PDB: 36840 件ウェブページステータス検索Chemie searchBIRD

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8RRP	Insulin Icodec - A14E B16H B25H B29Ne-C20 diacid-LgGlu-2xAdo desB30 human insulin 分子名称: ACETATE ION, Insulin, Insulin B chain 著者 Schluckebier, G, Johansson, E. 登録日 2024-01-23 公開日 2024-07-10 最終更新日 2024-07-31 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Enhanced disulphide bond stability contributes to the once-weekly profile of insulin icodec. Nat Commun, 15, 2024
5HZ6	FABP4 in complex with 6-Chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid 分子名称: 6-Chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid, Fatty acid-binding protein, adipocyte 著者 Ehler, A, Rudolph, M.G. 登録日 2016-02-02 公開日 2016-12-14 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.14 Å) 主引用文献 Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors. Bioorg. Med. Chem. Lett., 26, 2016
7QOX	Factor XI and Plasma Kallikrein apple domain structures reveals different kininogen bound complexes 分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... 著者 Li, C, Awital, B, Wong, S, Dreveny, I, Meijers, J, Emsley, J. 登録日 2021-12-29 公開日 2023-01-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.32 Å) 主引用文献 Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI. J Thromb Haemost, 17, 2019
7QR2	Crystal structure of chicken Ovalbumin-related protein X 分子名称: 1,2-ETHANEDIOL, Ovalbumin-related protein X, SULFATE ION 著者 Coste, F, Rehault-Godbert, S. 登録日 2022-01-10 公開日 2023-01-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Crystal structure of chicken Ovalbumin-related protein X To Be Published
5HMJ	Re-refinement of 4xan: hen lysozyme with carboplatin in sodium bromide solution 分子名称: ACETATE ION, BROMIDE ION, DIMETHYL SULFOXIDE, ... 著者 Helliwell, J.R. 登録日 2016-01-16 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.299901 Å) 主引用文献 Re-refinement of 4xan: hen egg-white lysozyme with carboplatin in sodium bromide solution. Acta Crystallogr F Struct Biol Commun, 72, 2016
5KOT	Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor 分子名称: 1-(4-methoxybutyl)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... 著者 Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. 登録日 2016-07-01 公開日 2017-07-05 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Discovery of TAK-272: A Novel, Potent and Orally Active Renin Inhibitor To be published
7QRA	Crystal structure of CK1 delta in complex with VN725 分子名称: 1,2-ETHANEDIOL, 4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine, Casein kinase I isoform delta, ... 著者 Chaikuad, A, Nemec, V, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2022-01-10 公開日 2023-01-18 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Discovery of Potent and Exquisitely Selective Inhibitors of Kinase CK1 with Tunable Isoform Selectivity. Angew.Chem.Int.Ed.Engl., 62, 2023
8S8C	Structure of Kras in complex with inhibitor MK-1084 分子名称: (5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Day, P.J, Cleasby, A. 登録日 2024-03-06 公開日 2024-07-10 最終更新日 2024-07-24 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of MK-1084: An Orally Bioavailable and Low-Dose KRAS G12C Inhibitor. J.Med.Chem., 67, 2024
7QOT	Factor XI and Plasma Kallikrein apple domain structures reveals different kininogen bound complexes 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa heavy chain, Kininogen-1 light chain, ... 著者 Li, C, Awital, B, Wong, S, Dreveny, I, Meijers, J, Emsley, J. 登録日 2021-12-28 公開日 2023-01-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (3.24 Å) 主引用文献 Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI. J Thromb Haemost, 17, 2019
7QTZ	Crystal structure of Iripin-1 serpin from tick Ixodes ricinus 分子名称: MAGNESIUM ION, Putative salivary serpin 著者 Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T. 登録日 2022-01-17 公開日 2023-01-25 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Iripin-1, a new anti-inflammatory tick serpin, inhibits leukocyte recruitment in vivo while altering the levels of chemokines and adhesion molecules. Front Immunol, 14, 2023
5L18	The crystal structure of neuraminidase in complex with sialic acid from A/Shanghai/2/2013 (H7N9) influenza virus 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, N-acetyl-alpha-neuraminic acid, ... 著者 Yang, H, Stevens, J. 登録日 2016-07-28 公開日 2017-08-09 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Drug Susceptibility Evaluation of an Influenza A(H7N9) Virus by Analyzing Recombinant Neuraminidase Proteins. J. Infect. Dis., 216, 2017
5L1O	X-ray Structure of Cytochrome P450 PntM with Pentalenolactone F 分子名称: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F 著者 Duan, L, Jogl, G, Cane, D.E. 登録日 2016-07-29 公開日 2016-09-14 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
7QQ7	Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor at partial occupancy with PEG 分子名称: ACETATE ION, BROMIDE ION, CHLORIDE ION, ... 著者 Snee, M, Levy, C, Kavanagh, M. 登録日 2022-01-06 公開日 2023-01-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor at partial occupancy with PEG To Be Published
7QU4	Recombinant Human Fetal Hemoglobin mutant - alpha subunit mutations K11E,K56E,N78D,K90E 分子名称: Hemoglobin subunit alpha, Hemoglobin subunit gamma-2, PROTOPORPHYRIN IX CONTAINING FE 著者 Kettisen, K, Nyblom, M, Bulow, L. 登録日 2022-01-17 公開日 2023-01-25 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 Structural and oxidative investigation of a recombinant high-yielding fetal hemoglobin mutant. Front Mol Biosci, 10, 2023
7QR9	Crystal structure of CK1 delta in complex with PK-09-82 分子名称: 1,2-ETHANEDIOL, 4-[5-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine, Casein kinase I isoform delta, ... 著者 Chaikuad, A, Khirsariya, P, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2022-01-10 公開日 2023-01-18 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Discovery of Potent and Exquisitely Selective Inhibitors of Kinase CK1 with Tunable Isoform Selectivity. Angew.Chem.Int.Ed.Engl., 62, 2023
7QRB	Crystal structure of CK1 delta in complex with PK-09-129 分子名称: 3-(dimethylamino)-~{N}-[4-[4-(4-fluorophenyl)-5-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]propane-1-sulfonamide, Casein kinase I isoform delta, SULFATE ION 著者 Chaikuad, A, Khirsariya, P, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2022-01-10 公開日 2023-01-18 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Discovery of Potent and Exquisitely Selective Inhibitors of Kinase CK1 with Tunable Isoform Selectivity. Angew.Chem.Int.Ed.Engl., 62, 2023
5HO7	DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS 分子名称: 3-phosphoinositide-dependent protein kinase 1, 5-amino-3-(methylsulfanyl)-1H-pyrazole-1,4-dicarboxamide, SULFATE ION 著者 Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. 登録日 2016-01-19 公開日 2016-06-08 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Discovery of novel 7-azaindoles as PDK1 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
5HT7	Crystal structure of a transition-metal-ion-binding betagamma-crystallin from Methanosaeta thermophila 分子名称: FE (II) ION, Uncharacterized protein 著者 Srivastava, S.S, Sankaranarayanan, R. 登録日 2016-01-26 公開日 2017-02-01 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.862 Å) 主引用文献 A Transition Metal-Binding, Trimeric beta gamma-Crystallin from Methane-Producing Thermophilic Archaea, Methanosaeta thermophila Biochemistry, 56, 2017
5KXN	Hen Egg White Lysozyme at 100K, Data set 4 分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION 著者 Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. 登録日 2016-07-20 公開日 2016-09-07 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.198 Å) 主引用文献 Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
5KXU	Structure Proteinase K determined by SACLA 分子名称: CALCIUM ION, NITRATE ION, Proteinase K 著者 Masuda, T, Suzuki, M, Inoue, S, Numata, K, Sugahara, M. 登録日 2016-07-20 公開日 2017-06-07 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Atomic resolution structure of serine protease proteinase K at ambient temperature. Sci Rep, 7, 2017
5KYK	Covalent GTP-competitive inhibitors of KRAS G12C: Guanosine bisphosphonate Analogs 分子名称: 5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine, GTPase KRas 著者 Xiong, Y, Lu, J, Hunter, J, Li, L, Scott, D, Manandhar, A, Gondi, S, Westover, K.D, Gray, N.S. 登録日 2016-07-21 公開日 2017-04-12 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.702 Å) 主引用文献 Covalent Guanosine Mimetic Inhibitors of G12C KRAS. ACS Med Chem Lett, 8, 2017
5HU3	Drosophila CaMKII-D136N in complex with a phosphorylated fragment of the Eag potassium channel and Mg2+/ADP 分子名称: ADENOSINE-5'-DIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II alpha chain, MAGNESIUM ION, ... 著者 Castro-Rodrigues, A.F, Morais-Cabral, J.H. 登録日 2016-01-27 公開日 2017-02-01 最終更新日 2019-11-13 実験手法 X-RAY DIFFRACTION (1.885 Å) 主引用文献 The Interaction between the Drosophila EAG Potassium Channel and the Protein Kinase CaMKII Involves an Extensive Interface at the Active Site of the Kinase. J.Mol.Biol., 430, 2018
7QWH	X-ray structure of the adduct formed upon reaction of a vanadium hydroxyquinoline complex with RNase A 分子名称: 2,2-bis($l^{1}-oxidanyl)-3-oxa-1$l^{4}-aza-2$l^{4}-vanadatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaene, Ribonuclease pancreatic 著者 Merlino, A, Ferraro, G. 登録日 2022-01-25 公開日 2023-02-01 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.573 Å) 主引用文献 Interaction of VIVO-8-hydroxyquinoline species with RNase A: the effect of metal ligands in the protein adduct stabilization Inorg Chem Front, 2023
5HPR	Insulin with proline analog HyP at position B28 in the T2 state 分子名称: GLYCEROL, Insulin A-Chain, Insulin B-Chain, ... 著者 Lieblich, S.A, Fang, K.Y, Cahn, J.K.B, Tirrell, D.A. 登録日 2016-01-21 公開日 2017-01-25 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.33 Å) 主引用文献 4S-Hydroxylation of Insulin at ProB28 Accelerates Hexamer Dissociation and Delays Fibrillation. J. Am. Chem. Soc., 139, 2017
8SDW	Crystal structure of the non-myristoylated mutant [L8K]Arf1 in complex with a GDP analogue 分子名称: ADP-ribosylation factor 1, GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOSPHATE, MAGNESIUM ION 著者 Rosenberg Jr, E.M, Randazzo, P.A, Esser, L, Xia, D. 登録日 2023-04-07 公開日 2023-06-28 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Point mutations in Arf1 reveal cooperative effects of the N-terminal extension and myristate for GTPase-activating protein catalytic activity. Plos One, 19, 2024

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