4X2Y
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![BU of 4x2y by Molmil](/molmil-images/mine/4x2y) | Crystal structure of a chimeric Murine Norovirus NS6 protease (inactive C139A mutant) in which the P4-P4 prime residues of the cleavage junction in the extended C-terminus have been replaced by the corresponding residues from the NS2-3 junction. | Descriptor: | NS6 Protease,NS6 Protease | Authors: | Leen, E.N, Pfeil, M.-P, Fernandes, H, Curry, S. | Deposit date: | 2014-11-27 | Release date: | 2015-02-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.417 Å) | Cite: | Structure determination of Murine Norovirus NS6 proteases with C-terminal extensions designed to probe protease-substrate interactions. Peerj, 3, 2015
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5CNQ
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![BU of 5cnq by Molmil](/molmil-images/mine/5cnq) | Crystal structure of the Holliday junction-resolving enzyme GEN1 (WT) in complex with product DNA, Mg2+ and Mn2+ ions | Descriptor: | DNA (5'-D(*TP*GP*AP*GP*CP*GP*GP*TP*GP*GP*TP*TP*GP*GP*T)-3'), MANGANESE (II) ION, Nuclease-like protein, ... | Authors: | Liu, Y.J, Freeman, A.D.J, Declais, A.C, Wilson, T.J, Gartner, A, Lilley, D.M.J. | Deposit date: | 2015-07-17 | Release date: | 2015-12-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | Crystal Structure of a Eukaryotic GEN1 Resolving Enzyme Bound to DNA. Cell Rep, 13, 2015
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5CO8
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![BU of 5co8 by Molmil](/molmil-images/mine/5co8) | Crystal structure of the Holliday junction-resolving enzyme GEN1 (WT) in complex with product DNA and Mg2+ ion | Descriptor: | DNA (31-MER), DNA (5'-D(*AP*GP*AP*CP*TP*GP*CP*AP*GP*TP*TP*GP*AP*GP*TP*C)-3'), DNA (5'-D(*TP*GP*AP*GP*CP*GP*GP*TP*GP*GP*TP*TP*GP*GP*A)-3'), ... | Authors: | Liu, Y.J, Freeman, A.D.J, Declais, A.C, Wilson, T.J, Gartner, A, Lilley, D.M.J. | Deposit date: | 2015-07-20 | Release date: | 2016-01-13 | Last modified: | 2018-11-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of a Eukaryotic GEN1 Resolving Enzyme Bound to DNA. Cell Rep, 13, 2015
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1LNH
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![BU of 1lnh by Molmil](/molmil-images/mine/1lnh) | |
7Q1C
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![BU of 7q1c by Molmil](/molmil-images/mine/7q1c) | Crystal structure of Trypanosoma cruzi histone deacetylase DAC2 complexed with a hydroxamate inhibitor | Descriptor: | (E)-3-dibenzofuran-4-yl-N-oxidanyl-prop-2-enamide, Histone deacetylase DAC2, POTASSIUM ION, ... | Authors: | Ramos-Morales, E, Marek, M, Romier, C. | Deposit date: | 2021-10-18 | Release date: | 2021-12-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Species-selective targeting of pathogens revealed by the atypical structure and active site of Trypanosoma cruzi histone deacetylase DAC2. Cell Rep, 37, 2021
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5HWW
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![BU of 5hww by Molmil](/molmil-images/mine/5hww) | Crystal structure of PAS1 complexed with 1,2,4-TMB | Descriptor: | 1,2,4-trimethylbenzene, Sensor histidine kinase TodS | Authors: | Hwang, J, Koh, S. | Deposit date: | 2016-01-29 | Release date: | 2016-03-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular Insights into Toluene Sensing in the TodS/TodT Signal Transduction System. J. Biol. Chem., 291, 2016
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5HMX
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![BU of 5hmx by Molmil](/molmil-images/mine/5hmx) | Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 10 | Descriptor: | 2,2'-(5-(thiophen-2-yl)-1,3-phenylene)diacetic acid, RNA-directed RNA polymerase NS5, ZINC ION | Authors: | Noble, C.G. | Deposit date: | 2016-01-17 | Release date: | 2016-03-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design J.Med.Chem., 59, 2016
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5HMZ
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![BU of 5hmz by Molmil](/molmil-images/mine/5hmz) | Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 23 | Descriptor: | 5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-N-(methylsulfonyl)benzamide, RNA-directed RNA polymerase NS5, ZINC ION | Authors: | Noble, C.G. | Deposit date: | 2016-01-17 | Release date: | 2016-03-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design J.Med.Chem., 59, 2016
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5HMY
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![BU of 5hmy by Molmil](/molmil-images/mine/5hmy) | Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 15 | Descriptor: | 2,2'-(5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-1,3-phenylene)diacetic acid, RNA-directed RNA polymerase NS5, ZINC ION | Authors: | Noble, C.G. | Deposit date: | 2016-01-17 | Release date: | 2016-03-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design. J.Med.Chem., 59, 2016
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5HZY
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![BU of 5hzy by Molmil](/molmil-images/mine/5hzy) | Crystal structure of the legionella pneumophila effector protein RavZ - P6322 | Descriptor: | Uncharacterized protein RavZ | Authors: | Kwon, D.H, Kim, L, Kim, B.-W, Hong, S.B, Song, H.K. | Deposit date: | 2016-02-03 | Release date: | 2016-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.548 Å) | Cite: | The 1:2 complex between RavZ and LC3 reveals a mechanism for deconjugation of LC3 on the phagophore membrane Autophagy, 13, 2017
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5HMW
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![BU of 5hmw by Molmil](/molmil-images/mine/5hmw) | Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 5 | Descriptor: | 2,2'-biphenyl-3,5-diyldiacetic acid, RNA-directed RNA polymerase NS5, ZINC ION | Authors: | Noble, C.G. | Deposit date: | 2016-01-17 | Release date: | 2016-03-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design J.Med.Chem., 59, 2016
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5HWV
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![BU of 5hwv by Molmil](/molmil-images/mine/5hwv) | Crystal structure of PAS1 complexed with toluene | Descriptor: | Sensor histidine kinase TodS, TOLUENE | Authors: | Hwang, J, Koh, S. | Deposit date: | 2016-01-29 | Release date: | 2016-03-02 | Last modified: | 2017-12-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Molecular Insights into Toluene Sensing in the TodS/TodT Signal Transduction System. J. Biol. Chem., 291, 2016
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3CZK
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![BU of 3czk by Molmil](/molmil-images/mine/3czk) | Crystal Structure Analysis of Sucrose hydrolase(SUH) E322Q-sucrose complex | Descriptor: | Sucrose hydrolase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Kim, M.I, Rhee, S. | Deposit date: | 2008-04-29 | Release date: | 2008-07-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures and mutagenesis of sucrose hydrolase from Xanthomonas axonopodis pv. glycines: insight into the exclusively hydrolytic amylosucrase fold. J.Mol.Biol., 380, 2008
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5I3P
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![BU of 5i3p by Molmil](/molmil-images/mine/5i3p) | DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 27 | Descriptor: | 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, Genome polyprotein, ZINC ION | Authors: | Noble, C.G. | Deposit date: | 2016-02-10 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling Plos Pathog., 12, 2016
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5I76
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![BU of 5i76 by Molmil](/molmil-images/mine/5i76) | Crystal structure of FM318, a recombinant Fab adopted from cetuximab | Descriptor: | FM318_heavy_cahin, FM318_light_chain | Authors: | Sim, D.W, Kim, J.H, Seok, S.H, Seo, M.D, Kim, Y.P, Won, H.S. | Deposit date: | 2016-02-16 | Release date: | 2016-12-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.922 Å) | Cite: | Bacterial production and structure-functional validation of a recombinant antigen-binding fragment (Fab) of an anti-cancer therapeutic antibody targeting epidermal growth factor receptor. Appl.Microbiol.Biotechnol., 100, 2016
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7CZO
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![BU of 7czo by Molmil](/molmil-images/mine/7czo) | N-terminal domain of HipA toxin | Descriptor: | CHLORIDE ION, Uncharacterized protein HI_0666 | Authors: | Kang, S.M. | Deposit date: | 2020-09-09 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Haemophilus influenzae HipBA toxin-antitoxin system adopts an unusual three-com-ponent regulatory mechanism Iucrj, 9, 2022
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6RG0
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![BU of 6rg0 by Molmil](/molmil-images/mine/6rg0) | Structure of pdxj | Descriptor: | Pyridoxine 5'-phosphate synthase | Authors: | Rohweder, B, Rajendran, C, Sterner, R. | Deposit date: | 2019-04-16 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.074 Å) | Cite: | Library Selection with a Randomized Repertoire of ( beta alpha )8-Barrel Enzymes Results in Unexpected Induction of Gene Expression. Biochemistry, 58, 2019
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7D6L
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![BU of 7d6l by Molmil](/molmil-images/mine/7d6l) | |
5IIG
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![BU of 5iig by Molmil](/molmil-images/mine/5iig) | |
5I3Q
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![BU of 5i3q by Molmil](/molmil-images/mine/5i3q) | DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 29 | Descriptor: | 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-[(quinolin-8-yl)sulfonyl]benzamide, Genome polyprotein, ZINC ION | Authors: | Noble, C.G. | Deposit date: | 2016-02-10 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling Plos Pathog., 12, 2016
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5UQH
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![BU of 5uqh by Molmil](/molmil-images/mine/5uqh) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor p182 | Descriptor: | 1,2-ETHANEDIOL, INOSINIC ACID, ISOPROPYL ALCOHOL, ... | Authors: | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-08 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the presence of TBK6 To Be Published
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6WBN
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![BU of 6wbn by Molmil](/molmil-images/mine/6wbn) | Cryo-EM structure of human Pannexin 1 channel N255A mutant, gap junction | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL, DIACYL GLYCEROL, ... | Authors: | Lu, W, Du, J, Ruan, Z. | Deposit date: | 2020-03-26 | Release date: | 2020-06-03 | Last modified: | 2021-06-30 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Structures of human pannexin 1 reveal ion pathways and mechanism of gating. Nature, 584, 2020
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7Q1B
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![BU of 7q1b by Molmil](/molmil-images/mine/7q1b) | Crystal structure of Trypanosoma cruzi histone deacetylase DAC2 complexed with Quisinostat | Descriptor: | 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide, GLYCEROL, Histone deacetylase DAC2, ... | Authors: | Marek, M, Ramos-Morales, E, Romier, C. | Deposit date: | 2021-10-18 | Release date: | 2021-12-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Species-selective targeting of pathogens revealed by the atypical structure and active site of Trypanosoma cruzi histone deacetylase DAC2. Cell Rep, 37, 2021
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6DUM
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![BU of 6dum by Molmil](/molmil-images/mine/6dum) | ALDH1A1 N121S in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, ... | Authors: | Buchman, C.D, Hurley, T.D. | Deposit date: | 2018-06-21 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Optimization of a Novel Class of Aldehyde Dehydrogenase 1A (ALDH1A) Subfamily-Selective Inhibitors as Potential Adjuncts to Ovarian Cancer Chemotherapy. J.Med.Chem., 61, 2018
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1NES
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![BU of 1nes by Molmil](/molmil-images/mine/1nes) | STRUCTURE OF THE PRODUCT COMPLEX OF ACETYL-ALA-PRO-ALA WITH PORCINE PANCREATIC ELASTASE AT 1.65 ANGSTROMS RESOLUTION | Descriptor: | ACETYL-ALA-PRO-ALA, CALCIUM ION, ELASTASE, ... | Authors: | Meyer Junior, E.F, Radhakrishnan, R, M Cole, G, Presta, L.G. | Deposit date: | 1995-07-31 | Release date: | 1996-01-29 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure of the product complex of acetyl-Ala-Pro-Ala with porcine pancreatic elastase at 1.65 A resolution. J.Mol.Biol., 189, 1986
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