4BKQ
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![BU of 4bkq by Molmil](/molmil-images/mine/4bkq) | Enoyl-ACP reductase from Yersinia pestis (wildtype)with cofactor NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PUTATIVE REDUCTASE YPZ3_3519 | Authors: | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | Deposit date: | 2013-04-29 | Release date: | 2014-05-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase. Biochemistry, 55, 2016
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4BKO
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![BU of 4bko by Molmil](/molmil-images/mine/4bko) | Enoyl-ACP reducatase FabV from Burkholderia pseudomallei (apo) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, PUTATIVE REDUCTASE BURPS305_1051, ... | Authors: | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | Deposit date: | 2013-04-29 | Release date: | 2014-05-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Point Mutation Changes Substrate Binding Mechanism and Inhibitor Specificity of Yersinia Pestis Enoyl- Acp Reductase Fabv To be Published
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4BKR
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![BU of 4bkr by Molmil](/molmil-images/mine/4bkr) | Enoyl-ACP reductase from Yersinia pestis (wildtype, removed Histag) with cofactor NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | Deposit date: | 2013-04-29 | Release date: | 2014-05-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase. Biochemistry, 55, 2016
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3ZU2
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![BU of 3zu2 by Molmil](/molmil-images/mine/3zu2) | Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH (SIRAS) | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011, SODIUM ION | Authors: | Hirschbeck, M.W, Kuper, J, Kisker, C. | Deposit date: | 2011-07-13 | Release date: | 2012-01-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the Yersinia Pestis Fabv Enoyl-Acp Reductase and its Interaction with Two 2-Pyridone Inhibitors Structure, 20, 2012
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3ZU4
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![BU of 3zu4 by Molmil](/molmil-images/mine/3zu4) | Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH and the 2-pyridone inhibitor PT172 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-(2-CHLOROBENZYL)-4-HEXYLPYRIDIN-2(1H)-ONE, PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011, ... | Authors: | Hirschbeck, M.W, Kuper, J, Tonge, P.J, Kisker, C. | Deposit date: | 2011-07-13 | Release date: | 2012-01-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure of the Yersinia Pestis Fabv Enoyl-Acp Reductase and its Interaction with Two 2-Pyridone Inhibitors Structure, 20, 2012
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6J7J
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![BU of 6j7j by Molmil](/molmil-images/mine/6j7j) | Crystal structure of Pseudomonas aeruginosa Earp | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Pseudomonas aeruginosa Earp | Authors: | He, C, Li, F. | Deposit date: | 2019-01-18 | Release date: | 2019-05-15 | Last modified: | 2019-06-26 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Complex Structure ofPseudomonas aeruginosaArginine Rhamnosyltransferase EarP with Its Acceptor Elongation Factor P. J.Bacteriol., 201, 2019
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6J7K
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![BU of 6j7k by Molmil](/molmil-images/mine/6j7k) | Crystal structure of Pseudomonas aeruginosa Earp in complex with TDP-Rha | Descriptor: | 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Pseudomonas aeruginosa Earp | Authors: | He, C, Li, F. | Deposit date: | 2019-01-18 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Complex Structure ofPseudomonas aeruginosaArginine Rhamnosyltransferase EarP with Its Acceptor Elongation Factor P. J.Bacteriol., 201, 2019
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6J7L
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![BU of 6j7l by Molmil](/molmil-images/mine/6j7l) | Crystal structure of Pseudomonas aeruginosa Earp in complex with TDP | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Pseudomonas aeruginosa Earp, THYMIDINE-5'-DIPHOSPHATE | Authors: | He, C, Li, F. | Deposit date: | 2019-01-18 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Complex Structure ofPseudomonas aeruginosaArginine Rhamnosyltransferase EarP with Its Acceptor Elongation Factor P. J.Bacteriol., 201, 2019
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6J2W
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![BU of 6j2w by Molmil](/molmil-images/mine/6j2w) | The structure of OBA3-OTA complex | Descriptor: | DNA (5'-D(*CP*GP*GP*GP*GP*CP*GP*AP*AP*GP*CP*GP*GP*GP*TP*CP*CP*CP*G)-3'), N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine | Authors: | Xu, G.H, Li, C.G. | Deposit date: | 2019-01-03 | Release date: | 2019-02-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure-guided post-SELEX optimization of an ochratoxin A aptamer. Nucleic Acids Res., 47, 2019
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6J7M
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![BU of 6j7m by Molmil](/molmil-images/mine/6j7m) | |
6J2P
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![BU of 6j2p by Molmil](/molmil-images/mine/6j2p) | |
7F6V
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![BU of 7f6v by Molmil](/molmil-images/mine/7f6v) | Cryo-EM structure of the human TACAN channel in a closed state | Descriptor: | CHOLESTEROL, Ion channel TACAN | Authors: | Chen, X.Z, Wang, Y.J, Li, Y, Yang, X, Shen, Y.Q. | Deposit date: | 2021-06-25 | Release date: | 2022-02-16 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Cryo-EM structure of the human TACAN in a closed state. Cell Rep, 38, 2022
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3HHK
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![BU of 3hhk by Molmil](/molmil-images/mine/3hhk) | HCV NS5b polymerase complex with a substituted benzothiadizine | Descriptor: | 2-({(3R)-3-[(3S)-1-(3-methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydroquinolin-3-yl]-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide, HCV NS5 polymerase | Authors: | Concha, N.O, Singh, O. | Deposit date: | 2009-05-15 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Substituted benzothiadizine inhibitors of Hepatitis C virus polymerase. Bioorg.Med.Chem.Lett., 19, 2009
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5F95
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![BU of 5f95 by Molmil](/molmil-images/mine/5f95) | Crystal structure of GSK3b in complex with Compound 18: 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide | Descriptor: | 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta | Authors: | Lewis, H.A, Kish, K, Luo, G, Dubowchick, G.M. | Deposit date: | 2015-12-09 | Release date: | 2016-02-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.525 Å) | Cite: | Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors. J.Med.Chem., 59, 2016
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5G2O
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![BU of 5g2o by Molmil](/molmil-images/mine/5g2o) | Yersinia pestis FabV variant T276A | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | Authors: | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | Deposit date: | 2016-04-11 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase. Biochemistry, 55, 2016
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5F94
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![BU of 5f94 by Molmil](/molmil-images/mine/5f94) | Crystal structure of GSK3b in complex with Compound 15: 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide | Descriptor: | 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta | Authors: | Lewis, H.A, Kish, K, Luo, G, Dubowchick, G.M. | Deposit date: | 2015-12-09 | Release date: | 2016-02-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors. J.Med.Chem., 59, 2016
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7XPR
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![BU of 7xpr by Molmil](/molmil-images/mine/7xpr) | Crystal structrue of SeMet-MtdL:GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Transglycosylse | Authors: | Li, F.D, He, C. | Deposit date: | 2022-05-05 | Release date: | 2023-03-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding. J.Biol.Chem., 299, 2023
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7XPV
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![BU of 7xpv by Molmil](/molmil-images/mine/7xpv) | crysteal structure of MtdL-S228A-His soaked with GDP-Fucf and Mn | Descriptor: | MANGANESE (II) ION, Transglycosylse, [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[(1~{S})-1-oxidanylethyl]oxolan-2-yl] hydrogen phosphate | Authors: | Li, F.D, He, C. | Deposit date: | 2022-05-05 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding. J.Biol.Chem., 299, 2023
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7XPS
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![BU of 7xps by Molmil](/molmil-images/mine/7xps) | Crystal structrue of MtdL:GDP:Mn | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, Transglycosylse | Authors: | Li, F.D, He, C. | Deposit date: | 2022-05-05 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding. J.Biol.Chem., 299, 2023
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7XPT
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![BU of 7xpt by Molmil](/molmil-images/mine/7xpt) | Crystal structrue of MtdL:GDP:Mn soaked with GDP-Glc | Descriptor: | GDP-ALPHA-D-GLUCOSE, MANGANESE (II) ION, Transglycosylse | Authors: | Li, F.D, He, C. | Deposit date: | 2022-05-05 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding. J.Biol.Chem., 299, 2023
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7XPU
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![BU of 7xpu by Molmil](/molmil-images/mine/7xpu) | crystal structure of MtdL-S228A-His soaked GDP-Fucp and Mn | Descriptor: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, MANGANESE (II) ION, ... | Authors: | Li, F.D, He, C. | Deposit date: | 2022-05-05 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding. J.Biol.Chem., 299, 2023
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7WH8
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![BU of 7wh8 by Molmil](/molmil-images/mine/7wh8) | |
7WHB
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![BU of 7whb by Molmil](/molmil-images/mine/7whb) | SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (3U) | Descriptor: | 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, ... | Authors: | Zeng, J.W, Ge, J.W, Wang, X.Q. | Deposit date: | 2021-12-30 | Release date: | 2023-01-18 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (2.67 Å) | Cite: | SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 . Emerg Microbes Infect, 12, 2023
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7WHD
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![BU of 7whd by Molmil](/molmil-images/mine/7whd) | SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (2u1d) | Descriptor: | 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, ... | Authors: | Zeng, J.W, Wang, X.W, Ge, J.W, Wang, Z.Y. | Deposit date: | 2021-12-30 | Release date: | 2023-01-18 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 . Emerg Microbes Infect, 12, 2023
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7EBK
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![BU of 7ebk by Molmil](/molmil-images/mine/7ebk) | |