PDB: 243531 件ウェブページステータス検索Chemie searchBIRD

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7LRO	Crystal structure of BPTF bromodomain in complex with inhibitor HZ-01-105 分子名称: 1,2-ETHANEDIOL, 5-(azetidin-3-ylamino)-4-chloranyl-2-methyl-pyridazin-3-one, DIMETHYL SULFOXIDE, ... 著者 Chan, A, Schonbrunn, E. 登録日 2021-02-17 公開日 2022-08-10 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
7LPK	Crystal structure of BPTF bromodomain in complex with inhibitor HZ-03-112 分子名称: 1,2-ETHANEDIOL, 4-chloranyl-2-methyl-5-[[(3~{R})-pyrrolidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF 著者 Chan, A, Schonbrunn, E. 登録日 2021-02-12 公開日 2022-08-10 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
7TL5	Crystal structure of putative hydrolase yjcS from Klebsiella pneumoniae. 分子名称: 1,2-ETHANEDIOL, Lactamase_B domain-containing protein 著者 Chang, C, Endres, M, Wu, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2022-01-18 公開日 2022-02-02 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
9CTU	Cryo-EM structure of SARS-CoV-2 M (short conformation)bound to C1P 分子名称: (2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Membrane protein, POTASSIUM ION, ... 著者 Dolan, K.A, Brohawn, S.G. 登録日 2024-07-25 公開日 2024-11-06 最終更新日 2025-05-28 実験手法 ELECTRON MICROSCOPY (3.03 Å) 主引用文献 Direct lipid interactions control SARS-CoV-2 M protein conformational dynamics and virus assembly. Biorxiv, 2024
5VFN	Crystal structure of BnSP-7 from Bothrops pauloensis complexed with cinnamic acid 分子名称: 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, Basic phospholipase A2 homolog BnSP-7, HYDROCINNAMIC ACID, ... 著者 De Lima, L.F.G, Fontes, M.R.M. 登録日 2017-04-08 公開日 2017-12-27 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.389 Å) 主引用文献 Structural studies with BnSP-7 reveal an atypical oligomeric conformation compared to phospholipases A2-like toxins. Biochimie, 142, 2017
5IGK	Crystal structure of the first bromodomain of human BRD4 in complex with bromosporine (BSP) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Bromosporine 著者 Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2016-02-28 公開日 2016-10-19 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia. Sci Adv, 2, 2016
4MC3	Hedycaryol synthase in complex with Nerolidol 分子名称: (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol, Putative sesquiterpene cyclase 著者 Baer, P, Rabe, P, Cirton, C, Oliveira Mann, C, Kaufmann, N, Groll, M, Dickschat, J. 登録日 2013-08-21 公開日 2014-01-29 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Hedycaryol synthase in complex with nerolidol reveals terpene cyclase mechanism. Chembiochem, 15, 2014
9CLO	DosP R97A with c-di-GMP 分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, Oxygen sensor protein DosP, ... 著者 Kumar, P, Kober, D.L. 登録日 2024-07-11 公開日 2024-11-20 最終更新日 2025-05-14 実験手法 ELECTRON MICROSCOPY (3.1 Å) 主引用文献 Structures of the multi-domain oxygen sensor DosP: remote control of a c-di-GMP phosphodiesterase by a regulatory PAS domain. Nat Commun, 15, 2024
8VXX	Mango II bound to 365A-061 分子名称: 3-[2-({[(6P)-2-fluoro-6-(1H-pyrazol-1-yl)phenyl]methyl}amino)-2-oxoethyl]-2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium, Chains: A,B,C, POTASSIUM ION 著者 Passalacqua, L.F.M, Ferre-D'Amare, A.R, Schneekloth, J.S. 登録日 2024-02-06 公開日 2025-02-19 最終更新日 2025-10-08 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structure-informed design of an ultrabright RNA-activated fluorophore. Nat.Chem., 17, 2025
8VY0	Mango II bound to 365A-087 分子名称: 2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-3-[2-oxo-2-({[(2P)-2-(1H-pyrazol-1-yl)phenyl]methyl}amino)ethyl]-1,3-benzothiazol-3-ium, Chains: A,B,C, POTASSIUM ION 著者 Passalacqua, L.F.M, Ferre-D'Amare, A.R, Schneekloth, J.S. 登録日 2024-02-06 公開日 2025-02-19 最終更新日 2025-10-08 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structure-informed design of an ultrabright RNA-activated fluorophore. Nat.Chem., 17, 2025
5IDQ	Crystal structure of a Short-chain dehydrogenase/reductase (SDR)from Burkholderia vietnamiensis at 1.55 A resolution 分子名称: Short-chain dehydrogenase/reductase SDR 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2016-02-24 公開日 2016-05-04 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Crystal structure of a Short-chain dehydrogenase/reductase (SDR)from Burkholderia vietnamiensis at 1.55 A resolution to be published
3GPI	Structure of putative NAD-dependent epimerase/dehydratase from methylobacillus flagellatus 分子名称: 1,2-ETHANEDIOL, NAD-dependent epimerase/dehydratase 著者 Ramagopal, U.A, Morano, C, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) 登録日 2009-03-23 公開日 2009-04-21 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Structure of putative NAD-dependent epimerase/dehydratase from methylobacillus flagellatus To be published
1KHI	CRYSTAL STRUCTURE OF HEX1 分子名称: Hex1 著者 Yuan, P, Swaminathan, K. 登録日 2001-11-30 公開日 2002-11-30 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 A HEX-1 crystal lattice required for Woronin body function in Neurospora crassa NAT.STRUCT.BIOL., 10, 2003
8VXZ	Mango II bound to 365A-084 分子名称: 3-[2-(benzylamino)-2-oxoethyl]-2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium, Chains: A,B,C, POTASSIUM ION 著者 Passalacqua, L.F.M, Ferre-D'Amare, A.R, Schneekloth, J.S. 登録日 2024-02-06 公開日 2025-02-19 最終更新日 2025-10-08 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structure-informed design of an ultrabright RNA-activated fluorophore. Nat.Chem., 17, 2025
8VY1	Mango II bound to 365A-088 分子名称: 3-(2-{[(2-fluorophenyl)methyl]amino}-2-oxoethyl)-2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium, Chains: A,B,C, POTASSIUM ION 著者 Passalacqua, L.F.M, Ferre-D'Amare, A.R, Schneekloth, J.S. 登録日 2024-02-06 公開日 2025-02-19 最終更新日 2025-10-08 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structure-informed design of an ultrabright RNA-activated fluorophore. Nat.Chem., 17, 2025
1SIZ	Crystal structure of the [Fe3S4]-ferredoxin from the hyperthermophilic archaeon Pyrococcus furiosus 分子名称: COBALT (III) ION, FE3-S4 CLUSTER, Ferredoxin 著者 Nielsen, M.S, Harris, P, Christensen, H.E.M. 登録日 2004-03-02 公開日 2004-05-25 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 The 1.5 A Resolution Crystal Structure of [Fe3S4]-Ferredoxin from the Hyperthermophilic Archaeon Pyrococcus furiosus Biochemistry, 43, 2004
3GSJ	A Bulky Rhodium Complex Bound to an Adenosine-Adenosine DNA Mismatch 分子名称: 5'-D(*CP*GP*GP*AP*AP*AP*TP*TP*AP*CP*CP*G)-3', CHLORIDE ION, SODIUM ION, ... 著者 Zeglis, B.M, Pierre, V.C, Kaiser, J.T, Barton, J.K. 登録日 2009-03-27 公開日 2009-05-19 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 A bulky rhodium complex bound to an adenosine-adenosine DNA mismatch: general architecture of the metalloinsertion binding mode Biochemistry, 48, 2009
5VEV	Crystal Structure of Phosphoribosylamine-glycine Ligase from Neisseria gonorrhoeae 分子名称: 1,2-ETHANEDIOL, ACETATE ION, Phosphoribosylamine--glycine ligase, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2017-04-05 公開日 2017-04-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal Structure of Phosphoribosylamine-glycine Ligase from Neisseria gonorrhoeae To be Published
5IS5	Discovery and Pharmacological Characterization of Novel Quinazoline-based PI3K delta-selective Inhibitors 分子名称: 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 著者 Gutmann, S, Rummel, G, Shrestha, B. 登録日 2016-03-15 公開日 2016-08-10 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors. Acs Med.Chem.Lett., 7, 2016
9CMF	Substrate bound DosP 分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, OXYGEN MOLECULE, ... 著者 Kumar, P, Kober, D.L. 登録日 2024-07-15 公開日 2024-11-20 最終更新日 2024-11-27 実験手法 ELECTRON MICROSCOPY (3.11 Å) 主引用文献 Structures of the multi-domain oxygen sensor DosP: remote control of a c-di-GMP phosphodiesterase by a regulatory PAS domain. Nat Commun, 15, 2024
2XP2	Structure of the Human Anaplastic Lymphoma Kinase in Complex with Crizotinib (PF-02341066) 分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, TYROSINE-PROTEIN KINASE RECEPTOR 著者 McTigue, M, Deng, Y, Liu, W, Brooun, A, Timofeevski, S, Marrone, T, Cui, J.J. 登録日 2010-08-24 公開日 2010-09-15 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure Based Drug Design of Crizotinib (Pf-02341066), a Potent and Selective Dual Inhibitor of Mesenchymal-Epithelial Transition Factor (C-met) Kinase and Anaplastic Lymphoma Kinase (Alk). J.Med.Chem, 54, 2011
5VW8	NADP+ soak of Y316S mutant of corn root ferredoxin:NADP+ reductase in alternate space group 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, MAGNESIUM ION, ... 著者 Kean, K.M, Carpenter, R.A, Hall, A.R, Karplus, P.A. 登録日 2017-05-21 公開日 2017-08-23 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.808 Å) 主引用文献 High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily. FEBS J., 284, 2017
4DN5	Crystal Structure of NF-kB-inducing Kinase (NIK) 分子名称: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... 著者 Min, X, Liu, J, Sudom, A, Walker, N.P, Wang, Z. 登録日 2012-02-08 公開日 2012-06-27 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure of Nuclear Factor Kappa B-inducing kinase domain reveals a constitutively active conformation J.Biol.Chem., 287, 2012
2Y54	Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Fragment 1) 分子名称: CHLORIDE ION, SOLUBLE ACETYLCHOLINE RECEPTOR, SULFATE ION, ... 著者 Rucktooa, P, Edink, E, deEsch, I.J.P, Sixma, T.K. 登録日 2011-01-12 公開日 2011-06-15 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (3.65 Å) 主引用文献 Fragment Growing Induces Conformational Changes in Acetylcholine-Binding Protein: A Structural and Thermodynamic Analysis. J.Am.Chem.Soc., 133, 2011
7ATL	EstCE1, a hydrolase with promiscuous acyltransferase activity 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Esterase, ... 著者 Palm, G.J, Lammers, M, Berndt, L. 登録日 2020-10-30 公開日 2020-11-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.478 Å) 主引用文献 Discovery and Design of Family VIII Carboxylesterases as Highly Efficient Acyltransferases. Angew.Chem.Int.Ed.Engl., 60, 2021

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