8OTM
 
 | | structure of InhA from mycobacterium tuberculosis in complex with N-((1-(3-hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-oxo-2H-chromene-3-carboxamide | | 分子名称: | 1,2-ETHANEDIOL, 2-oxidanylidene-~{N}-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methyl]chromene-3-carboxamide, ACETATE ION, ... | | 著者 | Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L. | | 登録日 | 2023-04-21 | | 公開日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA.
Eur.J.Med.Chem., 259, 2023
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8OTN
 | | structure of InhA from mycobacterium tuberculosis in complex with inhibitor 7-((1-(3-Hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4-methyl-2H-chromen-2-one | | 分子名称: | 4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L. | | 登録日 | 2023-04-21 | | 公開日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.962 Å) | | 主引用文献 | Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA.
Eur.J.Med.Chem., 259, 2023
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8OTL
 | | structure of InhA from Mycobacterium tuberculosis in complex with 5-(((4-(2-hydroxyphenoxy)benzyl)(octyl)amino)methyl)-2-phenoxyphenol | | 分子名称: | 1,2-ETHANEDIOL, 5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol, ACETATE ION, ... | | 著者 | Tamhaev, R, Maveyraud, L, Chebaiki, M, Lherbet, C, Mourey, L. | | 登録日 | 2023-04-21 | | 公開日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.108 Å) | | 主引用文献 | Exploring the plasticity of the InhA substrate-binding site using new diaryl ether inhibitors.
Bioorg.Chem., 143, 2023
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8P37
 | | Structure a catalytically inactive mutant of the IMP dehydrogenase related protein GUAB3 from Synechocystis PCC 6803 | | 分子名称: | IMP dehydrogenase subunit, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, XANTHOSINE-5'-MONOPHOSPHATE | | 著者 | Hernandez-Gomez, A, Fernandez-Justel, D, Buey, R.M. | | 登録日 | 2023-05-17 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.219 Å) | | 主引用文献 | GuaB3, an overlooked enzyme in cyanobacteria's toolbox that sheds light on IMP dehydrogenase evolution.
Structure, 31, 2023
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1ZTV
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4MDO
 | | Crystal structure of a GH1 beta-glucosidase from the fungus Humicola insolens | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucosidase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Giuseppe, P.O, Souza, T.A.C.B, Souza, F.H.M, Zanphorlin, L.M, Machado, C.B, Ward, R.J, Jorge, J.A, Furriel, R.P.M, Murakami, M.T. | | 登録日 | 2013-08-23 | | 公開日 | 2014-06-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural basis for glucose tolerance in GH1 beta-glucosidases.
Acta Crystallogr.,Sect.D, 70, 2014
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4MFF
 | | Structure of human DNA polymerase beta complexed with O6MG in the template base paired with incoming non-hydrolyzable TTP | | 分子名称: | 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA polymerase beta, MAGNESIUM ION, ... | | 著者 | Koag, M.C, Min, K, Monzingo, A.F, Lee, S. | | 登録日 | 2013-08-27 | | 公開日 | 2014-04-16 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Metal-dependent conformational activation explains highly promutagenic replication across O6-methylguanine by human DNA polymerase beta.
J.Am.Chem.Soc., 136, 2014
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4MFC
 | | Structure of human DNA polymerase beta complexed with O6MG in the template base paired with incoming non-hydrolyzable CTP | | 分子名称: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA polymerase beta, MAGNESIUM ION, ... | | 著者 | Koag, M.C, Min, K, Monzingo, A.F, Lee, S. | | 登録日 | 2013-08-27 | | 公開日 | 2014-04-16 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Metal-dependent conformational activation explains highly promutagenic replication across O6-methylguanine by human DNA polymerase beta.
J.Am.Chem.Soc., 136, 2014
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4LQB
 | | Crystal structure of uncharacterized protein Kfla3161 | | 分子名称: | CITRIC ACID, GLYCEROL, Uncharacterized protein | | 著者 | Chang, C, Chhor, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2013-07-17 | | 公開日 | 2013-07-31 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Crystal structure of uncharacterized protein Kfla3161
To be Published
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1ZUD
 | | Structure of ThiS-ThiF protein complex | | 分子名称: | Adenylyltransferase thiF, CALCIUM ION, SODIUM ION, ... | | 著者 | Ealick, S.E, Lehmann, C. | | 登録日 | 2005-05-30 | | 公開日 | 2006-01-31 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structure of the Escherichia coli ThiS-ThiF Complex, a Key Component of the Sulfur Transfer System in Thiamin Biosynthesis.
Biochemistry, 45, 2006
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1ZUP
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1ZT4
 | | The crystal structure of human CD1d with and without alpha-Galactosylceramide | | 分子名称: | Beta-2-microglobulin, N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE, T-cell surface glycoprotein CD1d | | 著者 | Koch, M, Stronge, V.S, Shepherd, D, Gadola, S.D, Mathew, B, Ritter, G, Fersht, A.R, Besra, G.S, Schmidt, R.R, Jones, E.Y, Cerundolo, V, Structural Proteomics in Europe (SPINE) | | 登録日 | 2005-05-26 | | 公開日 | 2005-07-19 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The crystal structure of human CD1d with and without alpha-galactosylceramide
Nat.Immunol., 6, 2005
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4MF3
 | | Crystal Structure of Human GRIK1 complexed with a 6-(tetrazolyl)aryl decahydroisoquinoline antagonist | | 分子名称: | (3S,4aS,6S,8aR)-6-[3-chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid, Glutamate receptor ionotropic, kainate 1 | | 著者 | Martinez-Perez, J.A, Iyengar, S, Shannon, H.E, Bleakman, D, Alt, A, Clawson, D.K, Arnold, B.M, Bell, M.G, Bleisch, T.J, Castano, A.M, Del Prado, M, Dominguez, E, Escribano, A.M, Filla, S.A, Ho, K.H, Hudziak, K.J, Jones, C.K, Katofiasc, M.A, Mateo, A, Mathes, B.M, Mattiuz, E.L, Ogden, A.M.L, Phebus, L.A, Simmons, R.M.A, Stack, D.R, Stratford, R.E, Winter, M.A, Wu, Z, Ornstein, P.L. | | 登録日 | 2013-08-27 | | 公開日 | 2014-05-07 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | GluK1 antagonists from 6-(tetrazolyl)phenyl decahydroisoquinoline derivatives: in vitro profile and in vivo analgesic efficacy.
Bioorg.Med.Chem.Lett., 23, 2013
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4MDQ
 | | Structure of a novel submicromolar MDM2 inhibitor | | 分子名称: | 3-[(1R)-2-(benzylamino)-1-{[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl]-6-chloro-N-hydroxy-1H-indole-2-carboxamide, E3 ubiquitin-protein ligase Mdm2 | | 著者 | Bista, M, Popowicz, G, Holak, T.A. | | 登録日 | 2013-08-23 | | 公開日 | 2013-11-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.119 Å) | | 主引用文献 | Transient Protein States in Designing Inhibitors of the MDM2-p53 Interaction.
Structure, 21, 2013
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4LR6
 | | Structure of BRD4 bromodomain 1 with a 3-methyl-4-phenylisoxazol-5-amine fragment | | 分子名称: | 3-methyl-4-phenyl-1,2-oxazol-5-amine, Bromodomain-containing protein 4, FORMIC ACID | | 著者 | Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Ravichandran, S, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | | 登録日 | 2013-07-19 | | 公開日 | 2013-08-07 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
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4MFA
 | | Structure of human DNA polymerase beta complexed with nicked DNA containing a mismatched template O6MG and incoming TTP | | 分子名称: | DNA polymerase beta, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Koag, M.C, Min, K, Monzingo, A.F, Lee, S. | | 登録日 | 2013-08-27 | | 公開日 | 2014-08-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Structures of human DNA polymerase beta inserting bases opposite templating O6MG
To be Published
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4MI0
 | | Human Enhancer of Zeste (Drosophila) Homolog 2(EZH2) | | 分子名称: | Histone-lysine N-methyltransferase EZH2, UNKNOWN ATOM OR ION, ZINC ION | | 著者 | Dong, A, Zeng, H, He, H, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | | 登録日 | 2013-08-30 | | 公開日 | 2013-09-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure of the catalytic domain of EZH2 reveals conformational plasticity in cofactor and substrate binding sites and explains oncogenic mutations.
Plos One, 8, 2013
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4LOA
 | | X-ray structure of the de-novo design amidase at the resolution 1.8A, Northeast Structural Genomics Consortium (NESG) Target OR398 | | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, De-novo design amidase | | 著者 | Kuzin, A, Lew, S, Vorobiev, S.M, Seetharaman, J, Sahdev, S, Xiao, R, Maglaqui, M, Kogan, S, Khersonsky, O, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2013-07-12 | | 公開日 | 2013-08-07 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.819 Å) | | 主引用文献 | Northeast Structural Genomics Consortium Target OR398
To be Published
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4LTE
 | | Structure of Cysteine-free Human Insulin Degrading Enzyme in Complex with Macrocyclic Inhibitor | | 分子名称: | 2,6-DIAMINO-HEXANOIC ACID AMIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FUMARIC ACID, ... | | 著者 | Foda, Z.H, Seeliger, M.A, Saghatelian, A, Liu, D.R. | | 登録日 | 2013-07-23 | | 公開日 | 2014-05-21 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.705 Å) | | 主引用文献 | Anti-diabetic activity of insulin-degrading enzyme inhibitors mediated by multiple hormones.
Nature, 511, 2014
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4LOR
 | | C1s CUB1-EGF-CUB2 in complex with a collagen-like peptide from C1q | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C1s subcomponent heavy chain, ... | | 著者 | Wallis, R, Venkatraman Girija, U, Moody, P.C.E, Marshall, J.E. | | 登録日 | 2013-07-13 | | 公開日 | 2013-08-07 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis of the C1q/C1s interaction and its central role in assembly of the C1 complex of complement activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4LT9
 | | Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR404 | | 分子名称: | Engineered Protein OR404 | | 著者 | Vorobiev, S, Su, M, Bjelic, S, Kipnis, Y, Wang, L, Sahdev, S, Xiao, R, Kogan, S, Maglaqui, M, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2013-07-23 | | 公開日 | 2013-08-14 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Crystal Structure of Engineered Protein OR404.
To be Published
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2A78
 | | Crystal structure of the C3bot-RalA complex reveals a novel type of action of a bacterial exoenzyme | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mono-ADP-ribosyltransferase C3, ... | | 著者 | Pautsch, A, Vogelsgesang, M, Trankle, J, Herrmann, C, Aktories, K. | | 登録日 | 2005-07-05 | | 公開日 | 2005-10-11 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Crystal structure of the C3bot-RalA complex reveals a novel type of action of a bacterial exoenzyme.
Embo J., 24, 2005
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2A86
 | | Crystal structure of A Pantothenate synthetase complexed with AMP and beta-alanine | | 分子名称: | ADENOSINE MONOPHOSPHATE, BETA-ALANINE, ETHANOL, ... | | 著者 | Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2005-07-07 | | 公開日 | 2006-02-21 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
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4M2Y
 | | Structure of human DNA polymerase beta complexed with 8-BrG as the template base in a 1-nucleotide gapped DNA | | 分子名称: | DNA polymerase beta, SODIUM ION, down-primer, ... | | 著者 | Koag, M.C, Min, K, Monzingo, A.F, Lee, S. | | 登録日 | 2013-08-05 | | 公開日 | 2014-01-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
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2A90
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