8WNI
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![BU of 8wni by Molmil](/molmil-images/mine/8wni) | Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Val | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ... | Authors: | Guo, Y, Li, S, Zhang, T. | Deposit date: | 2023-10-06 | Release date: | 2024-02-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase. Febs Lett., 598, 2024
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8WO2
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![BU of 8wo2 by Molmil](/molmil-images/mine/8wo2) | Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Val-AMP | Descriptor: | ACETATE ION, GLYCEROL, Isoleucine--tRNA ligase, ... | Authors: | Guo, Y, Li, S, Zhang, T. | Deposit date: | 2023-10-06 | Release date: | 2024-02-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase. Febs Lett., 598, 2024
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8WNJ
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![BU of 8wnj by Molmil](/molmil-images/mine/8wnj) | Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Ile-AMP | Descriptor: | ACETATE ION, GLYCEROL, Isoleucine--tRNA ligase, ... | Authors: | Guo, Y, Li, S, Zhang, T. | Deposit date: | 2023-10-06 | Release date: | 2024-02-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase. Febs Lett., 598, 2024
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8UPS
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![BU of 8ups by Molmil](/molmil-images/mine/8ups) | Structure of SARS-Cov2 3CLPro in complex with Compound 5 | 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, 3C-like proteinase nsp5, PHOSPHATE ION | Authors: | Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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8UPW
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![BU of 8upw by Molmil](/molmil-images/mine/8upw) | Structure of SARS-Cov2 3CLPro in complex with Compound 34 | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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8UTE
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![BU of 8ute by Molmil](/molmil-images/mine/8ute) | Structure of SARS-Cov2 3CLPro in complex with Compound 27 | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-31 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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5Z7G
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![BU of 5z7g by Molmil](/molmil-images/mine/5z7g) | Crystal structure of TAX1BP1 SKICH region in complex with NAP1 | Descriptor: | 5-azacytidine-induced protein 2, GLYCEROL, Tax1-binding protein 1 | Authors: | Pan, L.F, Fu, T, Liu, J.P, Xie, X.Q, Wang, Y.L, Hu, S.C. | Deposit date: | 2018-01-28 | Release date: | 2019-01-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Mechanistic insights into the interactions of NAP1 with the SKICH domains of NDP52 and TAX1BP1 Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5XEY
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![BU of 5xey by Molmil](/molmil-images/mine/5xey) | Discovery and structural analysis of a phloretin hydrolase from the opportunistic pathogen Mycobacterium abscessus | Descriptor: | 1-[2,4,6-tris(oxidanyl)phenyl]ethanone, phloretin hydrolase | Authors: | He, Y.X, Han, J.T, Jia, W.J, Zhang, Z. | Deposit date: | 2017-04-06 | Release date: | 2018-05-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery and structural analysis of a phloretin hydrolase from the opportunistic human pathogen Mycobacterium abscessus. FEBS J., 2019
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7E0M
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![BU of 7e0m by Molmil](/molmil-images/mine/7e0m) | Crystal structure of phospholipase D | Descriptor: | Phospholipase, SULFATE ION | Authors: | Wang, F.H. | Deposit date: | 2021-01-28 | Release date: | 2021-12-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal Structure of a Phospholipase D from the Plant-Associated Bacteria Serratia plymuthica Strain AS9 Reveals a Unique Arrangement of Catalytic Pocket. Int J Mol Sci, 22, 2021
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5XHZ
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![BU of 5xhz by Molmil](/molmil-images/mine/5xhz) | Crystal Structure Analysis of CIN85-SH3B in complex with ARAP1-P2 | Descriptor: | ACETATE ION, Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 1, ... | Authors: | Liu, W, Yang, W. | Deposit date: | 2017-04-25 | Release date: | 2018-04-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.319 Å) | Cite: | Biochemical and Structural Studies of the Interaction between ARAP1 and CIN85. Biochemistry, 57, 2018
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5TWL
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![BU of 5twl by Molmil](/molmil-images/mine/5twl) | Structure of Maternal Embryonic Leucine Zipper Kinase | Descriptor: | 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1H)-one, Maternal embryonic leucine zipper kinase | Authors: | Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S. | Deposit date: | 2016-11-14 | Release date: | 2017-11-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells. Elife, 6, 2017
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5TWZ
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![BU of 5twz by Molmil](/molmil-images/mine/5twz) | Structure of Maternal Embryonic Leucine Zipper Kinase | Descriptor: | 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, Maternal embryonic leucine zipper kinase | Authors: | Seo, H.-Y, Dhe-Paganon, S. | Deposit date: | 2016-11-15 | Release date: | 2017-11-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.631 Å) | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells. Elife, 6, 2017
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6LOM
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![BU of 6lom by Molmil](/molmil-images/mine/6lom) | |
5XOO
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![BU of 5xoo by Molmil](/molmil-images/mine/5xoo) | The structure of hydra Fam20 with sugar | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE, Glycosaminoglycan xylosylkinase, ... | Authors: | Zhang, H, Xiao, J. | Deposit date: | 2017-05-29 | Release date: | 2018-04-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure and evolution of the Fam20 kinases Nat Commun, 9, 2018
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5XE5
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![BU of 5xe5 by Molmil](/molmil-images/mine/5xe5) | Discovery and structural analysis of a phloretin hydrolase from the opportunistic pathogen Mycobacterium abscessus | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, phloretin hydrolase | Authors: | He, Y.X, Han, J.T, Jia, W.J, Zhang, Z. | Deposit date: | 2017-04-01 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Discovery and structural analysis of a phloretin hydrolase from the opportunistic human pathogen Mycobacterium abscessus. FEBS J., 2019
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2LK3
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![BU of 2lk3 by Molmil](/molmil-images/mine/2lk3) | U2/U6 Helix I | Descriptor: | RNA (5'-R(*GP*GP*CP*UP*UP*AP*GP*AP*UP*CP*AP*GP*AP*AP*AP*UP*GP*AP*UP*CP*AP*GP*CP*C)-3') | Authors: | Burke, J.E, Sashital, D.G, Zuo, X.E, Wang, Y, Butcher, S.E. | Deposit date: | 2011-10-03 | Release date: | 2012-02-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of the yeast U2/U6 snRNA complex. Rna, 18, 2012
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2LKR
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![BU of 2lkr by Molmil](/molmil-images/mine/2lkr) | Yeast U2/U6 complex | Descriptor: | RNA (111-MER) | Authors: | Burke, J.E, Sashital, D.G, Zuo, X, Wang, Y, Butcher, S.E. | Deposit date: | 2011-10-19 | Release date: | 2012-02-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of the yeast U2/U6 snRNA complex. Rna, 18, 2012
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8TC8
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![BU of 8tc8 by Molmil](/molmil-images/mine/8tc8) | Human asparaginyl-tRNA synthetase bound to adenosine 5'-sulfamate | Descriptor: | 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE, Asparagine--tRNA ligase, cytoplasmic, ... | Authors: | Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | Deposit date: | 2023-06-30 | Release date: | 2024-02-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase. Nat Commun, 15, 2024
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8TC7
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![BU of 8tc7 by Molmil](/molmil-images/mine/8tc7) | Human asparaginyl-tRNA synthetase, apo form | Descriptor: | Asparagine--tRNA ligase, cytoplasmic, CHLORIDE ION, ... | Authors: | Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | Deposit date: | 2023-06-30 | Release date: | 2024-02-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase. Nat Commun, 15, 2024
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8JFG
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![BU of 8jfg by Molmil](/molmil-images/mine/8jfg) | |
8JFN
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8JFM
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![BU of 8jfm by Molmil](/molmil-images/mine/8jfm) | |
8JFJ
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![BU of 8jfj by Molmil](/molmil-images/mine/8jfj) | Crystal structure of enoyl-ACP reductase FabI from Helicobacter pylori | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH] | Authors: | Song, W.Y, Zhang, L. | Deposit date: | 2023-05-18 | Release date: | 2023-11-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis. Angew.Chem.Int.Ed.Engl., 62, 2023
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8JFA
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8JFH
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![BU of 8jfh by Molmil](/molmil-images/mine/8jfh) | |