6YKN
 
 | | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11b | | 分子名称: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | | 著者 | Pang, L, Strelkov, S.V, Weeks, S.D. | | 登録日 | 2020-04-06 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | | 主引用文献 | Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
Eur.J.Med.Chem., 211, 2021
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7Q01
 | | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | | 分子名称: | (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-(((1R,2R)-2-(methoxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | | 登録日 | 2021-10-13 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
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6IZ1
 | | Crystal Structure Analysis of a Eukaryotic Membrane Protein | | 分子名称: | CALCIUM ION, CHLORIDE ION, Trimeric intracellular cation channel type A | | 著者 | Wang, X.H, Zeng, Y, Gao, F, Su, M, Chen, Y.H. | | 登録日 | 2018-12-18 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.399 Å) | | 主引用文献 | Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7KG8
 | | Structure of human PARG complexed with PARG-061 | | 分子名称: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one, CACODYLATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | | 登録日 | 2020-10-16 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
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7ZNS
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8SC8
 | | Structure of PI3KG in complex with MTX-531 | | 分子名称: | N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | 著者 | Whitehead, C.E, Leopold, J. | | 登録日 | 2023-04-05 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.687 Å) | | 主引用文献 | Structure of PI3KG in complex with MTX-531
To Be Published
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5UP8
 | | Crystal Structure of the Zn-bound Human Heavy-Chain variant 122H-delta C-star with para-benzenedihydroxamate | | 分子名称: | Ferritin heavy chain, N,N'-dihydroxybenzene-1,4-dicarboxamide, SODIUM ION, ... | | 著者 | Bailey, J.B, Zhang, L, Chiong, J.C, Ahn, S, Tezcan, F.A. | | 登録日 | 2017-02-01 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.631 Å) | | 主引用文献 | Synthetic Modularity of Protein-Metal-Organic Frameworks.
J. Am. Chem. Soc., 139, 2017
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6YKW
 | | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11h | | 分子名称: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | | 著者 | Pang, L, Strelkov, S.V, Weeks, S.D. | | 登録日 | 2020-04-06 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
Eur.J.Med.Chem., 211, 2021
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6POB
 | | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(thiazol-4-ylmethoxy)phenyl)-4-methylquinolin-2-amine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine, GLYCEROL, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2019-07-03 | | 公開日 | 2020-04-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
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7PVZ
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8A8L
 | | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment | | 分子名称: | 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, Cytochrome P450 protein, GLYCEROL, ... | | 著者 | Snee, M, Katariya, M, Levy, C. | | 登録日 | 2022-06-23 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
To Be Published
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7L6W
 | | SFX structure of the MyD88 TIR domain higher-order assembly | | 分子名称: | Myeloid differentiation primary response protein MyD88 | | 著者 | Clabbers, M.T.B, Holmes, S, Muusse, T.W, Vajjhala, P, Thygesen, S.J, Malde, A.K, Hunter, D.J.B, Croll, T.I, Flueckiger, L, Nanson, J.D, Rahaman, M.H, Aquila, A, Hunter, M.S, Liang, M, Yoon, C.H, Zhao, J, Zatsepin, N.A, Abbey, B, Sierecki, E, Gambin, Y, Stacey, K.J, Darmanin, C, Kobe, B, Xu, H, Ve, T. | | 登録日 | 2020-12-24 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography.
Nat Commun, 12, 2021
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5UPH
 | | Lipids bound lysosomal integral membrane protein 2 | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-phosphono-beta-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Conrad, K.S, Liu, S. | | 登録日 | 2017-02-03 | | 公開日 | 2017-12-13 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Lysosomal integral membrane protein-2 as a phospholipid receptor revealed by biophysical and cellular studies.
Nat Commun, 8, 2017
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8RPJ
 | | JanthE from Janthinobacterium sp. HH01 | | 分子名称: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Lanza, L, Leogrande, C, Rabe von Pappenheim, F, Tittmann, K, Mueller, M. | | 登録日 | 2024-01-16 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Identification and Characterization of Thiamine Diphosphate-Dependent Lyases with an Unusual CDG Motif.
Angew.Chem.Int.Ed.Engl., 63, 2024
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7PVO
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6BHG
 | | Crystal structure of SETDB1 with a modified H3 peptide | | 分子名称: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION | | 著者 | Qin, S, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2017-10-30 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
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8RPI
 | | JanthE from Janthinobacterium sp. HH01, lactyl-ThDP | | 分子名称: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | 著者 | Lanza, L, Leogrande, C, Rabe von Pappenheim, F, Tittmann, K, Mueller, M. | | 登録日 | 2024-01-16 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Identification and Characterization of Thiamine Diphosphate-Dependent Lyases with an Unusual CDG Motif.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8RPH
 | | JanthE from Janthinobacterium sp. HH01,ketobutyryl-ThDP | | 分子名称: | (2~{S})-2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-2-yl]-2-oxidanyl-butanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | 著者 | Lanza, L, Leogrande, C, Rabe von Pappenheim, F, Tittmann, K, Mueller, M. | | 登録日 | 2024-01-16 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | | 主引用文献 | Identification and Characterization of Thiamine Diphosphate-Dependent Lyases with an Unusual CDG Motif.
Angew.Chem.Int.Ed.Engl., 63, 2024
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6POU
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(4-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine, GADOLINIUM ATOM, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2019-07-05 | | 公開日 | 2020-04-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.194 Å) | | 主引用文献 | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
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6J98
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5V4G
 | | Ruthenium(II)(cymene)(chlorido)2-lysozyme adduct with two binding sites | | 分子名称: | Lysozyme C, PARA-CYMENE RUTHENIUM CHLORIDE, SODIUM ION | | 著者 | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | | 登録日 | 2017-03-09 | | 公開日 | 2017-04-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | The metalation of hen egg white lysozyme impacts protein stability as shown by ion mobility mass spectrometry, differential scanning calorimetry, and X-ray crystallography.
Chem. Commun. (Camb.), 53, 2017
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8A4D
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7Q4N
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6YKX
 | | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11j | | 分子名称: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | | 著者 | Pang, L, Strelkov, S.V, Weeks, S.D. | | 登録日 | 2020-04-06 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
Eur.J.Med.Chem., 211, 2021
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7KW3
 | | Non Ribosomal PCP domain | | 分子名称: | PCP domain, SULFATE ION | | 著者 | Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J. | | 登録日 | 2020-11-29 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity.
Nat Commun, 12, 2021
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