5I3D
 
 | | Sulfolobus solfataricus beta-glycosidase - E387Y mutant | | 分子名称: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ACETATE ION, Beta-galactosidase | | 著者 | Iglesias-Fernandez, J, Hancock, S.M, Lee, S.S, McAuley, K.E, Fordham-Skelton, A, Rovira, C, Davis, B.D. | | 登録日 | 2016-02-10 | | 公開日 | 2017-02-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | A front-face 'SNi synthase' engineered from a retaining 'double-SN2' hydrolase.
Nat. Chem. Biol., 13, 2017
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4U13
 | | Crystal structure of putative polyketide cyclase (protein SMa1630) from Sinorhizobium meliloti at 2.3 A resolution | | 分子名称: | putative polyketide cyclase SMa1630 | | 著者 | Shabalin, I.G, Bacal, P, Osinski, T, Cooper, D.R, Szlachta, K, Stead, M, Grabowski, M, Hammonds, J, Ahmed, M, Hillerich, B.S, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2014-07-14 | | 公開日 | 2014-09-10 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of a putative polyketide cyclase (protein SMa1630) from Sinorhizobium meliloti at 2.3 A resolution
to be published
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6I1P
 | | Respiratory complex I from Thermus thermophilus with bound NADH | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | 著者 | Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A. | | 登録日 | 2018-10-29 | | 公開日 | 2020-09-02 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.207 Å) | | 主引用文献 | Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
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6I0D
 | | Respiratory complex I from Thermus thermophilus with bound Decyl-Ubiquinone | | 分子名称: | 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | 著者 | Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A. | | 登録日 | 2018-10-25 | | 公開日 | 2020-09-02 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
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6QU5
 | | Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb12 | | 分子名称: | 1-[(3,4-dichlorophenyl)methyl]imidazole, ATP-dependent 6-phosphofructokinase, CITRIC ACID, ... | | 著者 | McNae, I.W, Dornan, J, Walkinshaw, M.D. | | 登録日 | 2019-02-26 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice.
Nat Commun, 12, 2021
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6QU3
 | | Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb360 | | 分子名称: | 1-[(3,4-dichlorophenyl)methyl]-7~{H}-pyrrolo[3,2-c]pyridin-4-one, ATP-dependent 6-phosphofructokinase, CITRIC ACID, ... | | 著者 | McNae, I.W, Dornan, J, Walkinshaw, M.D. | | 登録日 | 2019-02-26 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice.
Nat Commun, 12, 2021
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5AJP
 | | Crystal structure of the active form of GalNAc-T2 in complex with UDP and the glycopeptide MUC5AC-13 | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MANGANESE (II) ION, MUCIN, ... | | 著者 | Lira-Navarrete, E, delasRivas, M, Companon, I, Pallares, M.C, Kong, Y, Iglesias-Fernandez, J, Bernardes, G.J.L, Peregrina, J.M, Rovira, C, Bernado, P, Bruscolini, P, Clausen, H, Lostao, A, Corzana, F, Hurtado-Guerrero, R. | | 登録日 | 2015-02-26 | | 公開日 | 2015-03-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation.
Nat.Commun., 6, 2015
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5AJN
 | | Crystal structure of the inactive form of GalNAc-T2 in complex with the glycopeptide MUC5AC-Cys13 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUCIN, ... | | 著者 | Lira-Navarrete, E, delasRivas, M, Companon, I, Pallares, M.C, Kong, Y, Iglesias-Fernandez, J, Bernardes, G.J.L, Peregrina, J.M, Rovira, C, Bernado, P, Bruscolini, P, Clausen, H, Lostao, A, Corzana, F, Hurtado-Guerrero, R. | | 登録日 | 2015-02-26 | | 公開日 | 2015-03-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation.
Nat.Commun., 6, 2015
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5AJO
 | | Crystal structure of the inactive form of GalNAc-T2 in complex with the glycopeptide MUC5AC-3,13 | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUCIN, POLYPEPTIDE N-ACETYLGALACTOSAMINYLTRANSFERASE 2, ... | | 著者 | Lira-Navarrete, E, delasRivas, M, Companon, I, Pallares, M.C, Kong, Y, Iglesias-Fernandez, J, Bernardes, G.J.L, Peregrina, J.M, Rovira, C, Bernado, P, Bruscolini, P, Clausen, H, Lostao, A, Corzana, F, Hurtado-Guerrero, R. | | 登録日 | 2015-02-26 | | 公開日 | 2015-03-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation.
Nat.Commun., 6, 2015
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4XAP
 | | Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021 | | 分子名称: | Aldo-keto reductase | | 著者 | Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2014-12-15 | | 公開日 | 2014-12-31 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021
to be published
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4D0T
 | | GalNAc-T2 crystal soaked with UDP-GalNAc, EA2 peptide and manganese | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, MANGANESE (II) ION, ... | | 著者 | Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R. | | 登録日 | 2014-04-30 | | 公開日 | 2014-05-28 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N-Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4XA8
 | | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Xanthobacter autotrophicus Py2 | | 分子名称: | D-isomer specific 2-hydroxyacid dehydrogenase NAD-binding | | 著者 | Handing, K.B, Gasiorowska, O.A, Shabalin, I.G, Cymborowski, M.T, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2014-12-12 | | 公開日 | 2015-01-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Xanthobacter autotrophicus Py2.
to be published
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4D0Z
 | | GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 and manganese (Higher resolution dataset) | | 分子名称: | (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose, ... | | 著者 | Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R. | | 登録日 | 2014-04-30 | | 公開日 | 2014-05-28 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4D0Y
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4D11
 | | GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 peptide and manganese (Lower resolution dataset) | | 分子名称: | 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose, MANGANESE (II) ION, PEPTIDE, ... | | 著者 | Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R. | | 登録日 | 2014-05-01 | | 公開日 | 2014-05-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
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6S16
 | | T. thermophilus RuvC in complex with Holliday junction substrate | | 分子名称: | CHLORIDE ION, Crossover junction endodeoxyribonuclease RuvC, DNA (33-MER), ... | | 著者 | Gorecka, K.M, Krepl, M, Szlachcic, A, Poznanski, J, Sponer, J, Nowotny, M. | | 登録日 | 2019-06-18 | | 公開日 | 2019-09-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.409 Å) | | 主引用文献 | RuvC uses dynamic probing of the Holliday junction to achieve sequence specificity and efficient resolution.
Nat Commun, 10, 2019
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5BP7
 | | Crystal structure of SAM-dependent methyltransferase from Geobacter sulfurreducens in complex with S-Adenosyl-L-homocysteine | | 分子名称: | CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, SAM-dependent methyltransferase | | 著者 | Kutner, J, Shabalin, I.G, Mason, D.V, Handing, K.B, Gasiorowska, O.A, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2015-05-27 | | 公開日 | 2015-06-10 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of SAM-dependent methyltransferase from Geobacter sulfurreducens in complex with S-Adenosyl-L-homocysteine
to be published
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5TX7
 | | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Desulfovibrio vulgaris | | 分子名称: | D-isomer specific 2-hydroxyacid dehydrogenase family protein, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL | | 著者 | Czub, M.P, Shabalin, I.G, Gasiorowska, O.A, Handing, K.B, Kutner, J, Cymborowski, M.T, Hennig, P.M, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2016-11-15 | | 公開日 | 2016-12-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Desulfovibrio vulgaris
to be published
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3SNL
 | | Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors | | 分子名称: | 6-chloro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(trifluoromethyl)imidazo[1,5-a]quinoxaline, MAGNESIUM ION, ZINC ION, ... | | 著者 | Malamas, M.S, Ni, Y, Erdei, J, Stange, H, Schindler, R, Lankau, H.-J, Grunwald, C, Fan, K.Y, Parris, K.D, Langen, B, Egerland, U, Hage, T, Marquis, K.L, Grauer, S, Brennan, J, Navarra, R, Graf, R, Harrison, B.L, Robichaud, A, Kronbach, T, Pangalos, M, Hofgen, N, Brandon, N.J. | | 登録日 | 2011-06-29 | | 公開日 | 2011-10-26 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Highly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors.
J.Med.Chem., 54, 2011
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4J2H
 | | Crystal structure of a putative short-chain alcohol dehydrogenase from Sinorhizobium meliloti 1021 (Target NYSGRC-011708) | | 分子名称: | 1,2-ETHANEDIOL, PENTAETHYLENE GLYCOL, SODIUM ION, ... | | 著者 | Sampathkumar, P, Gizzi, A, Ahmed, M, Banu, N, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Fiser, A, Glenn, A.S, Hammonds, J, Hillerich, B, Khafizov, K, Lafleur, J, Love, J.D, Stead, M, Seidel, R, Toro, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2013-02-04 | | 公開日 | 2013-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of a putative short-chain alcohol dehydrogenase from Sinorhizobium meliloti 1021 (Target NYSGRC-011708)
to be published
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6YWN
 | | CutA in complex with CMPCPP | | 分子名称: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, CALCIUM ION, CutA | | 著者 | Malik, D, Kobylecki, K, Krawczyk, P, Poznanski, J, Jakielaszek, A, Napiorkowska, A, Dziembowski, A, Tomecki, R, Nowotny, M. | | 登録日 | 2020-04-29 | | 公開日 | 2020-08-05 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structure and mechanism of CutA, RNA nucleotidyl transferase with an unusual preference for cytosine.
Nucleic Acids Res., 48, 2020
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6YWP
 | | Structure of apo-CutA | | 分子名称: | CutA, MAGNESIUM ION | | 著者 | Malik, D, Kobylecki, K, Krawczyk, P, Poznanski, J, Jakielaszek, A, Napiorkowska, A, Dziembowski, A, Tomecki, R, Nowotny, M. | | 登録日 | 2020-04-29 | | 公開日 | 2020-08-05 | | 最終更新日 | 2020-09-30 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structure and mechanism of CutA, RNA nucleotidyl transferase with an unusual preference for cytosine.
Nucleic Acids Res., 48, 2020
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6YWO
 | | CutA in complex with A3 RNA | | 分子名称: | CHLORIDE ION, CutA, MAGNESIUM ION, ... | | 著者 | Malik, D, Kobylecki, K, Krawczyk, P, Poznanski, J, Jakielaszek, A, Napiorkowska, A, Dziembowski, A, Tomecki, R, Nowotny, M. | | 登録日 | 2020-04-29 | | 公開日 | 2020-08-05 | | 最終更新日 | 2020-09-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure and mechanism of CutA, RNA nucleotidyl transferase with an unusual preference for cytosine.
Nucleic Acids Res., 48, 2020
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3M7V
 | | Crystal structure of phosphopentomutase from streptococcus mutans | | 分子名称: | GLYCEROL, MANGANESE (II) ION, Phosphopentomutase | | 著者 | Fedorov, A.A, Bonanno, J, Fedorov, E.V, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2010-03-17 | | 公開日 | 2010-04-07 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of phosphopentomutase from streptococcus mutans
To be Published
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4O9K
 | | Crystal structure of the CBS pair of a putative D-arabinose 5-phosphate isomerase from Methylococcus capsulatus in complex with CMP-Kdo | | 分子名称: | Arabinose 5-phosphate isomerase, CYTIDINE 5'-MONOPHOSPHATE 3-DEOXY-BETA-D-GULO-OCT-2-ULO-PYRANOSONIC ACID, GLYCEROL | | 著者 | Shabalin, I.G, Cooper, D.R, Shumilin, I.A, Zimmerman, M.D, Majorek, K.A, Hammonds, J, Hillerich, B.S, Nawar, A, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2014-01-02 | | 公開日 | 2014-01-22 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal structure and kinetic properties of D-arabinose 5-phosphate isomerase from Methylococcus capsulatus
To be Published
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