PDB: 42250 件ウェブページステータス検索Chemie searchBIRD

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4JPS	Co-crystal Structures of the Lipid Kinase PI3K alpha with Pan and Isoform Selective Inhibitors 分子名称: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... 著者 Knapp, M.S, Elling, R.A. 登録日 2013-03-19 公開日 2014-04-02 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Discovery of NVP-BYL719 a potent and selective phosphatidylinositol-3 kinase alpha inhibitor selected for clinical evaluation. Bioorg.Med.Chem.Lett., 23, 2013
6S98	Crystal structure of the catalytic domain of UBE2S WT. 分子名称: 1,2-ETHANEDIOL, ACETATE ION, SODIUM ION, ... 著者 Liess, A.K.L, Lorenz, S. 登録日 2019-07-11 公開日 2020-10-21 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Dimerization regulates the human APC/C-associated ubiquitin-conjugating enzyme UBE2S. Sci.Signal., 13, 2020
1QB7	CRYSTAL STRUCTURES OF ADENINE PHOSPHORIBOSYLTRANSFERASE FROM LEISHMANIA DONOVANI. 分子名称: ADENINE, ADENINE PHOSPHORIBOSYLTRANSFERASE, CITRIC ACID, ... 著者 Phillips, C.L, Ullman, B, Brennan, R.G, Hill, C.P. 登録日 1999-04-30 公開日 1999-07-21 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystal structures of adenine phosphoribosyltransferase from Leishmania donovani. EMBO J., 18, 1999
6UOM	Y271G DNA polymerase beta ternary complex with templating adenine and incoming r8-oxo-GTP 分子名称: 1,2-ETHANEDIOL, 2',3'-DIDEOXYCYTIDINE-5'-MONOPHOSPHATE, 8-OXO-GUANOSINE-5'-TRIPHOSPHATE, ... 著者 Smith, M.R, Freudenthal, B.D. 登録日 2019-10-15 公開日 2020-01-08 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Molecular and structural characterization of oxidized ribonucleotide insertion into DNA by human DNA polymerase beta. J.Biol.Chem., 295, 2020
3SPX	Crystal structure of O-Acetyl Serine Sulfhydrylase from Leishmania donovani 分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, O-acetyl serine sulfhydrylase, ... 著者 Raj, I, Gourinath, S. 登録日 2011-07-04 公開日 2012-07-04 最終更新日 2025-03-26 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 The narrow active-site cleft of O-acetylserine sulfhydrylase from Leishmania donovani allows complex formation with serine acetyltransferases with a range of C-terminal sequences Acta Crystallogr.,Sect.D, 68, 2012
4JWM	Ternary complex of D256E mutant of DNA Polymerase Beta 分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... 著者 Batra, V.K, Perera, L, Ping, L, Shock, D.D, Beard, W.A, Pedersen, L.C, Pedersen, L.G, Wilson, S.H. 登録日 2013-03-27 公開日 2013-06-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Amino Acid Substitution in the Active Site of DNA Polymerase beta Explains the Energy Barrier of the Nucleotidyl Transfer Reaction. J.Am.Chem.Soc., 135, 2013
8E74	Mycobacterium tuberculosis RNAP paused elongation complex with NusG transcription factor 分子名称: DNA (54-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... 著者 Delbeau, M, Darst, S.A, Campbell, E.A. 登録日 2022-08-23 公開日 2023-03-22 最終更新日 2025-05-14 実験手法 ELECTRON MICROSCOPY (2.94 Å) 主引用文献 Structural and functional basis of the universal transcription factor NusG pro-pausing activity in Mycobacterium tuberculosis. Mol.Cell, 83, 2023
2CIH	Recombinant human H ferritin, K86Q and E27D mutant, soaked with Zn 分子名称: FERRITIN HEAVY CHAIN, GLYCEROL, ZINC ION 著者 Toussaint, L, Crichton, R.R, Declercq, J.P. 登録日 2006-03-21 公開日 2006-12-13 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 High-Resolution X-Ray Structures of Human Apoferritin H-Chain Mutants Correlated with Their Activity and Metal-Binding Sites. J.Mol.Biol., 365, 2007
1QG7	STROMA CELL-DERIVED FACTOR-1ALPHA (SDF-1ALPHA) 分子名称: STROMAL CELL-DERIVED FACTOR 1 ALPHA, SULFATE ION 著者 Senda, T, Nandhagopal, N, Sugimoto, K, Mitsui, Y. 登録日 1999-04-21 公開日 2001-02-28 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal structure of recombinant native SDF-1alpha with additional mutagenesis studies: an attempt at a more comprehensive interpretation of accumulated structure-activity relationship data. J.Interferon Cytokine Res., 20, 2000
6S9W	Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 16a 分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide 著者 Landel, I, Mueller, M.P, Rauh, D. 登録日 2019-07-15 公開日 2019-10-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity. Angew.Chem.Int.Ed.Engl., 58, 2019
2CEI	Recombinant human H ferritin, K86Q mutant, soaked with Zn 分子名称: FERRITIN HEAVY CHAIN, ZINC ION 著者 Toussaint, L, Crichton, R.R, Declercq, J.P. 登録日 2006-02-07 公開日 2006-12-13 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 High-Resolution X-Ray Structures of Human Apoferritin H-Chain Mutants Correlated with Their Activity and Metal-Binding Sites. J.Mol.Biol., 365, 2007
3LQL	Human Aldose Reductase mutant T113A complexed with IDD 594 分子名称: Aldose reductase, BROMIDE ION, CITRIC ACID, ... 著者 Koch, C, Heine, A, Klebe, G. 登録日 2010-02-09 公開日 2010-12-15 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors J.Mol.Biol., 406, 2011
8E79	Mycobacterium tuberculosis RNAP paused elongation complex with Escherichia coli NusG transcription factor 分子名称: DNA (54-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... 著者 Delbeau, M, Darst, S.A, Campbell, E.A. 登録日 2022-08-23 公開日 2023-03-22 最終更新日 2025-05-28 実験手法 ELECTRON MICROSCOPY (3.71 Å) 主引用文献 Structural and functional basis of the universal transcription factor NusG pro-pausing activity in Mycobacterium tuberculosis. Mol.Cell, 83, 2023
2CF7	Asp74Ala mutant crystal structure for Dps-like peroxide resistance protein Dpr from Streptococcus suis. 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... 著者 Kauko, A, Pulliainen, A.T, Haataja, S, Finne, J, Papageorgiou, A.C. 登録日 2006-02-16 公開日 2006-09-28 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Iron incorporation in Streptococcus suis Dps-like peroxide resistance protein Dpr requires mobility in the ferroxidase center and leads to the formation of a ferrihydrite-like core. J. Mol. Biol., 364, 2006
6SB2	cryo-EM structure of mTORC1 bound to active RagA/C GTPases 分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Ras-related GTP-binding protein A, ... 著者 Anandapadamanaban, M, Berndt, A, Masson, G.R, Perisic, O, Williams, R.L. 登録日 2019-07-18 公開日 2019-10-16 最終更新日 2024-05-22 実験手法 ELECTRON MICROSCOPY (6.2 Å) 主引用文献 Architecture of human Rag GTPase heterodimers and their complex with mTORC1. Science, 366, 2019
8GOD	Co-crystal structure of Human Protein-arginine deiminase type-4 (PAD4) with small molecule inhibitor JBI-589 分子名称: Protein-arginine deiminase type-4, [(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone 著者 Swaminathan, S, Birudukota, S, Vaithilingam, K, Kandan, S, Asaithambi, K, Kathiresan, N, Gosu, R, Rajagopal, S, Sadhu, N. 登録日 2022-08-24 公開日 2023-03-29 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.88 Å) 主引用文献 Alleviation of arthritis through prevention of neutrophil extracellular traps by an orally available inhibitor of protein arginine deiminase 4. Sci Rep, 13, 2023
8E95	Mycobacterium tuberculosis RNAP elongation complex 分子名称: DNA (25-MER), DNA (33-MER), DNA-directed RNA polymerase subunit alpha, ... 著者 Delbeau, M, Darst, S.A, Campbell, E.A. 登録日 2022-08-26 公開日 2023-03-22 最終更新日 2025-05-28 実験手法 ELECTRON MICROSCOPY (2.9 Å) 主引用文献 Structural and functional basis of the universal transcription factor NusG pro-pausing activity in Mycobacterium tuberculosis. Mol.Cell, 83, 2023
6JRS	Structure of RyR2 (*F/A/C/L-Ca2+/Ca2+-CaM dataset) 分子名称: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... 著者 Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N. 登録日 2019-04-05 公開日 2019-07-17 最終更新日 2024-03-27 実験手法 ELECTRON MICROSCOPY (3.7 Å) 主引用文献 Modulation of cardiac ryanodine receptor 2 by calmodulin. Nature, 572, 2019
3SWK	Crystal structure of vimentin coil1B fragment 分子名称: Vimentin 著者 Chernyatina, A.A, Strelkov, S.V. 登録日 2011-07-14 公開日 2012-08-15 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Atomic structure of the vimentin central alpha-helical domain and its implications for intermediate filament assembly. Proc.Natl.Acad.Sci.USA, 109, 2012
6SDT	HUMAN CARBONIC ANHYDRASE VII IN COMPLEX WITH A SULFONAMIDE INHIBITOR 分子名称: Carbonic anhydrase 7, ZINC ION, phenyl-(4-sulfamoylphenoxy)phosphinic acid 著者 Alterio, V, De Simone, G, Esposito, D. 登録日 2019-07-29 公開日 2020-06-10 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy. J.Med.Chem., 63, 2020
8E8M	Mycobacterium tuberculosis RNAP paused elongation complex 分子名称: DNA (54-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... 著者 Delbeau, M, Darst, S.A, Campbell, E.A. 登録日 2022-08-25 公開日 2023-03-22 最終更新日 2025-05-14 実験手法 ELECTRON MICROSCOPY (3.13 Å) 主引用文献 Structural and functional basis of the universal transcription factor NusG pro-pausing activity in Mycobacterium tuberculosis. Mol.Cell, 83, 2023
6JG3	Cryo-EM structure of RyR2 (Ca2+ alone dataset) 分子名称: Ryanodine receptor 2, ZINC ION 著者 Chi, X.M, Gong, D.S, Ren, K, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Zhou, Q, Yan, N. 登録日 2019-02-13 公開日 2019-12-11 最終更新日 2024-03-27 実験手法 ELECTRON MICROSCOPY (6.1 Å) 主引用文献 Molecular basis for allosteric regulation of the type 2 ryanodine receptor channel gating by key modulators. Proc.Natl.Acad.Sci.USA, 116, 2019
2CFY	Crystal structure of human thioredoxin reductase 1 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, THIOREDOXIN REDUCTASE 1 著者 Debreczeni, J.E, Johansson, C, Kavanagh, K, Savitsky, P, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Oppermann, U. 登録日 2006-02-26 公開日 2006-03-09 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystal Structure of Human Thioredoxin Reductase 1 To be Published
4JS6	Crystal structure of inhibitor-free hCAII H94D 分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION 著者 Martin, D.P, Hann, Z.S, Cohen, S.M. 登録日 2013-03-22 公開日 2013-06-19 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site. Inorg.Chem., 52, 2013
8E82	Mycobacterium tuberculosis RNAP elongation complex with NusG transcription factor 分子名称: DNA (54-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... 著者 Delbeau, M, Darst, S.A, Campbell, E.A. 登録日 2022-08-25 公開日 2023-03-22 最終更新日 2025-05-21 実験手法 ELECTRON MICROSCOPY (3.03 Å) 主引用文献 Structural and functional basis of the universal transcription factor NusG pro-pausing activity in Mycobacterium tuberculosis. Mol.Cell, 83, 2023

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