5C1Y
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![BU of 5c1y by Molmil](/molmil-images/mine/5c1y) | Crystal structure of EV71 3C Proteinase in complex with Compound 1 | Descriptor: | 3C proteinase, propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate | Authors: | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | Deposit date: | 2015-06-15 | Release date: | 2016-06-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71 J.Mol.Recognit., 29, 2016
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5C20
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![BU of 5c20 by Molmil](/molmil-images/mine/5c20) | Crystal structure of EV71 3C Proteinase in complex with Compound 2 | Descriptor: | 2-methylpropyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase | Authors: | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | Deposit date: | 2015-06-15 | Release date: | 2016-06-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71 J.Mol.Recognit., 29, 2016
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4GQG
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![BU of 4gqg by Molmil](/molmil-images/mine/4gqg) | Crystal structure of AKR1B10 complexed with NADP+ | Descriptor: | Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhang, L, Zheng, X, Chen, S, Zhai, J, Hu, X. | Deposit date: | 2012-08-23 | Release date: | 2013-08-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111) Febs Lett., 587, 2013
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4J0X
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![BU of 4j0x by Molmil](/molmil-images/mine/4j0x) | Structure of Rrp9 | Descriptor: | Ribosomal RNA-processing protein 9 | Authors: | Zhang, L, Lin, J, Ye, K. | Deposit date: | 2013-01-31 | Release date: | 2013-06-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Structural and functional analysis of the U3 snoRNA binding protein Rrp9. Rna, 19, 2013
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4J0W
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![BU of 4j0w by Molmil](/molmil-images/mine/4j0w) | Structure of U3-55K | Descriptor: | U3 small nucleolar RNA-interacting protein 2 | Authors: | Zhang, L, Lin, J, Ye, K. | Deposit date: | 2013-01-31 | Release date: | 2013-06-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and functional analysis of the U3 snoRNA binding protein Rrp9. Rna, 19, 2013
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8B7S
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![BU of 8b7s by Molmil](/molmil-images/mine/8b7s) | Crystal structure of the Chloramphenicol-inactivating oxidoreductase from Novosphingobium sp | Descriptor: | Chloramphenicol-inactivating oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Zhang, L, Toplak, M, Saleem-Batcha, R, Hoeing, L, Jakob, R.P, Jehmlich, N, von Bergen, M, Maier, T, Teufel, R. | Deposit date: | 2022-10-03 | Release date: | 2022-11-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Bacterial Dehydrogenases Facilitate Oxidative Inactivation and Bioremediation of Chloramphenicol. Chembiochem, 24, 2023
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4JEK
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![BU of 4jek by Molmil](/molmil-images/mine/4jek) | Structure of dibenzothiophene monooxygenase (DszC) from Rhodococcus erythropolis | Descriptor: | Dibenzothiophene desulfurization enzyme C | Authors: | Zhang, L, Duan, X.L, Zhou, D.M, Li, X. | Deposit date: | 2013-02-27 | Release date: | 2013-09-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystallization and preliminary structural analysis of dibenzothiophene monooxygenase (DszC) from Rhodococcus erythropolis Acta Crystallogr.,Sect.F, 69, 2013
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5ZBA
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![BU of 5zba by Molmil](/molmil-images/mine/5zba) | Crystal structure of Rtt109-Asf1-H3-H4-CoA complex | Descriptor: | COENZYME A, DNA damage response protein Rtt109, putative, ... | Authors: | Zhang, L, Serra-Cardona, A, Zhou, H, Wang, M, Yang, N, Zhang, Z, Xu, R.M. | Deposit date: | 2018-02-10 | Release date: | 2018-07-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Multisite Substrate Recognition in Asf1-Dependent Acetylation of Histone H3 K56 by Rtt109. Cell, 174, 2018
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5ZBB
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![BU of 5zbb by Molmil](/molmil-images/mine/5zbb) | Crystal structure of Rtt109-Asf1-H3-H4 complex | Descriptor: | DI(HYDROXYETHYL)ETHER, DNA damage response protein Rtt109, putative, ... | Authors: | Zhang, L, Serra-Cardona, A, Zhou, H, Wang, M, Yang, N, Zhang, Z, Xu, R.M. | Deposit date: | 2018-02-10 | Release date: | 2018-07-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Multisite Substrate Recognition in Asf1-Dependent Acetylation of Histone H3 K56 by Rtt109. Cell, 174, 2018
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5ZB9
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![BU of 5zb9 by Molmil](/molmil-images/mine/5zb9) | Crystal structure of Rtt109 from Aspergillus fumigatus | Descriptor: | DNA damage response protein Rtt109, putative, GLYCEROL | Authors: | Zhang, L, Serra-Cardona, A, Zhou, H, Wang, M, Yang, N, Zhang, Z, Xu, R.M. | Deposit date: | 2018-02-10 | Release date: | 2018-07-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Multisite Substrate Recognition in Asf1-Dependent Acetylation of Histone H3 K56 by Rtt109. Cell, 174, 2018
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3R22
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![BU of 3r22 by Molmil](/molmil-images/mine/3r22) | Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I) | Descriptor: | N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6 | Authors: | Zhang, L, Fan, J, Chong, J.-H, Cesana, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K. | Deposit date: | 2011-03-11 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I). Bioorg.Med.Chem.Lett., 21, 2011
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3R21
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![BU of 3r21 by Molmil](/molmil-images/mine/3r21) | Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I) | Descriptor: | MAGNESIUM ION, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6 | Authors: | Zhang, L, Fan, J, Chong, J.-H, Cesena, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K. | Deposit date: | 2011-03-11 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I). Bioorg.Med.Chem.Lett., 21, 2011
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6KXR
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![BU of 6kxr by Molmil](/molmil-images/mine/6kxr) | Crystal structure of wild type Alp1U from the biosynthesis of kinamycins | Descriptor: | D-MALATE, Putative hydrolase | Authors: | Zhang, L, Yingli, Z, De, B.C, Zhang, C. | Deposit date: | 2019-09-12 | Release date: | 2020-09-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.45073676 Å) | Cite: | Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U. J.Biol.Chem., 295, 2020
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6KXH
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![BU of 6kxh by Molmil](/molmil-images/mine/6kxh) | Alp1U_Y247F mutant in complex with Fluostatin C | Descriptor: | D-MALATE, Fluostatin C, Putative hydrolase, ... | Authors: | Zhang, L, Yingli, Z, De, B.C, Zhang, C. | Deposit date: | 2019-09-11 | Release date: | 2020-09-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.78039551 Å) | Cite: | Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U. J.Biol.Chem., 295, 2020
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6KXW
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![BU of 6kxw by Molmil](/molmil-images/mine/6kxw) | Crystal structure of human aquaporin AQP7 in bound to glycerol | Descriptor: | Aquaporin-7, GLYCEROL | Authors: | Zhang, L, Yao, D, Zhou, F, Zhang, Q, Zhou, L, Cao, Y. | Deposit date: | 2019-09-13 | Release date: | 2019-11-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | The structural basis for glycerol permeation by human AQP7 Sci Bull (Beijing), 66, 2020
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3QAU
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![BU of 3qau by Molmil](/molmil-images/mine/3qau) | 3-Hydroxy-3-MethylGlutaryl-Coenzyme A Reductase from Streptococcus pneumoniae | Descriptor: | 3-hydroxy-3-methylglutaryl-coenzyme a reductase, GLYCEROL, SODIUM ION, ... | Authors: | Zhang, L, Feng, L, Zhou, L, Gui, J, Wan, J. | Deposit date: | 2011-01-11 | Release date: | 2011-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 3-Hydroxy-3-MethylGlutaryl-Coenzyme A Reductase from Streptococcus pneumoniae To be Published
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3QAE
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![BU of 3qae by Molmil](/molmil-images/mine/3qae) | 3-hydroxy-3-methylglutaryl-coenzyme A reductase of Streptococcus pneumoniae | Descriptor: | 3-hydroxy-3-methylglutaryl-coenzyme a reductase, CITRIC ACID, GLYCEROL, ... | Authors: | Zhang, L, Feng, L, Zhou, L, Gui, J, Wan, J. | Deposit date: | 2011-01-10 | Release date: | 2011-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 3-hydroxy-3-methylglutaryl-coenzyme A reductase of Streptococcus pneumoniae To be Published
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7QUW
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![BU of 7quw by Molmil](/molmil-images/mine/7quw) | CVB3-3Cpro in complex with inhibitor MG-78 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, Protease 3C | Authors: | Zhang, L, Hilgenfeld, R. | Deposit date: | 2022-01-19 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease. Molecules, 27, 2022
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8B35
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![BU of 8b35 by Molmil](/molmil-images/mine/8b35) | |
8B32
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![BU of 8b32 by Molmil](/molmil-images/mine/8b32) | |
8B3C
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![BU of 8b3c by Molmil](/molmil-images/mine/8b3c) | Chalcone synthase from Hordeum vulgare complexed with CoA and eriodictyol | Descriptor: | (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, COENZYME A, Chalcone synthase 2 | Authors: | Zhang, L, Groves, M.R. | Deposit date: | 2022-09-16 | Release date: | 2023-09-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids. J.Agric.Food Chem., 72, 2024
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8AHX
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![BU of 8ahx by Molmil](/molmil-images/mine/8ahx) | |
8C9T
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![BU of 8c9t by Molmil](/molmil-images/mine/8c9t) | Catechol O-methyltransferase from Streptomyces avermitilis | Descriptor: | GLYCEROL, Putative O-methyltransferase | Authors: | Zhang, L, Groves, M.R. | Deposit date: | 2023-01-23 | Release date: | 2023-04-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Characterization and Extended Substrate Scope Analysis of Two Mg 2+ -Dependent O-Methyltransferases from Bacteria. Chembiochem, 24, 2023
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8C9V
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![BU of 8c9v by Molmil](/molmil-images/mine/8c9v) | O-methyltransferase from Desulfuromonas acetoxidans | Descriptor: | MAGNESIUM ION, O-methyltransferase, family 3 | Authors: | Zhang, L, Groves, M.R. | Deposit date: | 2023-01-23 | Release date: | 2023-04-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Characterization and Extended Substrate Scope Analysis of Two Mg 2+ -Dependent O-Methyltransferases from Bacteria. Chembiochem, 24, 2023
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8C9S
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![BU of 8c9s by Molmil](/molmil-images/mine/8c9s) | |