PDB: 66507 件ウェブページステータス検索Chemie searchBIRD

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4L7Y	Deoxygenated Hb in complex with the allosteric effectors, IRL2500 and 2,3-DPG 分子名称: (2R)-2,3-diphosphoglyceric acid, (2R)-2-({(2S)-3-(biphenyl-4-yl)-2-[(3,5-dimethylbenzoyl)(methyl)amino]propanoyl}amino)-3-(1H-indol-3-yl)propanoic acid (non-preferred name), Hemoglobin subunit alpha, ... 著者 Safo, M.K, Chowdhury, N. 登録日 2013-06-14 公開日 2013-07-03 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Novel small molecule modulators of human hemoglobin oxygen binding identified by small molecule microarray screening To be Published
8FNX	Crystal structure of Hyaluronate lyase B from Cutibacterium acnes 分子名称: GLYCEROL, Hyaluronate lyase, PHOSPHATE ION 著者 Katiki, M, McNally, R, Chatterjee, A, Hajam, I.A, Liu, G.Y, Murali, R. 登録日 2022-12-28 公開日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Functional divergence of a bacterial enzyme promotes healthy or acneic skin. Nat Commun, 14, 2023
8G0O	Crystal structure of Y281F mutant of Hyaluronate lyase B from Cutibacterium acnes 分子名称: Hyaluronate lyase 著者 Katiki, M, McNally, R, Chatterjee, A, Hajam, I.A, Liu, G.Y, Murali, R. 登録日 2023-02-01 公開日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Functional divergence of a bacterial enzyme promotes healthy or acneic skin. Nat Commun, 14, 2023
4BHX	Crystal structure of the SCAN domain from human paternally expressed gene 3 protein 分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PATERNALLY-EXPRESSED GENE 3 PROTEIN, ... 著者 Rimsa, V, Eadsforth, T.C, Hunter, W.N. 登録日 2013-04-09 公開日 2013-04-17 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structure of the Scan Domain of Human Paternally Expressed Gene 3 Protein. Plos One, 8, 2013
8FL5	Crystal Structure of Enterovirus 68 3C Protease inactive mutant C147A at 1.8 Angstroms. 分子名称: 3C Protease 著者 Azzolino, V.N, Shaqra, A.M, Schiffer, C.A. 登録日 2022-12-21 公開日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structure of Enterovirus 68 3C Protease inactive mutant C147A at 1.8 Angstroms. To Be Published
8FTA	Crystal Structure of the second bromodomain of human Polybromo-1 (PB1) in complex with compound 16 分子名称: (2S)-5-chloro-2-(3-methylphenyl)-2,3-dihydroquinazolin-4(1H)-one, Protein polybromo-1, ZINC ION 著者 Nunez, R, Smith, B.C. 登録日 2023-01-11 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Crystal Structure of the second bromodomain of human Polybromo-1 (PB1) in complex with compound 16 To Be Published
4LCF	Crystal structure of the Pseudomonas aeruginosa LPXC/LPC-014 complex 分子名称: NITRATE ION, Nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N-hydroxy-L-histidinamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... 著者 Lee, C.-J, Zhou, P. 登録日 2013-06-21 公開日 2013-08-21 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.599 Å) 主引用文献 Synthesis, Structure, and Antibiotic Activity of Aryl-Substituted LpxC Inhibitors. J.Med.Chem., 56, 2013
4BI8	Crystal structure of the type VI effector-immunity complex Ssp1-Rap1a from Serratia marcescens 分子名称: RAP1A, SSSP1 著者 Srikannathasan, V, Coulthurst, S.J, Hunter, W.N. 登録日 2013-04-09 公開日 2013-06-19 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural Basis for Type Vi Secreted Peptidoglycan Dl-Endopeptidase Function, Specificity and Neutralization in Serratia Marcescens Acta Crystallogr.,Sect.D, 69, 2013
4BI3	Structure and function of amidase toxin - antitoxin combinations associated with the type VI secretion system of Serratia marcescens. 分子名称: POTASSIUM ION, SSP1, SULFATE ION 著者 Srikannathasan, V, English, G, Bui, N.K, Trunk, K, Rourke, P.E.F.O, Rao, V.A, Vollmer, W, Coulthurst, S.J, Hunter, W.N. 登録日 2013-04-09 公開日 2013-06-19 最終更新日 2013-12-18 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural Basis for Type Vi Secreted Peptidoglycan Dl-Endopeptidase Function, Specificity and Neutralization in Serratia Marcescens Acta Crystallogr.,Sect.D, 69, 2013
4LW3	Crystal structure of the Drosophila beta1,4galactosyltransferase7 catalytic domain D211N single mutant enzyme complex with manganese and UDP-galactose 分子名称: Beta-4-galactosyltransferase 7, GALACTOSE-URIDINE-5'-DIPHOSPHATE, MANGANESE (II) ION 著者 Ramakrishnan, B, Qasba, P.K. 登録日 2013-07-26 公開日 2013-09-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structures of beta-1,4-Galactosyltransferase 7 Enzyme Reveal Conformational Changes and Substrate Binding. J.Biol.Chem., 288, 2013
8FV2	Bromodomain of CBP liganded with CCS-1477 分子名称: (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein, ... 著者 Schonbrunn, E, Bikowitz, M. 登録日 2023-01-18 公開日 2024-02-07 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition. Nat Commun, 15, 2024
4M4K	Crystal structure of the Drosphila beta,14galactosyltransferase 7 mutant D211N complex with manganese, UDP-Gal and xylobiose 分子名称: Beta-4-galactosyltransferase 7, CHLORIDE ION, GALACTOSE-URIDINE-5'-DIPHOSPHATE, ... 著者 Ramakrishnan, B, Qasba, P.K. 登録日 2013-08-07 公開日 2013-09-25 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal Structures of beta-1,4-Galactosyltransferase 7 Enzyme Reveal Conformational Changes and Substrate Binding. J.Biol.Chem., 288, 2013
8FJ8	Crystal structure of Mn(2+),Ca(2+)-S100B 分子名称: CALCIUM ION, MANGANESE (II) ION, Protein S100-B 著者 Hunter, D.A. 登録日 2022-12-19 公開日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.17 Å) 主引用文献 Structural insights into ions binding to S100A1 versus S100B To Be Published
4EE0	Crystal structure of hH-PGDS with water displacing inhibitor 分子名称: 4-(isoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide, Hematopoietic prostaglandin D synthase, L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE, ... 著者 Day, J.E, Thorarensen, A, Trujillo, J.I. 登録日 2012-03-28 公開日 2012-07-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters. Bioorg.Med.Chem.Lett., 22, 2012
8TBT	Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator Compound 2 分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MANGANESE (II) ION, POTASSIUM ION, ... 著者 Jin, L, Padyana, A. 登録日 2023-06-29 公開日 2023-12-27 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Structure-Based Design of AG-946, a Pyruvate Kinase Activator. Chemmedchem, 19, 2024
8TBU	Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator Compound 12 分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-[(4-hydroxyphenyl)methyl]-2,4-dimethyl-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one, MANGANESE (II) ION, ... 著者 Jin, L, Padyana, A. 登録日 2023-06-29 公開日 2023-12-27 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structure-Based Design of AG-946, a Pyruvate Kinase Activator. Chemmedchem, 19, 2024
8TBS	Structure of human erythrocyte pyruvate kinase in complex with an allosteric activator AG-946 分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-[(6-aminopyridin-2-yl)methyl]-4-methyl-2-[(1H-pyrazol-3-yl)methyl]-4,6-dihydro-5H-[1,3]thiazolo[5',4':4,5]pyrrolo[2,3-d]pyridazin-5-one, MANGANESE (II) ION, ... 著者 Jin, L, Padyana, A. 登録日 2023-06-29 公開日 2023-12-27 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structure-Based Design of AG-946, a Pyruvate Kinase Activator. Chemmedchem, 19, 2024
4M2X	Mycobacterium tuberculosis dihydrofolate reductase complexed with trimetrexate (TMQ) 分子名称: ACETATE ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Jung, H, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) 登録日 2013-08-05 公開日 2014-11-12 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 Selective inhibitors for dihydrofolate reductase from mycobacterium tuberculosis To be Published
4M6N	Crystal structure of anti-IL-23 antibody CNTO1959 at pH 6.5 分子名称: CNTO1959 heavy chain, CNTO1959 light chain, FORMIC ACID 著者 Teplyakov, A, Obmolova, G, Gilliland, G.L. 登録日 2013-08-09 公開日 2014-08-13 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 crystal structure of anti-IL-23 antibody CNTO1959 at pH 6.5 To be Published
4EE4	Crystal structure of human M340H-beta-1,4-galactosyltransferase-1 (M340H-B4GAL-T1) in complex with tetrasaccharide from Lacto-N-neohexose 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Beta-1,4-galactosyltransferase 1, GLYCEROL, ... 著者 Ramakrishnan, B, Qasba, P.K. 登録日 2012-03-28 公開日 2012-07-04 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Binding of N-acetylglucosamine (GlcNAc) beta 1-6-branched oligosaccharide acceptors to beta 4-galactosyltransferase I reveals a new ligand binding mode. J.Biol.Chem., 287, 2012
4EEO	Crystal structure of human M340H-beta-1,4-galactosyltransferase-1 (M340H-B4GAL-T1) in complex with GLCNAC-BETA1,6-GlcNAc-ALPHA-benzyl 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-benzyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside, Beta-1,4-galactosyltransferase 1, GLYCEROL, ... 著者 Ramakrishnan, B, Qasba, P.K. 登録日 2012-03-28 公開日 2012-07-04 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Binding of N-acetylglucosamine (GlcNAc) beta 1-6-branched oligosaccharide acceptors to beta 4-galactosyltransferase I reveals a new ligand binding mode. J.Biol.Chem., 287, 2012
4BBX	Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia 分子名称: 4-[3-[1-[(2S)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... 著者 Bartolome-Nebreda, J.M, Conde-Ceide, S, Delgado, F, Martin, M.L, Martinez-Viturro, C.M, Pastor, J, Tong, H.M, Iturrino, L, Macdonald, G.J, Sanderson, W, Megens, A, Langlois, X, Somers, M, Vanhoof, G. 登録日 2012-09-28 公開日 2013-10-16 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Discovery of a Potent, Selective and Orally Active Pde10A Inhibitor for the Potential Treatment of Schizophrenia. J.Med.Chem., 57, 2014
3NAF	Structure of the Intracellular Gating Ring from the Human High-conductance Ca2+ gated K+ Channel (BK Channel) 分子名称: Calcium-activated potassium channel subunit alpha-1,Calcium-activated potassium channel subunit alpha-1,Calcium-activated potassium channel subunit alpha-1 著者 Wu, Y, Yang, Y, Ye, S, Jiang, Y. 登録日 2010-06-01 公開日 2010-06-30 最終更新日 2017-06-21 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structure of the gating ring from the human large-conductance Ca(2+)-gated K(+) channel. Nature, 466, 2010
4M1K	Crystal structure of elongation factor G (EFG) 分子名称: Elongation factor G, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION 著者 Liu, G, Dong, J, Gong, W, Qin, Y. 登録日 2013-08-02 公開日 2014-08-06 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.952 Å) 主引用文献 Crystal structure of elongation factor G (EFG) To be published
2YCG	Structure of unreduced ferric cytochrome c peroxidase obtained by multicrystal method 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, ... 著者 Gumiero, A, Raven, E.L, Moody, P.C.E. 登録日 2011-03-14 公開日 2011-03-30 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Hydrogen Bonds in Ferric Cytochrome C Peroxidase: A Combined X-Ray and Neutron Study To be Published

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