PDB: 46006 件ウェブページステータス検索Chemie searchBIRD

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8CNA	Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA 分子名称: ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase 著者 Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. 登録日 2023-02-22 公開日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.463 Å) 主引用文献 Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA To Be Published
8CND	Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA 分子名称: ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase 著者 Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. 登録日 2023-02-22 公開日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.972 Å) 主引用文献 Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA To Be Published
8CNB	Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A 分子名称: COENZYME A, ZINC ION, histone acetyltransferase 著者 Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. 登録日 2023-02-22 公開日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.986 Å) 主引用文献 Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A To Be Published
8PQQ	Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 E88Q Mutant bound to Clofarabine 分子名称: 2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE, MAGNESIUM ION, Nucleoside 2-deoxyribosyltransferase 著者 Tang, P, Harding, C.J, Czekster, M.C. 登録日 2023-07-11 公開日 2024-02-21 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Snapshots of the Reaction Coordinate of a Thermophilic 2'-Deoxyribonucleoside/ribonucleoside Transferase. Acs Catalysis, 14, 2024
8CO5	The surface-engineered photosensory module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1) in the Pr form with parallel dimer formation 分子名称: 3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Bacteriophytochrome protein, MAGNESIUM ION 著者 Schmidt, A, Sauthof, L, Krauss, N, Scheerer, P. 登録日 2023-02-27 公開日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.42 Å) 主引用文献 Crystal structures of a bacterial phytochrome exhibiting a group-subgroup relationship reveal pronounced flexibility of the photosensory core module in the Pr state To Be Published
8IJ0	Crystal structure of GAS41 YEATS domain in complex with H3K9ac peptide 分子名称: GLYCEROL, Histone H3.1, PENTAETHYLENE GLYCOL, ... 著者 Kikuchi, M, Umehara, T. 登録日 2023-02-24 公開日 2023-11-01 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 GAS41 promotes H2A.Z deposition through recognition of the N terminus of histone H3 by the YEATS domain. Proc.Natl.Acad.Sci.USA, 120, 2023
5F6V	Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol from fragment cocktail screen) 分子名称: 2-(2-hydroxyphenyl)phenol, SUMO-conjugating enzyme UBC9 著者 Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. 登録日 2015-12-07 公開日 2016-04-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.492 Å) 主引用文献 Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
6YXO	Structure of the N-terminal module of the human SWI/SNF-subunit BAF155/SMARCC1 分子名称: SWI/SNF complex subunit SMARCC1 著者 Allen, M.D, Bycroft, M, Zinzalla, G. 登録日 2020-05-03 公開日 2021-04-21 最終更新日 2021-11-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 SWI/SNF subunit BAF155 N-terminus structure informs the impact of cancer-associated mutations and reveals a potential drug binding site. Commun Biol, 4, 2021
6TL4	Photosensory module (PAS-GAF-PHY) of Glycine max phyB 分子名称: PHYCOCYANOBILIN, Phytochrome 著者 Nagano, S, Guan, K, Shenkutie, S.M, Hughes, J.E. 登録日 2019-12-01 公開日 2020-05-06 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural insights into photoactivation and signalling in plant phytochromes. Nat.Plants, 6, 2020
4X5S	The crystal structure of an alpha carbonic anhydrase from the extremophilic bacterium Sulfurihydrogenibium azorense. 分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase (Carbonate dehydratase), ... 著者 De Simone, G, Alterio, V, Di Fiore, A. 登録日 2014-12-05 公開日 2015-05-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Crystal structure of the most catalytically effective carbonic anhydrase enzyme known, SazCA from the thermophilic bacterium Sulfurihydrogenibium azorense. Bioorg.Med.Chem.Lett., 25, 2015
5F36	Crystal structure of the bromodomain of human ATAD2 in complex with Compound A12 分子名称: ATPase family AAA domain-containing protein 2, CHLORIDE ION, SULFATE ION, ... 著者 Dong, J, Caflisch, A. 登録日 2015-12-02 公開日 2016-12-14 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers. Acs Med.Chem.Lett., 11, 2020
6YXP	Higher resolution structure of the N-terminal module of the human SWI/SNF-subunit BAF155/SMARCC1 分子名称: SWI/SNF complex subunit SMARCC1 著者 Allen, M.D, Bycroft, M, Zinzalla, G. 登録日 2020-05-03 公開日 2021-04-21 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 SWI/SNF subunit BAF155 N-terminus structure informs the impact of cancer-associated mutations and reveals a potential drug binding site. Commun Biol, 4, 2021
5IL0	Crystal structural of the METTL3-METTL14 complex for N6-adenosine methylation 分子名称: 1,2-ETHANEDIOL, BROMIDE ION, METTL14, ... 著者 Wang, X, Guan, Z, Zou, T, Yin, P. 登録日 2016-03-04 公開日 2016-05-25 最終更新日 2016-06-29 実験手法 X-RAY DIFFRACTION (1.882 Å) 主引用文献 Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex Nature, 534, 2016
5ILF	The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme and compound 4, a platin(II) compound containing a O, S bidentate ligand 分子名称: ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 Merlino, A, Ferraro, G. 登録日 2016-03-04 公開日 2016-12-07 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance. Dalton Trans, 45, 2016
5WFO	Ligand-bound Ras:SOS:Ras complex 分子名称: 6-chloranyl-~{N}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ... 著者 Sun, Q, Phan, J, Burns, M.C, Fesik, S.W. 登録日 2017-07-12 公開日 2018-05-23 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling. Anal. Biochem., 548, 2018
7LVS	The CBP TAZ1 Domain in Complex with a CITED2-HIF-1-Alpha Fusion Peptide 分子名称: Cbp/p300-interacting transactivator 2,Hypoxia-inducible factor 1-alpha, Histone lysine acetyltransferase CREBBP, ZINC ION 著者 Appling, F.D, Berlow, R.B, Stanfield, R.L, Dyson, H.J, Wright, P.E. 登録日 2021-02-26 公開日 2021-07-28 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 The molecular basis of allostery in a facilitated dissociation process. Structure, 29, 2021
5IRF	Reverse transcriptase domain of group II intron maturase from Roseburia intestinalis in P1 space group 分子名称: POTASSIUM ION, Retron-type reverse transcriptase 著者 Zhao, C, Pyle, A.M. 登録日 2016-03-13 公開日 2016-05-04 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structures of a group II intron maturase reveal a missing link in spliceosome evolution. Nat.Struct.Mol.Biol., 23, 2016
5F6X	Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole from cocktail screen) 分子名称: 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione, SUMO-conjugating enzyme UBC9 著者 Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. 登録日 2015-12-07 公開日 2016-04-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
5IL1	Crystal structure of SAM-bound METTL3-METTL14 complex 分子名称: 1,2-ETHANEDIOL, METTL14, METTL3, ... 著者 Wang, X, Guan, Z, Zou, T, Yin, P. 登録日 2016-03-04 公開日 2016-05-25 最終更新日 2016-06-29 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex Nature, 534, 2016
3TN9	X-ray structure of the HRV2 empty capsid (B-particle) 分子名称: Protein VP1, Protein VP2, Protein VP3 著者 Garriga, D, Pickl-Herk, A, Luque, D, Wruss, J, Caston, J.R, Blaas, D, Verdaguer, N. 登録日 2011-09-01 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Insights into minor group rhinovirus uncoating: the X-ray structure of the HRV2 empty capsid. Plos Pathog., 8, 2012
5F6E	Crystal Structure of human Ubc9 (K48A/K49A/E54A) 分子名称: 1,2-ETHANEDIOL, SUMO-conjugating enzyme UBC9 著者 Lountos, G.T, Hewitt, W.M, Zlotkowski, Z, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. 登録日 2015-12-05 公開日 2016-04-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
5F6U	Crystal Structure of Ubc9 (K48A/K49A/E54A) complexed with Fragment 8 (JSS190B146) 分子名称: SUMO-conjugating enzyme UBC9, ethyl 3-[4-(2-hydroxyphenyl)-3-oxidanyl-phenyl]propanoate 著者 Lountos, G.T, Hewitt, W.M, Zlotkowski, Z, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. 登録日 2015-12-07 公開日 2016-04-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.552 Å) 主引用文献 Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
6U2G	BRAF-MEK complex with AMP-PCP bound to BRAF 分子名称: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... 著者 Liau, N.P.D, Wendorff, T, Hymowitz, S, Sudhamsu, J. 登録日 2019-08-19 公開日 2019-08-28 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.886 Å) 主引用文献 Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization. Nat.Struct.Mol.Biol., 27, 2020
3F0T	Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with N-methyl-DHBT 分子名称: N-Methyl-6-(1,3-dihydroxy-isobutyl)thymine, SULFATE ION, Thymidine kinase 著者 Pernot, L, Perozzo, R, Westermaier, Y, Martic, M, Ametamey, S, Scapozza, L. 登録日 2008-10-26 公開日 2009-11-03 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Synthesis, crystal structure, and in vitro biological evaluation of C-6 pyrimidine derivatives: new lead structures for monitoring gene expression in vivo. Nucleosides Nucleotides Nucleic Acids, 30, 2011
5IL2	Crystal structure of SAH-bound METTL3-METTL14 complex 分子名称: 1,2-ETHANEDIOL, METTL14, METTL3, ... 著者 Wang, X, Guan, Z, Zou, T, Yin, P. 登録日 2016-03-04 公開日 2016-05-25 最終更新日 2016-06-29 実験手法 X-RAY DIFFRACTION (1.606 Å) 主引用文献 Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex Nature, 534, 2016

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