PDB: 10530 件ウェブページステータス検索Chemie searchBIRD

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8Q4N	Crystal structure of YTHDC1 in complex with Compound 26 (ZA_513) 分子名称: 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzenecarbonitrile, SULFATE ION, YTH domain-containing protein 1 著者 Bedi, R.K, Zalesak, F, Caflisch, A. 登録日 2023-08-07 公開日 2023-12-06 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Structure-Based Design of a Potent and Selective YTHDC1 Ligand. J.Med.Chem., 67, 2024
6T8P	HKATII IN COMPLEX WITH LIGAND (2R)-N-benzyl-1-[6-methyl-5-(oxan-4-yl)-7-oxo-6H,7H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide 分子名称: 1,2-ETHANEDIOL, 3,5-bis(fluoranyl)-~{N}-[5-[(2~{R})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide, IODIDE ION, ... 著者 Blaesse, M, Venalainen, J. 登録日 2019-10-24 公開日 2020-03-04 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Discovery of sulfonamides and 9-oxo-2,8-diazaspiro[5,5]undecane-2-carboxamides as human kynurenine aminotransferase 2 (KAT2) inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
6WYV	E. coli 50S ribosome bound to compounds 47 and VS1 分子名称: (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, 23S ribosomal RNA, 50S ribosomal protein L13, ... 著者 Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. 登録日 2020-05-13 公開日 2020-06-17 最終更新日 2024-07-10 実験手法 ELECTRON MICROSCOPY (2.75 Å) 主引用文献 Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
6TB0	Crystal structure of thermostable omega transaminase 4-fold mutant from Pseudomonas jessenii 分子名称: Aspartate aminotransferase family protein, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... 著者 Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B. 登録日 2019-10-31 公開日 2020-07-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Robust omega-Transaminases by Computational Stabilization of the Subunit Interface. Acs Catalysis, 10, 2020
5JGQ	X-ray structure of neuropilin-1 b1 domain complexed with Arg-7 ligand. 分子名称: DIMETHYL SULFOXIDE, Neuropilin-1, N~2~-(benzenecarbonyl)-L-arginine 著者 Fotinou, C, Rana, R, Djordjevic, S, Yelland, T. 登録日 2016-04-20 公開日 2017-05-10 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Architecture and hydration of the arginine-binding site of neuropilin-1. FEBS J., 285, 2018
6FZ5	Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound 分子名称: 4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ... 著者 Kersten, F.C, Brenk, R. 登録日 2018-03-14 公開日 2019-03-27 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System. J.Med.Chem., 63, 2020
8VTT	Meis1 homeobox domain bound to neomycin fragment 分子名称: Homeobox protein Meis1, RIBOSTAMYCIN, SULFATE ION 著者 Tomchick, D.R, Ahmed, M.S, Nguyen, N.U.N, Sadek, H.A. 登録日 2024-01-27 公開日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Identification of FDA-Approved Drugs That Induce Heart Regeneration in Mammals to be published
8VTS	Meis1 homeobox domain bound to paromomycin fragment 分子名称: 1,2-ETHANEDIOL, Homeobox protein Meis1, ISOPROPYL ALCOHOL, ... 著者 Tomchick, D.R, Ahmed, M.S, Nguyen, N.U.N. 登録日 2024-01-27 公開日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Identification of FDA-Approved Drugs That Induce Heart Regeneration in Mammals to be published
2NVO	Crystal structure of Deinococcus radiodurans RO (RSR) protein 分子名称: CALCIUM ION, Ro sixty-related protein, RSR 著者 Ramesh, A, Sacchettini, J.C. 登録日 2006-11-13 公開日 2007-03-27 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Crystal structure of Rsr, an ortholog of the antigenic Ro protein, links conformational flexibility to RNA binding activity. J.Biol.Chem., 282, 2007
1XR3	Actinorhodin Polyketide Ketoreductase with NADP and the Inhibitor Isoniazid bound 分子名称: 4-(DIAZENYLCARBONYL)PYRIDINE, ACTINORHODIN POLYKETIDE KETOREDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Korman, T.P, Hill, J.A, Vu, T.N, Tsai, S.C. 登録日 2004-10-13 公開日 2005-09-27 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.71 Å) 主引用文献 Structural analysis of actinorhodin polyketide ketoreductase: cofactor binding and substrate specificity. Biochemistry, 43, 2004
6FZ3	Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound 分子名称: 2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ... 著者 Kersten, F.C, Brenk, R. 登録日 2018-03-13 公開日 2019-03-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System. J.Med.Chem., 63, 2020
6CFC	Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Bulgecin A 分子名称: 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, Lytic transglycosylase, SULFATE ION 著者 van den Akker, F, Kumar, V. 登録日 2018-02-14 公開日 2018-05-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Structural studies and molecular dynamics simulations suggest a processive mechanism of exolytic lytic transglycosylase from Campylobacter jejuni. PLoS ONE, 13, 2018
1XXJ	Urate oxidase from aspergillus flavus complexed with 5-amino 6-nitro uracil 分子名称: 5-AMINO-6-NITROPYRIMIDINE-2,4(1H,3H)-DIONE, BENZENE, Uricase 著者 Retailleau, P, Colloc'h, N, Vivares, D, Bonnete, F, Castro, B, El Hajji, M, Prange, T. 登録日 2004-11-05 公開日 2005-03-22 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Urate oxidase from Aspergillus flavus: new crystal-packing contacts in relation to the content of the active site. Acta Crystallogr.,Sect.D, 61, 2005
4YHO	Reversal Agent for Dabigatran 分子名称: N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, aDabi-Fab3 heavy chain, aDabi-Fab3 light chain 著者 Schiele, F, Nar, H. 登録日 2015-02-27 公開日 2016-01-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Structure-guided residence time optimization of a dabigatran reversal agent. Mabs, 7, 2015
7BPV	r(GUGGGCCGAC)/d(GTCGGCCCAC) hybrid duplex structure 分子名称: DNA (5'-D(P*GP*TP*CP*GP*GP*CP*CP*CP*AP*C)-3'), RNA (5'-R(P*GP*UP*GP*GP*GP*CP*CP*GP*AP*C)-3'), SULFATE ION 著者 Wang, S.C, Satange, R.B, Hou, M.H. 登録日 2020-03-23 公開日 2021-03-03 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.781 Å) 主引用文献 Targeting the ALS/FTD-associated A-DNA kink with anthracene-based metal complex causes DNA backbone straightening and groove contraction. Nucleic Acids Res., 49, 2021
8J6T	Cryo-EM structure of the double CAF-1 bound right-handed Di-tetrasome 分子名称: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ... 著者 Liu, C.P, Yu, Z.Y, Xu, R.M. 登録日 2023-04-26 公開日 2023-08-16 最終更新日 2023-09-06 実験手法 ELECTRON MICROSCOPY (6.6 Å) 主引用文献 Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1. Science, 381, 2023
8J6S	Cryo-EM structure of the single CAF-1 bound right-handed Di-tetrasome 分子名称: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ... 著者 Liu, C.P, Yu, Z.Y, Xu, R.M. 登録日 2023-04-26 公開日 2023-08-16 最終更新日 2023-09-06 実験手法 ELECTRON MICROSCOPY (3.8 Å) 主引用文献 Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1. Science, 381, 2023
6G4B	Crystal structure of the omega transaminase from Pseudomonas jessenii in the apo form, crystallized from succinate 分子名称: Aspartate aminotransferase family protein, GLYCEROL, SUCCINIC ACID 著者 Rozeboom, H.J, Janssen, D.B. 登録日 2018-03-27 公開日 2019-04-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Biochemical properties of a Pseudomonas aminotransferase involved in caprolactam metabolism. Febs J., 286, 2019
6BRW	JAK2 JH2 in complex with XMU-MP-1 分子名称: 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, ACETATE ION, GLYCEROL, ... 著者 Puleo, D.E, Schlessinger, J. 登録日 2017-12-01 公開日 2018-08-15 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.031 Å) 主引用文献 JAK2 JH2 Binders To Be Published
8C05	LOV-activated diguanylate cyclase, dark-state structure 分子名称: DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, ... 著者 Vide, U, Winkler, A. 登録日 2022-12-15 公開日 2023-07-19 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Illuminating the inner workings of a natural protein switch: Blue-light sensing in LOV-activated diguanylate cyclases. Sci Adv, 9, 2023
5JMZ	Carbonic Anhydrase IX-mimic IN Complex WITH U-NO2 分子名称: 4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 McKenna, R, Mboge, M.Y, Mahon, B.P. 登録日 2016-04-29 公開日 2017-05-03 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Carbonic Anhydrase IX-mimic IN Complex WITH U-NO2 To Be Published
2OJU	X-ray structure of complex of human cyclophilin J with cyclosporin A 分子名称: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE-LIKE 3 著者 Xia, Z, Huang, L. 登録日 2007-01-14 公開日 2008-01-22 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Targeting Cyclophilin J, a Novel Peptidyl-Prolyl Isomerase, Can Induce Cellular G1/S Arrest and Repress the Growth of Hepatocellular Carcinoma To be Published
4NB6	Crystal structure of the ligand binding domain of RORC with T0901317 分子名称: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Nuclear receptor ROR-gamma 著者 Hymowitz, S.G, Boenig-de Leon, G. 登録日 2013-10-22 公開日 2013-11-27 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Structure-based design of substituted hexafluoroisopropanol-arylsulfonamides as modulators of RORc. Bioorg.Med.Chem.Lett., 23, 2013
8BM5	Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 7 分子名称: 14-3-3 protein sigma, 4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide, CHLORIDE ION, ... 著者 Somsen, B.A, Ottmann, C. 登録日 2022-11-10 公開日 2023-03-29 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach. J.Am.Chem.Soc., 145, 2023
3BLQ	Crystal Structure of Human CDK9/cyclinT1 in Complex with ATP 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Cell division protein kinase 9, ... 著者 Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N. 登録日 2007-12-11 公開日 2008-07-01 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation Embo J., 27, 2008

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