PDB: 242842 件ウェブページステータス検索Chemie searchBIRD

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4X6T	M.tuberculosis betalactamase complexed with inhibitor EC19 分子名称: 3-[(2R)-2-(dihydroxyboranyl)-2-{[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid, Beta-lactamase, PHOSPHATE ION 著者 Hazra, S. 登録日 2014-12-09 公開日 2015-12-23 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Inhibiting the beta-Lactamase of Mycobacterium tuberculosis (Mtb) with Novel Boronic Acid Transition-State Inhibitors (BATSIs). ACS Infect Dis, 1, 2015
6OAL	Structure of human PARG complexed with JA2120 分子名称: 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione, Poly(ADP-ribose) glycohydrolase 著者 Brosey, C.A, Ahmed, Z, Warden, S, Tainer, J.A. 登録日 2019-03-16 公開日 2020-03-18 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
7Q07	Ketol-acid reductoisomerase from Methanothermococcus thermolithotrophicus in the open state with NADP and tartrate 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Ketol-Acid Reductoisomerase from Methanothermococcus thermolithotrophicus, ... 著者 Lemaire, O.N, Mueller, M, Wagner, T. 登録日 2021-10-14 公開日 2021-12-08 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural Rearrangements of a Dodecameric Ketol-Acid Reductoisomerase Isolated from a Marine Thermophilic Methanogen. Biomolecules, 11, 2021
4WKQ	1.85 angstrom structure of EGFR kinase domain with gefitinib 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, Gefitinib, ... 著者 Yosaatmadja, Y, Squire, C.J. 登録日 2014-10-03 公開日 2014-11-05 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 1.85 angstrom structure of EGFR kinase domain with gefitinib To Be Published
7Q03	Ketol-acid reductoisomerase from Methanothermococcus thermolithotrophicus in the close state with NADP and Mg2+ 分子名称: 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, GLYCEROL, ... 著者 Lemaire, O.N, Mueller, M, Wagner, T. 登録日 2021-10-14 公開日 2021-12-08 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural Rearrangements of a Dodecameric Ketol-Acid Reductoisomerase Isolated from a Marine Thermophilic Methanogen. Biomolecules, 11, 2021
4WRG	1.9 angstrom structure of EGFR kinase domain 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, SODIUM ION 著者 Squire, C.J, Yosaatmadja, Y, Flanagan, J.U, McKeage, M. 登録日 2014-10-23 公開日 2014-11-05 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 1.9 angstrom structure of EGFR kinase domain To Be Published
1EN8	1 A CRYSTAL STRUCTURES OF B-DNA REVEAL SEQUENCE-SPECIFIC BINDING AND GROOVE-SPECIFIC BENDING OF DNA BY MAGNESIUM AND CALCIUM 分子名称: CALCIUM ION, DNA (5'-D(*CP*CP*AP*AP*CP*GP*TP*TP*GP*G)-3'), ETHANOL 著者 Chiu, T.K, Dickerson, R.E. 登録日 2000-03-20 公開日 2000-09-25 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (0.985 Å) 主引用文献 1 A crystal structures of B-DNA reveal sequence-specific binding and groove-specific bending of DNA by magnesium and calcium. J.Mol.Biol., 301, 2000
6NT0	Catalase 3 from N.Crassa in ferrous state, X-ray reduced (1.315 MGy) 分子名称: 1,2-ETHANEDIOL, ACETATE ION, Catalase-3, ... 著者 Zarate-Romero, A, Rudino-Pinera, E, Stojanoff, V. 登録日 2019-01-27 公開日 2019-05-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state. Arch.Biochem.Biophys., 666, 2019
6PBL	Crystal structure of Malate dehydrogenase from Legionella pneumophila Philadelphia 1 分子名称: Malate dehydrogenase 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2019-06-14 公開日 2019-07-24 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Crystal structure of Malate dehydrogenase from Legionella pneumophila Philadelphia 1 TO BE PUBLISHED
9VKF	Crystal structure of yeast arginine N-methyltransferase 1,HMT1 分子名称: Protein arginine N-methyltransferase 1 著者 Yang, X.Y, Zhou, Y.H, Shang, X.C, Liu, Y.L. 登録日 2025-06-23 公開日 2025-07-09 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Crystal structure of yeast arginine N-methyltransferase 1,HMT1 To Be Published
9NT0	OXA-23-meropenem, pH 7.5 分子名称: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase OXA-23, SULFATE ION 著者 Smith, C.A, Toth, M, Stewart, N.K, Vakulenko, S.B. 登録日 2025-03-17 公開日 2025-08-06 最終更新日 2025-09-03 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Dual mechanism of the OXA-23 carbapenemase inhibition by the carbapenem NA-1-157. Antimicrob.Agents Chemother., 2025
6O4H	Structure of ALDH7A1 mutant A171V complexed with NAD 分子名称: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE 著者 Tanner, J.J, Korasick, D.A, Laciak, A.R. 登録日 2019-02-28 公開日 2019-07-24 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1. Febs J., 287, 2020
4V2L	Crystallographic structure of thioredoxin from Litopenaeus vannamei: Radiation damage effect at 3.4 MGy, focused in disulfide bonds. 分子名称: ACETATE ION, GLYCEROL, SULFATE ION, ... 著者 Campos-Acevedo, A.A, Rudino-Pinera, E. 登録日 2014-10-10 公開日 2015-01-14 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Crystallographic Studies Evidencing the High Energy Tolerance to Disrupting the Interface Disulfide Bond of Thioredoxin 1 from White Leg Shrimp Litopenaeus Vannamei. Molecules, 19, 2014
4V2M	Crystallographic structure of thioredoxin from Litopenaeus vannamei: Radiation damage effect at 34 MGy, focused in disulfide bonds. 分子名称: ACETATE ION, GLYCEROL, SULFATE ION, ... 著者 Campos-Acevedo, A.A, Rudino-Pinera, E. 登録日 2014-10-10 公開日 2015-01-14 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.841 Å) 主引用文献 Crystallographic Studies Evidencing the High Energy Tolerance to Disrupting the Interface Disulfide Bond of Thioredoxin 1 from White Leg Shrimp Litopenaeus Vannamei. Molecules, 19, 2014
7P9E	Chlamydomonas reinhardtii NADPH Dependent Thioredoxin Reductase 1 domain CS mutant 分子名称: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase 著者 Fuesser, F, Kuemmel, D. 登録日 2021-07-27 公開日 2022-01-19 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.36 Å) 主引用文献 Structural analysis revealed a novel conformation of the NTRC reductase domain from Chlamydomonas reinhardtii. J.Struct.Biol., 214, 2021
7PJM	Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and Ca2+/2-Oxoglutarate 分子名称: 2-OXOGLUTARIC ACID, CALCIUM ION, CHLORIDE ION, ... 著者 Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J. 登録日 2021-08-24 公開日 2022-07-13 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors. Nat Commun, 13, 2022
9MLT	Crystal structure of dihydrofolate reductase (DHFR) from the filarial nematode W. bancrofti in complex with NADPH and [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acid (TSD25 or OFD) 分子名称: Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acid 著者 Frey, K.M, Goodey, N.M, Kwarteng, S, Wilhelm, J. 登録日 2024-12-19 公開日 2025-08-27 最終更新日 2025-09-03 実験手法 X-RAY DIFFRACTION (2.105 Å) 主引用文献 A virtual screening strategy to repurpose antifolate compounds as W.bancrofti DHFR inhibitors. Bioorg.Med.Chem.Lett., 129, 2025
6VJ4	1.70 Angstrom Resolution Crystal Structure of Peptidylprolyl Isomerase (PrsA) from Bacillus anthracis 分子名称: Peptidylprolyl isomerase PrsA 著者 Minasov, G, Shuvalova, L, Kiryukhina, O, Wiersum, G, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2020-01-14 公開日 2020-02-05 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 1.70 Angstrom Resolution Crystal Structure of Peptidylprolyl Isomerase (PrsA) from Bacillus anthracis To Be Published
8F7Z	VRC34.01_mm28 bound to fusion peptide 分子名称: HIV-1 Env Fusion Peptide, VRC34_m228 Light Chain, VRC34_mm28 Heavy Chain 著者 Olia, A.S, Kwong, P.D. 登録日 2022-11-21 公開日 2023-11-01 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Antibody-directed evolution reveals a mechanism for enhanced neutralization at the HIV-1 fusion peptide site. Nat Commun, 14, 2023
6O4C	Structure of ALDH7A1 mutant W175A complexed with NAD 分子名称: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, CHLORIDE ION, ... 著者 Tanner, J.J, Korasick, D.A, Laciak, A.R. 登録日 2019-02-28 公開日 2019-07-24 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1. Febs J., 287, 2020
4WB9	Human ALDH1A1 complexed with NADH 分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, Retinal dehydrogenase 1, ... 著者 Morgan, C.A, Hurley, T.D. 登録日 2014-09-02 公開日 2014-12-10 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Development of a high-throughput in vitro assay to identify selective inhibitors for human ALDH1A1. Chem.Biol.Interact., 234, 2015
6O4B	Structure of ALDH7A1 mutant W175G complexed with NAD 分子名称: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, CHLORIDE ION, ... 著者 Tanner, J.J, Korasick, D.A, Laciak, A.R. 登録日 2019-02-28 公開日 2019-07-24 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1. Febs J., 287, 2020
6O4F	Structure of ALDH7A1 mutant N167S complexed with alpha-aminoadipate 分子名称: 1,2-ETHANEDIOL, 2-AMINOHEXANEDIOIC ACID, Alpha-aminoadipic semialdehyde dehydrogenase 著者 Tanner, J.J, Korasick, D.A, Laciak, A.R. 登録日 2019-02-28 公開日 2019-07-24 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1. Febs J., 287, 2020
6YXF	Cryogenic human adiponectin receptor 2 (ADIPOR2) with Gd-DO3 ligand determined by Serial Crystallography (SSX) using CrystalDirect 分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, Adiponectin receptor protein 2, ... 著者 Healey, R.D, Basu, S, Humm, A.S, Leyrat, C, Dupeux, F, Pica, A, Granier, S, Marquez, J.A. 登録日 2020-05-01 公開日 2021-05-12 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (3.025 Å) 主引用文献 An automated platform for structural analysis of membrane proteins through serial crystallography. Cell Rep Methods, 1, 2021
6P0E	Human DNA Ligase 1 (E346A,E592A) bound to adenylated DNA containing an 8-oxo guanine:adenine base-pair 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... 著者 Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A. 登録日 2019-05-16 公開日 2019-12-11 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Two-tiered enforcement of high-fidelity DNA ligation. Nat Commun, 10, 2019

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