4GN2
| Crystal Structure of OXA-45, a Class D beta-lactamase with extended spectrum activity | 分子名称: | Oxacillinase | 著者 | Martin, J.D, Xiong, X.L, Catto, L.E, Toleman, M.A, Walsh, T.R, Clarke, A.R, Spencer, J. | 登録日 | 2012-08-16 | 公開日 | 2013-08-21 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Structural and Kinetic Characterization of OXA-45, a Class D beta-Lactamase with Extended Spectrum activity To be Published
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4UVR
| Binding mode, selectivity and potency of N-indolyl-oxopyridinyl-4- amino-propanyl-based inhibitors targeting Trypanosoma cruzi CYP51 | 分子名称: | Nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-N-pyridin-4-yl-D-tryptophanamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-DEMETHYLASE, ... | 著者 | Vieira, D.F, Choi, J.Y, Calvet, C.M, Gut, J, Kellar, D, Siqueira-Neto, J.L, Johnston, J.B, McKerrow, J.H, Roush, W.R, Podust, L.M. | 登録日 | 2014-08-08 | 公開日 | 2014-11-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Binding Mode and Potency of N-Indolyl-Oxopyridinyl-4-Amino-Propanyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51 J.Med.Chem., 57, 2014
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4V3B
| The structure of alpha2,3-sialyltransferase variant 1 from Pasteurella dagmatis in complex with the donor product CMP | 分子名称: | CYTIDINE-5'-MONOPHOSPHATE, SIALYLTRANSFERASE | 著者 | Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K. | 登録日 | 2014-10-17 | 公開日 | 2015-04-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign Chem.Commun.(Camb.), 51, 2015
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4V3C
| The structure of alpha2,3-sialyltransferase variant 2 from Pasteurella dagmatis in complex with the donor product CMP | 分子名称: | CYTIDINE-5'-MONOPHOSPHATE, SIALYLTRANSFERASE | 著者 | Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K. | 登録日 | 2014-10-17 | 公開日 | 2015-04-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign Chem.Commun.(Camb.), 51, 2015
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4V39
| Apo-structure of alpha2,3-sialyltransferase variant 2 from Pasteurella dagmatis | 分子名称: | SIALYLTRANSFERASE | 著者 | Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K. | 登録日 | 2014-10-17 | 公開日 | 2015-04-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign Chem.Commun.(Camb.), 51, 2015
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4WCJ
| Structure of IcaB from Ammonifex degensii | 分子名称: | CHLORIDE ION, Polysaccharide deacetylase, ZINC ION | 著者 | Little, D.J, Bamford, N.C, Pokrovskaya, V, Robinson, H, Nitz, M, Howell, P.L. | 登録日 | 2014-09-04 | 公開日 | 2014-11-12 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural Basis for the De-N-acetylation of Poly-beta-1,6-N-acetyl-d-glucosamine in Gram-positive Bacteria. J.Biol.Chem., 289, 2014
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4W8D
| Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06454589). | 分子名称: | 5-(1-methyl-1H-pyrazol-4-yl)-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine, Serine/threonine-protein kinase 24 36 kDa subunit | 著者 | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | 登録日 | 2014-08-24 | 公開日 | 2015-03-18 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. J.Med.Chem., 58, 2015
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4W8E
| Structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06645342) | 分子名称: | 3-{4-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Serine/threonine-protein kinase 24 36 kDa subunit | 著者 | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | 登録日 | 2014-08-24 | 公開日 | 2015-03-18 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. J.Med.Chem., 58, 2015
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4V38
| Apo-structure of alpha2,3-sialyltransferase variant 1 from Pasteurella dagmatis | 分子名称: | SIALYLTRANSFERASE | 著者 | Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K. | 登録日 | 2014-10-17 | 公開日 | 2015-04-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign Chem.Commun.(Camb.), 51, 2015
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4V2U
| Apo-structure of alpha2,3-sialyltransferase from Pasteurella dagmatis | 分子名称: | SIALYLTRANSFERASE | 著者 | Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K. | 登録日 | 2014-10-15 | 公開日 | 2015-04-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign Chem.Commun.(Camb.), 51, 2015
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9F9Y
| SARS-CoV-2 BA-2.87.1 Spike ectodomain | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | 著者 | Ren, J, Stuart, D.I, Duyvesteyn, H.M.E. | 登録日 | 2024-05-09 | 公開日 | 2024-08-21 | 最終更新日 | 2024-09-04 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Concerted deletions eliminate a neutralizing supersite in SARS-CoV-2 BA.2.87.1 spike. Structure, 2024
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9EZ1
| Vitamin D receptor in complex with 1,4a,25-trihydroxyvitamin D3 | 分子名称: | 1,4a,25-trihydroxyvitamin D3, ACETATE ION, Nuclear receptor coactivator 2, ... | 著者 | Rochel, N. | 登録日 | 2024-04-10 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | 4-Hydroxy-1 alpha ,25-Dihydroxyvitamin D 3 : Synthesis and Structure-Function Study. Biomolecules, 14, 2024
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9EZ2
| Vitamin D receptor complex with 1,4b,25-trihydroxyvitamin D3 | 分子名称: | 1,4b,25-trihydroxyvitamin D3, ACETATE ION, Nuclear receptor coactivator 2, ... | 著者 | Rochel, N. | 登録日 | 2024-04-10 | 公開日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 4-Hydroxy-1 alpha ,25-Dihydroxyvitamin D 3 : Synthesis and Structure-Function Study. Biomolecules, 14, 2024
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9J9A
| Staphylococcus aureus exfoliative toxin D | 分子名称: | SULFATE ION, Serine protease, beta-D-glucopyranose | 著者 | Tonozuka, T. | 登録日 | 2024-08-22 | 公開日 | 2024-09-11 | 最終更新日 | 2024-09-25 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Crystal structure of exfoliative toxin D from Staphylococcus aureus. Biochem.Biophys.Res.Commun., 733, 2024
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7PRS
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6WET
| Crystal structures of human E-NPP 1: apo | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Peat, T.S, Dennis, M, Newman, J. | 登録日 | 2020-04-02 | 公開日 | 2020-09-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structures of human ENPP1 in apo and bound forms. Acta Crystallogr D Struct Biol, 76, 2020
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6WEV
| Crystal structures of human E-NPP 1: bound to N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Peat, T.S, Dennis, M, Newman, J. | 登録日 | 2020-04-03 | 公開日 | 2020-09-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal structures of human ENPP1 in apo and bound forms. Acta Crystallogr D Struct Biol, 76, 2020
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6WEW
| Crystal structures of human E-NPP 1: bound to N-{4-[(7-methoxyquinolin-4-yl)oxy]phenyl}sulfuric diamide | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Peat, T.S, Dennis, M, Newman, J. | 登録日 | 2020-04-03 | 公開日 | 2020-09-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Crystal structures of human ENPP1 in apo and bound forms. Acta Crystallogr D Struct Biol, 76, 2020
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6WEU
| Crystal structures of human E-NPP 1: bound to adenosine-5'-thio-monophosphate | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Peat, T.S, Dennis, M, Newman, J. | 登録日 | 2020-04-03 | 公開日 | 2020-09-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Crystal structures of human ENPP1 in apo and bound forms. Acta Crystallogr D Struct Biol, 76, 2020
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6WFJ
| Crystal structures of human E-NPP 1: apo | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Peat, T.S, Dennis, M, Newman, J. | 登録日 | 2020-04-03 | 公開日 | 2020-09-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structures of human ENPP1 in apo and bound forms. Acta Crystallogr D Struct Biol, 76, 2020
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5X9Q
| Crystal structure of HldC from Burkholderia pseudomallei | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Putative cytidylyltransferase | 著者 | Park, J, Kim, H, Kim, S, Lee, D, Shin, D.H. | 登録日 | 2017-03-08 | 公開日 | 2017-12-27 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of D-glycero-Beta-D-manno-heptose-1-phosphate adenylyltransferase from Burkholderia pseudomallei. Proteins, 86, 2018
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6NZK
| Structural basis for human coronavirus attachment to sialic acid receptors | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike surface glycoprotein, ... | 著者 | Tortorici, M.A, Walls, A.C, Lang, Y, Wang, C, Li, Z, Koerhuis, D, Boons, G.J, Bosch, B.J, Rey, F.A, de Groot, R, Veesler, D. | 登録日 | 2019-02-13 | 公開日 | 2019-06-05 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Structural basis for human coronavirus attachment to sialic acid receptors. Nat.Struct.Mol.Biol., 26, 2019
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5YND
| Crystal structure of Pullulanase from Klebsiella pneumoniae complex at 1 mM gamma-cyclodextrin | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, DUF3372 domain-containing protein, ... | 著者 | Saka, N, Iwamoto, H, Takahashi, N, Mizutani, K, Mikami, B. | 登録日 | 2017-10-24 | 公開日 | 2018-10-24 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.227 Å) | 主引用文献 | Elucidation of the mechanism of interaction between Klebsiella pneumoniae pullulanase and cyclodextrin Acta Crystallogr D Struct Biol, 74, 2018
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5XG5
| Crystal structure of Mitsuba-1 with bound NAcGal | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MITSUBA-1 | 著者 | Terada, D, Voet, A.R.D, Kamata, K, Zhang, K.Y.J, Tame, J.R.H. | 登録日 | 2017-04-12 | 公開日 | 2017-07-12 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Computational design of a symmetrical beta-trefoil lectin with cancer cell binding activity. Sci Rep, 7, 2017
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5XF2
| Crystal structure of SeMet-HldC from Burkholderia pseudomallei | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Putative cytidylyltransferase | 著者 | Park, J, Kim, H, Kim, S, Lee, D, Shin, D.H. | 登録日 | 2017-04-07 | 公開日 | 2017-07-19 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Expression and crystallographic studies of D-glycero-beta-D-manno-heptose-1-phosphate adenylyltransferase from Burkholderia pseudomallei Acta Crystallogr F Struct Biol Commun, 73, 2017
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