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

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8B3C	Chalcone synthase from Hordeum vulgare complexed with CoA and eriodictyol 分子名称: (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, COENZYME A, Chalcone synthase 2 著者 Zhang, L, Groves, M.R. 登録日 2022-09-16 公開日 2023-09-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids. J.Agric.Food Chem., 72, 2024
5HOK	MamB-CTD mutant - D247A 分子名称: MAGNESIUM ION, Magnetosome protein MamB 著者 Keren, N, Zeytuni, N, Zarivach, R. 登録日 2016-01-19 公開日 2017-02-01 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 The dual role of MamB in magnetosome membrane assembly and magnetite biomineralization. Mol. Microbiol., 107, 2018
6GIN	Crystal structure of the ACVR1 (ALK2) kinase in complex with an Quinazolinone based ALK2 inhibitor with a 4-morpholinophenyl solvent accessible group. 分子名称: 1,2-ETHANEDIOL, 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one, Activin receptor type-1, ... 著者 Williams, E, Hudson, L, Bezerra, G.A, Kopec, J, Mahajan, P, Kupinska, K, Hoelder, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. 登録日 2018-05-14 公開日 2018-05-23 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept. J. Med. Chem., 61, 2018
6DP4	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 20 mM Mg2+ and 75 mM K+ for 40 s at 21 C 分子名称: 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', DNA (5'-D(*CP*GP*AP*TP*GP*T)-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 (1.374 Å) 主引用文献 Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
7LVU	Structure of RSV F-directed VHH Cl184 分子名称: F-VHH-Cl184 著者 Hsieh, C.-L, McLellan, J.S. 登録日 2021-02-26 公開日 2021-03-24 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 A vulnerable, membrane-proximal site in human respiratory syncytial virus F revealed by a prefusion-specific single-domain antibody. J.Virol., 95, 2021
6GK6	Crystal structure of myxobacterial cytochrome P450 CYP267B1 in complex with myristic acid 分子名称: Cytochrome P450 CYP267B1 protein, MYRISTIC ACID, PROTOPORPHYRIN IX CONTAINING FE 著者 Jozwik, I.K, Thunnissen, A.M.W.H. 登録日 2018-05-18 公開日 2018-08-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural insights into oxidation of medium-chain fatty acids and flavanone by myxobacterial cytochrome P450 CYP267B1. Biochem. J., 475, 2018
8B5D	Exploring the ligand binding and conformational dynamics of receptor domain 1 of the ABC transporter GlnPQ 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ABC transporter permease subunit, DI(HYDROXYETHYL)ETHER, ... 著者 Whittaker, J, Guskov, A. 登録日 2022-09-22 公開日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Exploring the ligand binding and conformational dynamics of receptor domain 1 of the ABC transporter GlnPQ To Be Published
8B5E	Exploring the ligand binding and conformational dynamics of receptor domain 1 of the ABC transporter GlnPQ 分子名称: ABC transporter permease subunit, ARGININE, DI(HYDROXYETHYL)ETHER, ... 著者 Whittaker, J, Guskov, A. 登録日 2022-09-22 公開日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Exploring the ligand binding and conformational dynamics of receptor domain 1 of the ABC transporter GlnPQ To Be Published
7R1V	Crystal structure of E.coli BamA beta-barrel in complex with dynobactin A 分子名称: Dynobactin A, Outer membrane protein assembly factor BamA 著者 Jakob, R.P, Hiller, S, Maier, T. 登録日 2022-02-03 公開日 2022-09-28 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Computational identification of a systemic antibiotic for gram-negative bacteria. Nat Microbiol, 7, 2022
6DPI	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 40 s at 21 C 分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), 5'-R(P*CP*G)-3' portion of intact 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 (1.347 Å) 主引用文献 Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
7M02	Structure of SARS-CoV-2 3CL protease in complex with inhibitor 17c 分子名称: (1R,2S)-2-((S)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ... 著者 Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O. 登録日 2021-03-10 公開日 2021-03-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies. J.Med.Chem., 64, 2021
8PZ6	crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 analog 56 分子名称: (1~{R},3~{R})-5-[(2~{E})-2-[(4~{a}~{R},5~{S},9~{a}~{S})-4~{a}-methyl-5-[(2~{R})-6-methyl-6-oxidanyl-heptan-2-yl]-3,4,5,6,7,8,9,9~{a}-octahydro-2~{H}-benzo[7]annulen-1-ylidene]ethylidene]-2-(3-oxidanylpropylidene)cyclohexane-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A 著者 Rochel, N. 登録日 2023-07-27 公開日 2024-04-24 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor. Eur.J.Med.Chem., 271, 2024
5U12	E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one 分子名称: 2-azanyl-8-[(2-fluorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, Dihydropteroate synthase 著者 Dennis, M.L, Peat, T.S, Swarbrick, J.D. 登録日 2016-11-27 公開日 2017-12-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.839 Å) 主引用文献 8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase. Chemistry, 24, 2018
7LZV	Structure of SARS-CoV-2 3CL protease in complex with inhibitor 19b 分子名称: (1R,2S)-2-((S)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ... 著者 Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O. 登録日 2021-03-10 公開日 2021-03-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies. J.Med.Chem., 64, 2021
8B5M	Crystal structure of GH47 alpha-1,2-mannosidase from Caulobacter K31 strain in complex with cyclosulfamidate inhibitor 分子名称: (3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol, CALCIUM ION, Mannosyl-oligosaccharide 1,2-alpha-mannosidase, ... 著者 Males, A, Davies, G.J. 登録日 2022-09-23 公開日 2023-10-04 実験手法 X-RAY DIFFRACTION (0.97 Å) 主引用文献 GH47 and Cyclosulfamidate To Be Published
7M00	Structure of SARS-CoV-2 3CL protease in complex with inhibitor 13c 分子名称: (1R,2S)-2-((S)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid, 3C-like proteinase 著者 Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Kim, Y, Perera, K.D, Jesri, A.R.M, Nguyen, H.N, Baird, M.A, Miller, M.J, Groutas, W.C, Chang, K.O. 登録日 2021-03-10 公開日 2021-03-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies. J.Med.Chem., 64, 2021
5HWP	MvaS with acetylated Cys115 in complex with coenzyme A 分子名称: COENZYME A, GLYCEROL, Hydroxymethylglutaryl-CoA synthase, ... 著者 Bock, T, Kasten, J, Blankenfeldt, W. 登録日 2016-01-29 公開日 2016-05-11 最終更新日 2016-07-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal Structure of the HMG-CoA Synthase MvaS from the Gram-Negative Bacterium Myxococcus xanthus. Chembiochem, 17, 2016
7RGZ	Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitro-4-fluoro)-benzoyl-3-O-toluoyl-b-D-talopyranoside 分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside 著者 Collins, P.M, Kishor, C, Blanchard, H. 登録日 2021-07-16 公開日 2022-07-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.485 Å) 主引用文献 Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia. J.Med.Chem., 65, 2022
5U1X	Crystal structure of the ATP-gated P2X7 ion channel bound to allosteric antagonist JNJ47965567 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, N-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide, ... 著者 Karasawa, A, Kawate, T. 登録日 2016-11-29 公開日 2017-01-04 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (3.201 Å) 主引用文献 Structural basis for subtype-specific inhibition of the P2X7 receptor. Elife, 5, 2016
6GMV	MamM CTD - Nickel form 分子名称: BETA-MERCAPTOETHANOL, MamM CTD - Nickel form, NICKEL (II) ION, ... 著者 Barber-Zucker, S, Zarivach, R. 登録日 2018-05-28 公開日 2019-06-19 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 MamM CTD - Nickel form To Be Published
8B5Q	Crystal Structure of P. aeruginosa WaaG in complex with UMP 分子名称: UDP-glucose:(Heptosyl) LPS alpha 1,3-glucosyltransferase WaaG, URIDINE-5'-MONOPHOSPHATE 著者 Scaletti, E, Gustafsson Westergren, R, Stenmark, P. 登録日 2022-09-24 公開日 2023-10-04 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural and functional insights into the Pseudomonas aeruginosa glycosyltransferase WaaG and the implications for lipopolysaccharide biosynthesis. J.Biol.Chem., 299, 2023
5U6T	The crystal structure of 4-ethoxybenzoate-bound CYP199A4 分子名称: 4-ethoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Coleman, T, Bruning, J.B, Bell, S.G. 登録日 2016-12-08 公開日 2018-06-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.935 Å) 主引用文献 Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation Acs Catalysis, 8, 2018
6R5T	The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with lactose 分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ... 著者 Batuecas, M.T, Hermoso, J.A. 登録日 2019-03-25 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation. Acs Chem.Biol., 15, 2020
7RH3	Co-crystallization of human galectin-3 CRD complex with Methyl 2-O-(2-nitro-4-chloro)-benzoyl-3-O-toluoyl-b-D-talopyranoside 分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-chloro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside 著者 Collins, P.M, Kishor, C, Blanchard, H. 登録日 2021-07-16 公開日 2022-07-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia. J.Med.Chem., 65, 2022
6R5U	The crystal structure of Glycoside Hydrolase BglX inactive mutant from P. aeruginosa in complex with laminaritriose 分子名称: MAGNESIUM ION, Periplasmic beta-glucosidase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ... 著者 Batuecas, M.T, Hermoso, J.A. 登録日 2019-03-25 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation. Acs Chem.Biol., 15, 2020

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