PDB: 31489 件ウェブページステータス検索Chemie searchBIRD

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7NRE	Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 1) 分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Darobactin, MAGNESIUM ION, ... 著者 Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. 登録日 2021-03-03 公開日 2021-04-21 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase. Nature, 593, 2021
8TYH	Plasmodium vivax PMX 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-tungstotellurate(VI), Aspartyl protease, ... 著者 Hodder, A.N, Scally, S.W, Cowman, A.F. 登録日 2023-08-25 公開日 2024-08-28 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Plasmodium vivax PMX To Be Published
6HYT	Crystal structure of DHX8 helicase domain bound to ADP at 2.3 Angstrom 分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... 著者 Felisberto-Rodrigues, C, Thomas, J.C, McAndrew, P.C, Le Bihan, Y.V, Burke, R, Workman, P, van Montfort, R.L.M. 登録日 2018-10-22 公開日 2019-08-28 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Structural and functional characterisation of human RNA helicase DHX8 provides insights into the mechanism of RNA-stimulated ADP release. Biochem.J., 476, 2019
6DPM	Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A in Complex with an RNA/DNA Hybrid: Reaction in 10 mM Mg2+ and 200 mM Rb+ for 1800 s at 21 C 分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ... 著者 Samara, N.L, Yang, W. 登録日 2018-06-09 公開日 2018-08-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.677 Å) 主引用文献 Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
8TBR	Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM758 分子名称: 3-(2-{3-[(2,4-diamino-6-phenylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2023-06-29 公開日 2024-08-28 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium , Two Emerging Human Pathogens. J.Med.Chem., 2024
8BRS	Crystal structure of a variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 with reduced surface entropy and additionally engineered crystal contact. 分子名称: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... 著者 Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R. 登録日 2022-11-23 公開日 2023-05-03 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency Cryst.Growth Des., 2023
6HZE	BP0997, GH138 enzyme targeting pectin rhamnogalacturonan II 分子名称: BPa0997, SODIUM ION, beta-D-galactopyranuronic acid 著者 Basle, A, Cartmell, A, Labourel, A, Gilbert, H. 登録日 2018-10-23 公開日 2019-03-20 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structural and functional analyses of glycoside hydrolase 138 enzymes targeting chain A galacturonic acid in the complex pectin rhamnogalacturonan II. J.Biol.Chem., 294, 2019
8TSM	Crystal structure of chicken Netrin-1 LN LE1-2 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Netrin-1 著者 Heide, F, Rafiei, F, Stetefeld, J. 登録日 2023-08-11 公開日 2024-08-28 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (3.9 Å) 主引用文献 Investigation of the dynamic nature of Netrin-1 on dependence receptor signaling To Be Published
6HH2	Rab29 small GTPase bound to GDP 分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-7L1 著者 Khan, A.R, McGrath, E, Waschbusch, D. 登録日 2018-08-24 公開日 2019-09-11 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.449 Å) 主引用文献 LRRK2 binds to the Rab32 subfamily in a GTP-dependent mannerviaits armadillo domain. Small GTPases, 2019
6DR6	X-ray crystallographic structure of a covalent trimer derived from A-beta 17_36 containing the F20Cha point mutation 分子名称: ORT-CYS-VAL-PHE-XXX-CYS-GLU-ASP-ORT-ALA-ILE-ILE-GLY-LEU-ORA-VAL 著者 Salveson, P.J, Nowick, J.S. 登録日 2018-06-11 公開日 2018-10-17 最終更新日 2020-01-01 実験手法 X-RAY DIFFRACTION (2.608 Å) 主引用文献 Repurposing Triphenylmethane Dyes to Bind to Trimers Derived from A beta. J. Am. Chem. Soc., 140, 2018
8TQN	Crystal Structure of a MES bound Substrate Binding Protein (IseP) from an Isethionate TRAP Transporter 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Isethionate-binding periplasmic protein DctP 著者 Newton-Vesty, M.C, Dobson, R.C.J. 登録日 2023-08-08 公開日 2024-08-28 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Crystal structure of an isethionate substrate-binding protein (IseP) bound to isethionate To Be Published
6HHM	Crystal structure of the family S1_7 ulvan-specific sulfatase FA22070 from Formosa agariphila 分子名称: Arylsulfatase, CALCIUM ION 著者 Roret, T, Prechoux, A, Michel, G, Czjzek, M. 登録日 2018-08-28 公開日 2019-06-26 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.23 Å) 主引用文献 A marine bacterial enzymatic cascade degrades the algal polysaccharide ulvan. Nat.Chem.Biol., 15, 2019
6HI2	PI3 Kinase Delta in complex with 3{6[(1S,6R)3oxabicyclo[4.1.0]heptan6yl]pyridin2yl}phenol 分子名称: 3-[6-[(1~{S},6~{R})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 著者 Convery, M.A, Summers, D, Peace, S. 登録日 2018-08-29 公開日 2019-09-11 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 A theoretical and experimental investigation into the conformational bias of aryl cyclopropylpyrans, novel bioisosteres for N-aryl morpholines. to be published
8TO4	EGFR(T790M/V948R) in complex with the allosteric inhibitor FRF-06-057 分子名称: (2R)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... 著者 Chitnis, S.P, Deng, M.Q, Pham, C.P, Heppner, D.E. 登録日 2023-08-02 公開日 2024-08-28 実験手法 X-RAY DIFFRACTION (2.99 Å) 主引用文献 EGFR(T790M/V948R) in complex with the allosteric inhibitor FRF-06-057 To Be Published
8BRR	Crystal structure of a variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 with reduced surface entropy and additionally engineered crystal contact 分子名称: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... 著者 Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R. 登録日 2022-11-23 公開日 2023-05-03 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency Cryst.Growth Des., 2023
6HR5	Structure of the S1_25 family sulfatase module of the rhamnosidase FA22250 from Formosa agariphila 分子名称: Alpha-L-rhamnosidase/sulfatase (GH78), CALCIUM ION 著者 Roret, T, Prechoux, A, Czjzek, M, Michel, G. 登録日 2018-09-26 公開日 2019-06-26 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.912 Å) 主引用文献 A marine bacterial enzymatic cascade degrades the algal polysaccharide ulvan. Nat.Chem.Biol., 15, 2019
7M9F	Structure of the wild-type native full-length HIV-1 capsid protein in complex with ZW-1261 分子名称: HIV-1 capsid protein, IODIDE ION, N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide 著者 Kirby, K.A, Sarafianos, S.G. 登録日 2021-03-31 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Molecular Dynamics Free Energy Simulations Reveal the Mechanism for the Antiviral Resistance of the M66I HIV-1 Capsid Mutation. Viruses, 13, 2021
6D8G	D341A D367A calcium binding mutant of Bacteroides uniformis beta-glucuronidase 2 分子名称: Glycosyl hydrolases family 2, sugar binding domain protein, SODIUM ION 著者 Walton, W.G, Pellock, S.J, Redinbo, M.R. 登録日 2018-04-26 公開日 2018-10-17 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis. J. Biol. Chem., 293, 2018
6HJB	Xray structure of GLIC in complex with malonate 分子名称: CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... 著者 Fourati, Z, Delarue, M. 登録日 2018-09-03 公開日 2019-09-18 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structural evidence for the binding of monocarboxylates and dicarboxylates at pharmacologically relevant extracellular sites of a pentameric ligand-gated ion channel. Acta Crystallogr D Struct Biol, 76, 2020
7MHC	Structure of human STING in complex with MK-1454 分子名称: (2R,5R,7R,8S,10R,12aR,14R,15S,15aR,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-difluoro-2,10-bis(sulfanyl)octahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein 著者 Lesburg, C.A. 登録日 2021-04-15 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.32 Å) 主引用文献 A kinase-cGAS cascade to synthesize a therapeutic STING activator. Nature, 603, 2022
8TA1	Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor MAM907 分子名称: 3-(2-{3-[(2,4-diamino-6-cyclohexylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, ACETATE ION, Dihydrofolate reductase, ... 著者 Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2023-06-26 公開日 2024-08-28 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Rational Exploration of 2,4-Diaminopyrimidines as DHFR Inhibitors Active against Mycobacterium abscessus and Mycobacterium avium , Two Emerging Human Pathogens. J.Med.Chem., 2024
8T7O	Crystal structure of the R132H mutant of IDH1 bound to AG-120 分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ivosidenib 著者 Lu, J, Abeywickrema, P, Heo, M.R, Parthasarathy, G, McCoy, M, Soisson, S.M. 登録日 2023-06-20 公開日 2024-08-28 実験手法 X-RAY DIFFRACTION (2.053 Å) 主引用文献 Mechanistic and Biostructural Studies of Mutant IDH1 To Be Published
8BF4	Crystal structure of Mouse Plexin-B1 (20-535) in complex with VHH15 and VHH14 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... 著者 Cowan, R, Hall, G, Carr, M. 登録日 2022-10-24 公開日 2023-05-03 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Nanobody inhibitors of Plexin-B1 identify allostery in plexin-semaphorin interactions and signaling. J.Biol.Chem., 299, 2023
6HJZ	Xray structure of GLIC in complex with succinate 分子名称: CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... 著者 Fourati, Z, Delarue, M. 登録日 2018-09-04 公開日 2019-09-18 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural evidence for the binding of monocarboxylates and dicarboxylates at pharmacologically relevant extracellular sites of a pentameric ligand-gated ion channel. Acta Crystallogr D Struct Biol, 76, 2020
8BRQ	Crystal structure of a surface entropy reduction variant of penicillin G acylase from Bacillaceae i. s. sp. FJAT-27231 分子名称: (R,R)-2,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... 著者 Wichmann, J, Mayer, J, Mattes, H, Lukat, P, Blankenfeldt, W, Biedendieck, R. 登録日 2022-11-23 公開日 2023-05-03 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Multistep Engineering of a Penicillin G Acylase for Systematic Improvement of Crystallization Efficiency Cryst.Growth Des., 2023

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