Y, Zhou, H, Sun, B, Wang, Z.J, Xu, Q, Xie, M.Y, Zuo, G, Huang, P, Wang, Q.S, He, J.H. | | 登録日 | 2016-07-12 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD
Biochem.J., 473, 2016
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4FPR
 | | Structure of a fungal protein | | 分子名称: | Avirulence Effector AvrLm4-7 | | 著者 | Blondeau, K, Blaise, F, Graille, M, Linglin, J, Ollivier, B, Labarde, A, Doizy, A, Daverdin, G, Balesdent, M.H, Rouxel, T, van Tilbeurgh, H, Fudal, I. | | 登録日 | 2012-06-22 | | 公開日 | 2013-12-11 | | 最終更新日 | 2022-08-03 | | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | | 主引用文献 | Crystal structure of the effector AvrLm4-7 of Leptosphaeria maculans reveals insights into its translocation into plant cells and recognition by resistance proteins.
Plant J., 83, 2015
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6DD4
 | | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor | | 分子名称: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-dipropyl-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ... | | 著者 | dos Reis, C.V, Santiago, A.S, de Souza, G.P, Counago, R.M, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | | 登録日 | 2018-05-09 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor
To Be Published
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3USQ
 | | Structure of D159S/Y194F glycogenin mutant truncated at residue 270 | | 分子名称: | CHLORIDE ION, GLYCEROL, Glycogenin-1 | | 著者 | Issoglio, F.M, Carrizo, M.E, Romero, J.M, Curtino, J.A. | | 登録日 | 2011-11-23 | | 公開日 | 2011-12-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Mechanisms of monomeric and dimeric glycogenin autoglucosylation.
J.Biol.Chem., 287, 2012
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7MQZ
 | | Cytochrome c oxidase assembly factor 7 | | 分子名称: | Cytochrome c oxidase assembly factor 7 | | 著者 | Maghool, S, Maher, M.J. | | 登録日 | 2021-05-07 | | 公開日 | 2022-03-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Mitochondrial COA7 is a heme-binding protein with disulfide reductase activity, which acts in the early stages of complex IV assembly.
Proc.Natl.Acad.Sci.USA, 119, 2022
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3UDH
 | | Crystal Structure of BACE with Compound 1 | | 分子名称: | (3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one, 1,2-ETHANEDIOL, Beta-secretase 1, ... | | 著者 | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | 登録日 | 2011-10-28 | | 公開日 | 2012-04-18 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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3UDQ
 | | Crystal Structure of BACE with Compound 13 | | 分子名称: | (4S)-6-bromo-1,1-dioxido-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1 | | 著者 | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | 登録日 | 2011-10-28 | | 公開日 | 2012-04-18 | | 最終更新日 | 2018-04-04 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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7M69
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3UDM
 | | Crystal Structure of BACE with Compound 8 | | 分子名称: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | 登録日 | 2011-10-28 | | 公開日 | 2012-04-18 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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4YHF
 | | Bruton's tyrosine kinase in complex with a t-butyl cyanoacrylamide inhibitor | | 分子名称: | (2S)-2-({(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Paavilainen, V.O, McFarland, J.M, Taunton, J. | | 登録日 | 2015-02-27 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Prolonged and tunable residence time using reversible covalent kinase inhibitors.
Nat.Chem.Biol., 11, 2015
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7M68
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5VNS
 | | M.tb Antigen 85C Acyl-Enzyme Intermediate with Tetrahydrolipstatin | | 分子名称: | (2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-2-HEXYL-3-HYDROXYHEXADECANOIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, Diacylglycerol acyltransferase/mycolyltransferase Ag85C, ... | | 著者 | Goins, C.M, Ronning, D.R. | | 登録日 | 2017-05-01 | | 公開日 | 2018-01-24 | | 最終更新日 | 2019-12-11 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Mycolyltransferase fromMycobacterium tuberculosisin covalent complex with tetrahydrolipstatin provides insights into antigen 85 catalysis.
J. Biol. Chem., 293, 2018
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4F9U
 | | Structure of glycosylated glutaminyl cyclase from Drosophila melanogaster | | 分子名称: | 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CG32412, ... | | 著者 | Kolenko, P, Koch, B, Ruiz-Carilo, D, Stubbs, M.T. | | 登録日 | 2012-05-21 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structures of Glutaminyl Cyclases (QCs) from Drosophila melanogaster Reveal Active Site Conservation between Insect and Mammalian QCs.
Biochemistry, 51, 2012
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4YV5
 | | Crystal Structure of Myotoxin II from Bothrops moojeni complexed to Suramin | | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, Basic phospholipase A2 homolog 2, ... | | 著者 | Salvador, G.H.M, Fontes, M.R.M. | | 登録日 | 2015-03-19 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural and functional evidence for membrane docking and disruption sites on phospholipase A2-like proteins revealed by complexation with the inhibitor suramin.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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7MFS
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5VX2
 | | Mcl-1 in complex with Bim-h3Pc-RT | | 分子名称: | 1,2-ETHANEDIOL, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1 chimera | | 著者 | Cowan, A.D, Brouwer, J.M, Colman, P.M, Czabotar, P.E. | | 登録日 | 2017-05-23 | | 公開日 | 2017-11-15 | | 最終更新日 | 2020-01-08 | | 実験手法 | X-RAY DIFFRACTION (1.851 Å) | | 主引用文献 | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
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6WMU
 | | E. coli RNAPs70-SspA-gadA DNA complex | | 分子名称: | DNA NT-strand, DNA NT-strand downstream, DNA T-strand, ... | | 著者 | Travis, B.A, Brennan, R.G, Schumacher, M.A. | | 登録日 | 2020-04-21 | | 公開日 | 2020-11-11 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.18 Å) | | 主引用文献 | Structural Basis for Virulence Activation of Francisella tularensis.
Mol.Cell, 81, 2021
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7MFN
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7MQT
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3UJ4
 | | Crystal structure of the apo-inositol 1,4,5-trisphosphate receptor | | 分子名称: | Inositol 1,4,5-trisphosphate receptor type 1, SULFATE ION | | 著者 | Ikura, M, Seo, M.D, Ishiyama, N, Stathopulos, P. | | 登録日 | 2011-11-07 | | 公開日 | 2012-02-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural and functional conservation of key domains in InsP3 and ryanodine receptors.
Nature, 483, 2012
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3CBG
 | | Functional and Structural Characterization of a Cationdependent O-Methyltransferase from the Cyanobacterium Synechocystis Sp. Strain PCC 6803 | | 分子名称: | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, MAGNESIUM ION, ... | | 著者 | Kopycki, J.G, Neumann, P, Stubbs, M.T. | | 登録日 | 2008-02-22 | | 公開日 | 2008-06-10 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Functional and Structural Characterization of a Cation-dependent O-Methyltransferase from the Cyanobacterium Synechocystis sp. Strain PCC 6803
J.Biol.Chem., 283, 2008
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4OOZ
 | | Crystal structure of beta-1,4-D-mannanase from Cryptopygus antarcticus in complex with mannopentaose | | 分子名称: | Beta-1,4-mannanase, beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, ... | | 著者 | Kim, M.-K, An, Y.J, Jeong, C.-S, Cha, S.-S. | | 登録日 | 2014-02-04 | | 公開日 | 2014-08-06 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-based investigation into the functional roles of the extended loop and substrate-recognition sites in an endo-beta-1,4-d-mannanase from the Antarctic springtail, Cryptopygus antarcticus.
Proteins, 82, 2014
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6DF4
 | | TAF1-BD2 in complex with Cpd8 (6-(but-3-en-1-yl)-4-(3-(morpholine-4-carbonyl)phenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one) | | 分子名称: | 6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Transcription initiation factor TFIID subunit | | 著者 | Murray, J.M, Tang, Y. | | 登録日 | 2018-05-14 | | 公開日 | 2018-10-31 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | GNE-371, a Potent and Selective Chemical Probe for the Second Bromodomains of Human Transcription-Initiation-Factor TFIID Subunit 1 and Transcription-Initiation-Factor TFIID Subunit 1-like.
J. Med. Chem., 61, 2018
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6DF7
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