5GHX
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![BU of 5ghx by Molmil](/molmil-images/mine/5ghx) | Crystal structure of beta-lactamase PenP mutant-E166H | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Beta-lactamase | Authors: | Pan, X, Zhao, Y. | Deposit date: | 2016-06-21 | Release date: | 2017-01-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystallographic Snapshots of Class A beta-Lactamase Catalysis Reveal Structural Changes That Facilitate beta-Lactam Hydrolysis J. Biol. Chem., 292, 2017
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4N9K
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![BU of 4n9k by Molmil](/molmil-images/mine/4n9k) | crystal structure of beta-lactamse PenP_E166S in complex with cephaloridine | Descriptor: | 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase | Authors: | Pan, X, Wong, W, Zhao, Y. | Deposit date: | 2013-10-21 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation Biochemistry, 53, 2014
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4N92
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![BU of 4n92 by Molmil](/molmil-images/mine/4n92) | Crystal structure of beta-lactamse PenP_E166S | Descriptor: | Beta-lactamase | Authors: | Pan, X, Wong, W, Zhao, Y. | Deposit date: | 2013-10-19 | Release date: | 2014-09-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation Biochemistry, 53, 2014
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5ZOG
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![BU of 5zog by Molmil](/molmil-images/mine/5zog) | Crystal Structure of R192F hFen1 in complex with DNA | Descriptor: | DNA (5'-D(*CP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*TP*GP*AP*GP*GP*CP*AP*GP*AP*GP*GP*AP*T)-3'), DNA (5'-D(P*TP*CP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*G)-3'), ... | Authors: | Han, W, Hua, Y, Zhao, Y. | Deposit date: | 2018-04-13 | Release date: | 2019-01-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1. Nucleic Acids Res., 46, 2018
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5ZOE
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![BU of 5zoe by Molmil](/molmil-images/mine/5zoe) | Crystal Structure of D181A hFen1 in complex with DNA | Descriptor: | DNA (5'-D(*AP*CP*TP*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*G)-3'), DNA (5'-D(*CP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*CP*GP*TP*CP*C)-3'), ... | Authors: | Han, W, Hua, Y, Zhao, Y. | Deposit date: | 2018-04-13 | Release date: | 2019-01-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1. Nucleic Acids Res., 46, 2018
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6M0K
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![BU of 6m0k by Molmil](/molmil-images/mine/6m0k) | The crystal structure of COVID-19 main protease in complex with an inhibitor 11b | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | Authors: | Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H. | Deposit date: | 2020-02-22 | Release date: | 2020-04-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.504 Å) | Cite: | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease. Science, 368, 2020
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5ZR1
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![BU of 5zr1 by Molmil](/molmil-images/mine/5zr1) | Saccharomyces Cerevisiae Origin Recognition Complex Bound to a 72-bp Origin DNA containing ACS and B1 element | Descriptor: | 72bp-oring DNA, ACS305, A-rich, ... | Authors: | Li, N, Lam, W.H, Zhai, Y, Cheng, J, Cheng, E, Zhao, Y, Gao, N, Tye, B.K. | Deposit date: | 2018-04-21 | Release date: | 2018-07-11 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of the origin recognition complex bound to DNA replication origin. Nature, 559, 2018
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4I5X
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![BU of 4i5x by Molmil](/molmil-images/mine/4i5x) | Crystal Structure Of AKR1B10 Complexed With NADP+ And Flufenamic acid | Descriptor: | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhang, L, Zheng, X, Chen, S, Zhai, J, Zhang, H, Zhao, Y. | Deposit date: | 2012-11-29 | Release date: | 2013-10-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 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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4PR3
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![BU of 4pr3 by Molmil](/molmil-images/mine/4pr3) | Crystal structure of Brucella melitensis 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | Descriptor: | 5'-methylthioadenosine nucleosidase / s-adenosylhomocysteine nucleosidase, ADENINE, GLYCEROL, ... | Authors: | Zhang, X.C, Kang, X.S, Zhao, Y, Jiang, D.H, Li, X.M, Chen, Z.L. | Deposit date: | 2014-03-05 | Release date: | 2014-04-30 | Method: | X-RAY DIFFRACTION (2.606 Å) | Cite: | Crystal structure and biochemical studies of Brucella melitensis 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase Biochem.Biophys.Res.Commun., 446, 2014
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4JIH
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![BU of 4jih by Molmil](/molmil-images/mine/4jih) | Crystal Structure Of AKR1B10 Complexed With NADP+ And Epalrestat | Descriptor: | Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid | Authors: | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC) | Deposit date: | 2013-03-06 | Release date: | 2013-10-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.3 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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4JIR
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![BU of 4jir by Molmil](/molmil-images/mine/4jir) | Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Epalrestat | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | Authors: | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X. | Deposit date: | 2013-03-06 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 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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4KYK
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![BU of 4kyk by Molmil](/molmil-images/mine/4kyk) | Crystal structure of mouse glyoxalase I complexed with indomethacin | Descriptor: | INDOMETHACIN, Lactoylglutathione lyase, ZINC ION | Authors: | Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y. | Deposit date: | 2013-05-29 | Release date: | 2013-08-07 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Zopolrestat as a human glyoxalase I inhibitor and its structural basis. Chemmedchem, 8, 2013
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7JRS
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![BU of 7jrs by Molmil](/molmil-images/mine/7jrs) | |
7JRR
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![BU of 7jrr by Molmil](/molmil-images/mine/7jrr) | Crystal structures of artificially designed homomeric RNA nanoarchitectures | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, RNA (50-MER) | Authors: | Liu, D, Shao, Y, Piccirilli, J.A, Weizmann, Y. | Deposit date: | 2020-08-12 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structures of artificially designed discrete RNA nanoarchitectures at near-atomic resolution. Sci Adv, 7, 2021
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7JRT
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![BU of 7jrt by Molmil](/molmil-images/mine/7jrt) | |
4KYH
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![BU of 4kyh by Molmil](/molmil-images/mine/4kyh) | Crystal structure of mouse glyoxalase I complexed with zopolrestat | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Lactoylglutathione lyase, ZINC ION | Authors: | Zhai, J, Yuan, M, Zhang, L, Chen, Y, Zhang, H, Chen, S, Zhao, Y. | Deposit date: | 2013-05-29 | Release date: | 2013-08-07 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Zopolrestat as a human glyoxalase I inhibitor and its structural basis. Chemmedchem, 8, 2013
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3B6N
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![BU of 3b6n by Molmil](/molmil-images/mine/3b6n) | Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase PV003920 from Plasmodium vivax | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ZINC ION | Authors: | Wernimont, A.K, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-29 | Release date: | 2007-11-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase PV003920 from Plasmodium vivax. To be Published
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4E44
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![BU of 4e44 by Molmil](/molmil-images/mine/4e44) | |
3BE4
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![BU of 3be4 by Molmil](/molmil-images/mine/3be4) | Crystal structure of Cryptosporidium parvum adenylate kinase cgd5_3360 | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, GLYCEROL, ... | Authors: | Wernimont, A.K, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2007-11-16 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of Cryptosporidium parvum adenylate kinase cgd5_3360. To be Published
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3B7P
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![BU of 3b7p by Molmil](/molmil-images/mine/3b7p) | Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermine | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, SPERMINE, Spermidine synthase | Authors: | Qiu, W, Dong, A, Ren, H, Wu, H, Zhao, Y, Schapira, M, Wasney, G, Vedadi, M, Lew, J, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-31 | Release date: | 2007-11-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermine. To be Published
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4E45
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![BU of 4e45 by Molmil](/molmil-images/mine/4e45) | Crystal structure of the hMHF1/hMHF2 Histone-Fold Tetramer in Complex with Fanconi Anemia Associated Helicase hFANCM | Descriptor: | Centromere protein S, Centromere protein X, Fanconi anemia group M protein, ... | Authors: | Fox III, D, Zhao, Y, Yang, W, Weidong, W. | Deposit date: | 2012-03-12 | Release date: | 2013-03-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures Reveal that FANCM remodels the MHF Tetramer in favor of binding Branched DNA To be Published
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4EQ8
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![BU of 4eq8 by Molmil](/molmil-images/mine/4eq8) | Crystal structure of PA1844 from Pseudomonas aeruginosa PAO1 | Descriptor: | GLYCEROL, Putative uncharacterized protein | Authors: | Shang, G, Li, N, Zhang, J, Lu, D, Yu, Q, Zhao, Y, Liu, X, Xu, S, Gu, L. | Deposit date: | 2012-04-18 | Release date: | 2012-09-12 | Last modified: | 2013-07-24 | Method: | X-RAY DIFFRACTION (1.392 Å) | Cite: | Structural insight into how Pseudomonas aeruginosa peptidoglycanhydrolase Tse1 and its immunity protein Tsi1 function. Biochem.J., 448, 2012
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3BKP
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![BU of 3bkp by Molmil](/molmil-images/mine/3bkp) | Crystal structure of the Toxoplasma gondii cyclophilin, 49.m03261 | Descriptor: | Cyclophilin, GLYCEROL | Authors: | Wernimont, A.K, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2007-12-07 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the Toxoplasma gondii cyclophilin, 49.m03261. To be Published
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3BO7
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![BU of 3bo7 by Molmil](/molmil-images/mine/3bo7) | Crystal structure of Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, 541.m00136 | Descriptor: | 1,2-ETHANEDIOL, CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE CYCLOPHILIN-TYPE, ... | Authors: | Wernimont, A.K, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC) | Deposit date: | 2007-12-17 | Release date: | 2008-02-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal Structure of Toxoplasma Gondii Peptidyl-Prolyl Cis-Trans Isomerase, 541.M00136. To be Published
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3CC9
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![BU of 3cc9 by Molmil](/molmil-images/mine/3cc9) | Crystal structure of Plasmodium vivax putative polyprenyl pyrophosphate synthase in complex with geranylgeranyl diphosphate | Descriptor: | GERANYLGERANYL DIPHOSPHATE, Putative farnesyl pyrophosphate synthase, SODIUM ION | Authors: | Wernimont, A.K, Dunford, J, Lew, J, Zhao, Y, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC) | Deposit date: | 2008-02-25 | Release date: | 2008-03-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of Plasmodium vivax putative polyprenyl pyrophosphate synthase in complex with geranylgeranyl diphosphate. To be Published
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