PDB: 35415 件ウェブページステータス検索Chemie searchBIRD

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8OGX	Beta-glucuronidase from Acidobacterium capsulatum in complex with inhibitor R3794 分子名称: (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, PHOSPHATE ION, beta-glucuronidase from Acidobacterium capsulatum 著者 Moran, E.M, Davies, G.J, Chen, C, Nieuwendijk, E.V, Wu, L, Skoulikopoulou, F, Riet, V.V, Overkleeft, H.S, Armstrong, Z. 登録日 2023-03-20 公開日 2024-01-10 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
8OHU	Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with glucuronic acid configured isofagamine 分子名称: (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, beta-glucuronidase from Acidobacterium capsulatum 著者 Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. 登録日 2023-03-21 公開日 2024-01-10 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
5NED	CryoEM Structure of Foot and Mouth Disease Virus O PanAsia 分子名称: O PanAsia VP1, O PanAsia VP2, O PanAsia VP3, ... 著者 Kotecha, A, Stuart, D. 登録日 2017-03-10 公開日 2017-06-21 最終更新日 2024-05-15 実験手法 ELECTRON MICROSCOPY (3.1 Å) 主引用文献 Rules of engagement between alpha v beta 6 integrin and foot-and-mouth disease virus. Nat Commun, 8, 2017
8EBM	Structure of KLHDC2 substrate binding domain bound to KLHDC2's C-degron mimic 分子名称: ASN-GLN-ARG-PHE-GLY-SER-ASN-ASN-THR-SER-GLY-SER, Kelch domain-containing protein 2 著者 Scott, D.C, Schulman, B.A. 登録日 2022-08-31 公開日 2023-02-22 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 E3 ligase autoinhibition by C-degron mimicry maintains C-degron substrate fidelity. Mol.Cell, 83, 2023
6BJW	Eubacterium eligens Beta-glucuronidase 分子名称: Glycoside Hydrolase Family 2 candidate b-glucuronidase 著者 Pellock, S.J, Walton, W.G, Redinbo, M.R. 登録日 2017-11-07 公開日 2018-07-25 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Gut Microbial beta-Glucuronidase Inhibition via Catalytic Cycle Interception. ACS Cent Sci, 4, 2018
6BK8	S. cerevisiae spliceosomal post-catalytic P complex 分子名称: GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Lea1, ... 著者 Liu, S, Li, X, Zhou, Z.H, Zhao, R. 登録日 2017-11-07 公開日 2018-02-21 最終更新日 2020-10-14 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 Structure of the yeast spliceosomal postcatalytic P complex. Science, 358, 2017
6BJP	Apo form of the E124S mutant of betaine aldehyde dehydrogenase from Pseudomonas aeruginosa 分子名称: 1,2-ETHANEDIOL, GLYCEROL, NAD/NADP-dependent betaine aldehyde dehydrogenase, ... 著者 Carrizosa-Carbajal, E.I, Gonzalez-Segura, L, Munoz-Clares, R.A. 登録日 2017-11-06 公開日 2018-11-14 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.102 Å) 主引用文献 Structural role of Glu124 of betaine aldehyde dehydrogenase from Pseudomonas aeruginosa To Be Published
8E4I	Co-crystal structure of Chaetomium glucosidase with compound 6 分子名称: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{[(4P)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}hexyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Karade, S.S, Mariuzza, R.A. 登録日 2022-08-18 公開日 2023-02-22 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
8E6G	Co-crystal structure of Chaetomium glucosidase with compound 10 分子名称: (2R,3R,4R,5S)-1-(6-{[(5M)-3-cyclopropyl-5-(pyridazin-3-yl)phenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Karade, S.S, Mariuzza, R.A. 登録日 2022-08-22 公開日 2023-02-22 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
8B20	NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP57 分子名称: 1,2-ETHANEDIOL, 2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. 登録日 2022-09-12 公開日 2023-12-27 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria. Pharmaceuticals, 16, 2023
6BKY	Novel Binding Modes of Inhibition of Wild-Type IDH1: Allosteric Inhibition with Cmpd2 分子名称: (2S)-2-hydroxybutanedioic acid, 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE, Isocitrate dehydrogenase [NADP] cytoplasmic, ... 著者 Jakob, C.G, Qiu, W. 登録日 2017-11-09 公開日 2018-07-25 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.17 Å) 主引用文献 Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315. J. Med. Chem., 61, 2018
6BOV	Human APE1 substrate complex with an A/G mismatch adjacent the THF 分子名称: 21-mer DNA, DI(HYDROXYETHYL)ETHER, DNA-(apurinic or apyrimidinic site) lyase 著者 Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S. 登録日 2017-11-20 公開日 2018-08-15 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.975 Å) 主引用文献 Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches. Acta Crystallogr D Struct Biol, 74, 2018
8EBN	Structure of KLHDC2-EloB/C tetrameric assembly 分子名称: Elongin-B, Elongin-C, Kelch domain-containing protein 2 著者 Scott, D.C, Schulman, B.A. 登録日 2022-08-31 公開日 2023-02-22 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 E3 ligase autoinhibition by C-degron mimicry maintains C-degron substrate fidelity. Mol.Cell, 83, 2023
8B1Z	NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP56 分子名称: 1,2-ETHANEDIOL, 3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. 登録日 2022-09-12 公開日 2023-12-27 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria. Pharmaceuticals, 16, 2023
8OPX	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Trehalose (Fragment-B-TRE) 分子名称: 3-hydroxyacyl-CoA dehydrogenase, Putative acyltransferase Rv0859, SULFATE ION, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-10 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
8B1W	NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP35 分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[(~{E})-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiol, ... 著者 Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. 登録日 2022-09-12 公開日 2023-12-27 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria. Pharmaceuticals, 16, 2023
8OQO	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-49 分子名称: 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-12 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
6BOQ	Human APE1 substrate complex with an A/A mismatch adjacent the THF 分子名称: 1,2-ETHANEDIOL, 21-mer DNA, DNA-(apurinic or apyrimidinic site) lyase 著者 Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S. 登録日 2017-11-20 公開日 2018-08-15 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches. Acta Crystallogr D Struct Biol, 74, 2018
5LV5	Crystal structure of mouse PRMT6 in complex with inhibitor LH1458 分子名称: 2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]-[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]azanium, Protein arginine N-methyltransferase 6 著者 Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J. 登録日 2016-09-12 公開日 2017-09-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.802 Å) 主引用文献 Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors. Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
8E4K	Co-crystal structure of Chaetomium glucosidase with compound 7 分子名称: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-({(4M)-4-[2-(morpholin-4-yl)pyrimidin-4-yl]-2-nitrophenyl}amino)hexyl]piperidine-3,4,5-triol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Karade, S.S, Mariuzza, R.A. 登録日 2022-08-18 公開日 2023-02-22 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity. J.Med.Chem., 66, 2023
5LVI	Hen Egg White Lysozyme co-crystallized with [HIsq][trans-RuCl4(DMSO)(Isq)] 分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ... 著者 Kurpiewska, K, Halajko, P, Lewinski, K. 登録日 2016-09-14 公開日 2016-09-28 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Ligand-dependent interaction of anticancer ruthenium complexes with hen egg white lysozyme and human lysozyme To Be Published
5TPQ	E. coli alkaline phosphatase D101A, D153A, R166S, E322A, K328A mutant 分子名称: Alkaline phosphatase, PHOSPHATE ION, ZINC ION 著者 Sunden, F, AlSadhan, I, Lyubimov, A.Y, Doukov, T, Swan, J, Herschlag, D. 登録日 2016-10-20 公開日 2017-11-01 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Differential catalytic promiscuity of the alkaline phosphatase superfamily bimetallo core reveals mechanistic features underlying enzyme evolution. J. Biol. Chem., 292, 2017
8OQL	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-1 分子名称: 3-hydroxyacyl-CoA dehydrogenase, FORMAMIDE, GLYCEROL, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-12 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
8EBL	Structure of KLHDC2 substrate binding domain bound to C-degron from EPHB2 分子名称: GLU-ASP-SER-HIS-LYS-GLU-SER-ASN-ASP-CYS-SER-CYS-GLY-GLY, Kelch domain-containing protein 2 著者 Scott, D.C, Schulman, B.A. 登録日 2022-08-31 公開日 2023-02-22 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 E3 ligase autoinhibition by C-degron mimicry maintains C-degron substrate fidelity. Mol.Cell, 83, 2023
6BPX	Crystal structure of cysteine-bound ferrous form of the matured Cl2-Tyr157 human cysteine dioxygenase 分子名称: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ... 著者 Liu, A, Li, J, Shin, I. 登録日 2017-11-26 公開日 2018-07-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase. Nat. Chem. Biol., 14, 2018

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