PDB: 30867 件ウェブページステータス検索Chemie searchBIRD

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5IL3	Tobacco 5-epi-aristolochene synthase with MOPSO buffer molecule and Mg2+ ions 分子名称: (2R)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid, (2S)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid, 5-epi-aristolochene synthase, ... 著者 Koo, H.J, Louie, G.V, Xu, Y, Bowman, M, Noel, J.P. 登録日 2016-03-04 公開日 2017-03-08 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme To Be Published
5WGC	propionyl-DpsC in complex with oxetane-bearing probe 分子名称: (3-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}oxetan-3-yl)acetic acid, Daunorubicin-doxorubicin polyketide synthase 著者 Milligan, J.C, Ellis, B.D, White, A.R, Vanderwal, C.D, Tsai, S.C. 登録日 2017-07-13 公開日 2018-04-18 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 An Oxetane-Based Polyketide Surrogate To Probe Substrate Binding in a Polyketide Synthase. J. Am. Chem. Soc., 140, 2018
5ILH	Tobacco 5-epi-aristolochene synthase with CAPSO buffer molecule and Ca2+ ions 分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 5-epi-aristolochene synthase, ... 著者 Koo, H.J, Louie, G.V, Xu, Y, Bowman, M, Noel, J.P. 登録日 2016-03-04 公開日 2017-03-08 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme To Be Published
5WGM	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ACY-1083 分子名称: 1,2-ETHANEDIOL, 2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-N-hydroxypyrimidine-5-carboxamide, DI(HYDROXYETHYL)ETHER, ... 著者 Porter, N.J, Christianson, D.W. 登録日 2017-07-14 公開日 2017-12-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Unusual zinc-binding mode of HDAC6-selective hydroxamate inhibitors. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6IDN	Crystal structure of ICChI chitinase from ipomoea carnea 分子名称: CALCIUM ION, ICChI, a glycosylated chitinase, ... 著者 Kumar, S, Kumar, A, Patel, A.K. 登録日 2018-09-10 公開日 2018-11-21 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 TIM barrel fold and glycan moieties in the structure of ICChI, a protein with chitinase and lysozyme activity. Phytochemistry, 170, 2020
5WGY	Crystal Structure of MalA' C112S/C128S, malbrancheamide B complex 分子名称: (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... 著者 Fraley, A.E, Smith, J.L. 登録日 2017-07-14 公開日 2017-08-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids. J. Am. Chem. Soc., 139, 2017
5IIO	Crystal structure of the DNA polymerase lambda binary complex 分子名称: DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), DNA (5'-D(*CP*GP*GP*CP*(8OG)P*GP*TP*AP*CP*TP*G)-3'), DNA (5'-D(P*GP*CP*CP*G)-3'), ... 著者 Burak, M.J, Guja, K.E, Garcia-Diaz, M. 登録日 2016-03-01 公開日 2016-08-17 最終更新日 2016-09-28 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 A fidelity mechanism in DNA polymerase lambda promotes error-free bypass of 8-oxo-dG. Embo J., 35, 2016
6I5H	Crystal structure of CLK1 in complex with furanopyrimidin VN412 分子名称: 1,2-ETHANEDIOL, 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, ... 著者 Schroeder, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2018-11-13 公開日 2019-01-16 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway. Angew. Chem. Int. Ed. Engl., 58, 2019
5WHC	USP7 in complex with Cpd2 (4-(3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl)phenol) 分子名称: 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol, GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 7 著者 Murray, J.M, Rouge, L. 登録日 2017-07-16 公開日 2017-12-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.548 Å) 主引用文献 Discovery of Small-Molecule Inhibitors of Ubiquitin Specific Protease 7 (USP7) Using Integrated NMR and in Silico Techniques. J. Med. Chem., 60, 2017
5WI0	Crystal structure of human NAMPT with fragment 2: 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one 分子名称: 2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one, Nicotinamide phosphoribosyltransferase 著者 Longenecker, K.L, Raich, D, Korepanova, A.V. 登録日 2017-07-18 公開日 2018-01-10 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Fragment-based discovery of a potent NAMPT inhibitor. Bioorg. Med. Chem. Lett., 28, 2018
6I5Q	Papaver somniferum O-methyltransferase 1 分子名称: O-methyltransferase 1 著者 Cabry, M.P, Offen, W.A, Winzer, T, Li, Y, Graham, I.A, Davies, G.J, Saleh, P. 登録日 2018-11-14 公開日 2019-03-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (3.05 Å) 主引用文献 Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation Acs Catalysis, 2019
5WSA	Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate and allosteric activator Glucose 6-Phosphate 分子名称: 6-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, OXALATE ION, ... 著者 Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. 登録日 2016-12-06 公開日 2017-11-15 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis. Nat Commun, 8, 2017
6I6L	Papaver somniferum O-methyltransferase 1 分子名称: O-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, Tetrahydrocolumbamine 著者 Cabry, M.P, Offen, W.A, Winzer, T, Li, Y, Graham, I.A, Davies, G.J, Saleh, P. 登録日 2018-11-15 公開日 2019-03-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.29 Å) 主引用文献 Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation Acs Catalysis, 2019
5IJR	X-ray structure of neuropilin-1 b1 domain complexed with Arg-1 ligand. 分子名称: DIMETHYL SULFOXIDE, L-HOMOARGININE, Neuropilin-1 著者 Fotinou, C, Rana, R, Djordjevic, S, Yelland, T. 登録日 2016-03-02 公開日 2017-03-29 最終更新日 2018-07-11 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Architecture and hydration of the arginine-binding site of neuropilin-1. FEBS J., 285, 2018
6I75	Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 2 分子名称: (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3 著者 Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. 登録日 2018-11-15 公開日 2019-01-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.171 Å) 主引用文献 Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects. Org. Biomol. Chem., 17, 2019
6I25	Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism 分子名称: 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphono-D-ribitol, Aureochrome1-like protein, CHLORIDE ION, ... 著者 Rizkallah, P.J, Kalvaitis, M.E. 登録日 2018-10-31 公開日 2019-06-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 A Noncanonical Chromophore Reveals Structural Rearrangements of the Light-Oxygen-Voltage Domain upon Photoactivation. Biochemistry, 58, 2019
5IK4	Laminin A2LG45 C-form, Apo. 分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... 著者 Briggs, D.C, Hohenester, E, Campbell, K.P. 登録日 2016-03-03 公開日 2016-08-10 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.27 Å) 主引用文献 Structural basis of laminin binding to the LARGE glycans on dystroglycan. Nat.Chem.Biol., 12, 2016
6I20	Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism 分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... 著者 Rizkallah, P.J, Kalvaitis, M.E, Allemann, R.K, Mart, R.J, Johnson, L.A. 登録日 2018-10-31 公開日 2019-05-29 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 A Noncanonical Chromophore Reveals Structural Rearrangements of the Light-Oxygen-Voltage Domain upon Photoactivation. Biochemistry, 58, 2019
5IKK	Structure of the histone deacetylase Clr3 分子名称: 1,2-ETHANEDIOL, Histone deacetylase clr3, MAGNESIUM ION, ... 著者 Brugger, C, Schalch, T. 登録日 2016-03-03 公開日 2016-04-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 SHREC Silences Heterochromatin via Distinct Remodeling and Deacetylation Modules. Mol.Cell, 62, 2016
6I2Q	Crystal structure of the wild-type SucA domain of Mycobacterium smegmatis KGD (alpha-ketoglutarate decarboxylase), in complex with GarA 分子名称: CALCIUM ION, Glycogen accumulation regulator GarA, MAGNESIUM ION, ... 著者 Wagner, T, Bellinzoni, M, Alzari, P.M. 登録日 2018-11-01 公開日 2019-05-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structural insights into the functional versatility of an FHA domain protein in mycobacterial signaling. Sci.Signal., 12, 2019
5WKG	Crystal Structure of Human CD1b in Complex with PA 分子名称: (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Shahine, A, Gras, S, Rossjohn, J. 登録日 2017-07-25 公開日 2017-11-01 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 A molecular basis of human T cell receptor autoreactivity toward self-phospholipids. Sci Immunol, 2, 2017
5WKJ	2.05 A resolution structure of MERS 3CL protease in complex with inhibitor GC376 分子名称: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, CALCIUM ION, ... 著者 Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C. 登録日 2017-07-25 公開日 2018-04-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element. Eur J Med Chem, 150, 2018
5IQY	Structure of apo-Dehydroascorbate Reductase from Pennisetum Glaucum phased by Iodide-SAD method 分子名称: Dehydroascorbate reductase, IODIDE ION 著者 Das, B.K, Kumar, A, Manidola, P, Arockiasamy, A. 登録日 2016-03-11 公開日 2016-05-04 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Non-native ligands define the active site of Pennisetum glaucum (L.) R. Br dehydroascorbate reductase Biochem.Biophys.Res.Commun., 473, 2016
5WKK	1.55 A resolution structure of MERS 3CL protease in complex with inhibitor GC813 分子名称: (1R,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, MAGNESIUM ION, ... 著者 Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C. 登録日 2017-07-25 公開日 2018-04-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element. Eur J Med Chem, 150, 2018
5WKM	2.25 A resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic inhibitor 21 分子名称: (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Orf1a protein 著者 Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C. 登録日 2017-07-25 公開日 2018-04-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element. Eur J Med Chem, 150, 2018

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