PDB: 45459 件ウェブページステータス検索Chemie searchBIRD

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8JEZ	Human sodium-dependent vitamin C transporter 1 in an apo inward-open state 分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... 著者 Kobayashi, T.A, Kusakizako, T, Nureki, O. 登録日 2023-05-16 公開日 2024-06-19 実験手法 ELECTRON MICROSCOPY (2.6 Å) 主引用文献 Cryo-EM structures of human sodium-dependent vitamin C transporter 1 To Be Published
6MQ2	De Novo Design of membrane protein--mini-eVgL membrane protein, C2221 form-2 分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, mini-eVgL membrane protein 著者 Mravic, M, Liu, L, Degrado, W.F. 登録日 2018-10-09 公開日 2019-04-03 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Packing of apolar side chains enables accurate design of highly stable membrane proteins. Science, 363, 2019
5CM0	Crystal structure of branched-chain aminotransferase from thermophilic archaea Geoglobus acetivorans 分子名称: Branched-chain transaminase, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE 著者 Boyko, K.M, Nikolaeva, A.Y, Stekhanova, T.N, Mardanov, A.V, Rakitin, A.L, Ravin, N.V, Popov, V.O. 登録日 2015-07-16 公開日 2016-09-14 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Thermostable Branched-Chain Amino Acid Transaminases From the Archaea Geoglobus acetivorans and Archaeoglobus fulgidus : Biochemical and Structural Characterization. Front Bioeng Biotechnol, 7, 2019
7QRG	Structure of the post-fusion complex between precursor membrane ectodomain (prM) and envelope ectodomain protein (E) from tick-borne encephalitis virus 分子名称: Envelope protein E, GLYCEROL, Genome polyprotein 著者 Vaney, M.C, Rouvinski, A, Rey, F.A. 登録日 2022-01-11 公開日 2022-05-25 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Evolution and activation mechanism of the flavivirus class II membrane-fusion machinery. Nat Commun, 13, 2022
7QRE	Structure of the hetero-tetramer complex between precursor membrane protein fragment (pr) and envelope protein (E) from tick-borne encephalitis virus 分子名称: ACETATE ION, Envelope protein E, Genome polyprotein, ... 著者 Vaney, M.C, Dellarole, M, Rey, F.A. 登録日 2022-01-11 公開日 2022-05-25 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Evolution and activation mechanism of the flavivirus class II membrane-fusion machinery. Nat Commun, 13, 2022
5CKH	E. coli MazF E24A form IIb 分子名称: Endoribonuclease MazF 著者 Zorzini, V, Loris, R. 登録日 2015-07-15 公開日 2016-04-06 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.449 Å) 主引用文献 Substrate Recognition and Activity Regulation of the Escherichia coli mRNA Endonuclease MazF. J.Biol.Chem., 291, 2016
7QRF	Structure of the dimeric complex between precursor membrane ectodomain (prM) and envelope protein ectodomain (E) from tick-borne encephalitis virus 分子名称: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Envelope protein E, ... 著者 Vaney, M.C, Rouvinski, A, Rey, F.A. 登録日 2022-01-11 公開日 2022-05-25 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Evolution and activation mechanism of the flavivirus class II membrane-fusion machinery. Nat Commun, 13, 2022
8OG3	E. coli NfsB triple mutant T41L/N71S/F124T bound to citrate 分子名称: 1,2-ETHANEDIOL, CITRIC ACID, FLAVIN MONONUCLEOTIDE, ... 著者 Day, M.A, White, S.A, Hyde, E.I, Searle, P.F. 登録日 2023-03-17 公開日 2023-04-19 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954. Int J Mol Sci, 24, 2023
7Q7V	Crystal structure of human BCL6 BTB domain in complex with compound 12a 分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[(2R)-2-cyclopropyl-7-methyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein, ... 著者 Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2021-11-09 公開日 2022-06-15 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors. J.Med.Chem., 65, 2022
7Q7U	Crystal structure of human BCL6 BTB domain in complex with compound 9a 分子名称: 2-chloranyl-4-[[(2S)-2,7-dimethyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein 著者 Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2021-11-09 公開日 2022-06-15 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors. J.Med.Chem., 65, 2022
6MN7	Cryo-EM structure of BG505.SOSIP.664 in complex with BF520.1 antigen binding fragment 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BF520.1 Fab variable region, ... 著者 Williams, J.A, Lee, K.K, Overbaugh, J. 登録日 2018-10-01 公開日 2019-03-06 最終更新日 2020-07-29 実験手法 ELECTRON MICROSCOPY (4.8 Å) 主引用文献 Kappa chain maturation helps drive rapid development of an infant HIV-1 broadly neutralizing antibody lineage. Nat Commun, 10, 2019
6MH0	Crystal Structure of the New Deli Metallo Beta Lactamase Variant 3 from Klebsiella pneumoniae 分子名称: CHLORIDE ION, Metallo-beta-lactamase NDM-3, SULFATE ION, ... 著者 Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2018-09-16 公開日 2018-10-03 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Crystal Structure of the New Deli Metallo Beta Lactamase Variant 3 from Klebsiella pneumoniae To Be Published
7QK0	Crystal structure of human BCL6 BTB domain in complex with compound 12a 分子名称: (2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, ... 著者 Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2021-12-17 公開日 2022-06-15 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo . J.Med.Chem., 65, 2022
5CSQ	The structure of the NK1 fragment of HGF/SF complexed with MOPS 分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Hepatocyte growth factor 著者 Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. 登録日 2015-07-23 公開日 2015-08-12 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding. Chem Sci, 6, 2015
7Q7R	Crystal structure of human BCL6 BTB domain in complex with compound 1 分子名称: 2-chloranyl-4-[[(2S)-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-6-oxidanylidene-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein, CHLORIDE ION 著者 Le Bihan, Y.-V, van Montfort, R.L.M. 登録日 2021-11-09 公開日 2022-06-15 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors. J.Med.Chem., 65, 2022
6MQN	Crystal structure of KRAS V14I-GDP demonstrating disorder switch 1 conformation - Form 2 分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE 著者 Bera, A.K, Westover, K.D. 登録日 2018-10-10 公開日 2019-07-31 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural basis of the atypical activation mechanism of KRASV14I. J.Biol.Chem., 294, 2019
5QUH	HumRadA1.2 soaked with napht-2,3-diol overnight at 2 mM 分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol 著者 Marsh, M, Hyvonen, M. 登録日 2020-01-27 公開日 2021-03-03 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Optimisation of crystal forms for structure-guided drug discovery To be published
5QUD	HumRadA1.2 soaked with napht-2,3-diol for 5 minutes at 20 mM 分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol 著者 Marsh, M, Hyvonen, M. 登録日 2020-01-27 公開日 2021-03-03 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Optimisation of crystal forms for structure-guided drug discovery To be published
5QUE	HumRadA1.2 soaked with napht-2,3-diol for 10 minutes at 20 mM 分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol 著者 Marsh, M, Hyvonen, M. 登録日 2020-01-27 公開日 2021-03-03 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Optimisation of crystal forms for structure-guided drug discovery To be published
5QUF	HumRadA1.2 soaked with napht-2,3-diol overnight at 20 mM 分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol 著者 Marsh, M, Hyvonen, M. 登録日 2020-01-27 公開日 2021-03-03 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Optimisation of crystal forms for structure-guided drug discovery To be published
5QUG	HumRadA1.2 soaked with napht-2,3-diol overnight at 1 mM 分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol 著者 Marsh, M, Hyvonen, M. 登録日 2020-01-27 公開日 2021-03-03 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Optimisation of crystal forms for structure-guided drug discovery To be published
5QUB	HumRadA1.2 soaked with napht-2,3-diol for 30 seconds at 20 mM 分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol 著者 Marsh, M, Hyvonen, M. 登録日 2020-01-27 公開日 2021-03-03 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Optimisation of crystal forms for structure-guided drug discovery To be published
5QUO	HumRadA1 soaked with 0.2 mM indazole in 10% DMSO 分子名称: PHOSPHATE ION, RadA 著者 Marsh, M, Hyvonen, M. 登録日 2020-01-27 公開日 2021-03-03 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.342 Å) 主引用文献 Optimisation of crystal forms for structure-guided drug discovery To be published
6MUF	Crystal Structure of HIV-1 B41 SOSIP.664 Prefusion Env Trimer in Complex with Human Antibodies 3H109L and 35O22 at 3.4 Angstrom 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain portion, ... 著者 Lai, Y.-T, Kwong, P.D. 登録日 2018-10-23 公開日 2019-01-16 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.91 Å) 主引用文献 Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry. Nat Commun, 10, 2019
5QUC	HumRadA1.2 soaked with napht-2,3-diol for 60 seconds at 20 mM 分子名称: PHOSPHATE ION, RadA, naphthalene-2,3-diol 著者 Marsh, M, Hyvonen, M. 登録日 2020-01-27 公開日 2021-03-03 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Optimisation of crystal forms for structure-guided drug discovery To be published

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