6X4L
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![BU of 6x4l by Molmil](/molmil-images/mine/6x4l) | PANK3 complex structure with compound PZ-3565 | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(5-chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one, CHLORIDE ION, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2020-05-22 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | LipE guided discovery of isopropylphenyl pyridazines as pantothenate kinase modulators. Bioorg.Med.Chem., 52, 2021
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6X4K
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![BU of 6x4k by Molmil](/molmil-images/mine/6x4k) | PANK3 complex structure with compound PZ-2890 | Descriptor: | 1,2-ETHANEDIOL, 4-(6-cyanopyridazin-3-yl)-N-[4-(propan-2-yl)phenyl]-3,4-dihydropyrazine-1(2H)-carboxamide, CHLORIDE ION, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2020-05-22 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | LipE guided discovery of isopropylphenyl pyridazines as pantothenate kinase modulators. Bioorg.Med.Chem., 52, 2021
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6X4J
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![BU of 6x4j by Molmil](/molmil-images/mine/6x4j) | PANK3 complex structure with compound PZ-2863 | Descriptor: | 1,2-ETHANEDIOL, 6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile, MAGNESIUM ION, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2020-05-22 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | LipE guided discovery of isopropylphenyl pyridazines as pantothenate kinase modulators. Bioorg.Med.Chem., 52, 2021
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6XJT
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![BU of 6xjt by Molmil](/molmil-images/mine/6xjt) | Crystal Structure of KPT-8602 bound to CRM1 (537-DLTVK-541 to GLCEQ) | Descriptor: | (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide, Exportin-1, GTP-binding nuclear protein Ran, ... | Authors: | Baumhardt, J.M, Chook, Y.M. | Deposit date: | 2020-06-24 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.406 Å) | Cite: | Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia. J Hematol Oncol, 14, 2021
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6XJP
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6RJ0
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7UE8
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![BU of 7ue8 by Molmil](/molmil-images/mine/7ue8) | PANK3 complex structure with compound PZ-3890 | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethan-1-one, ACETATE ION, ... | Authors: | White, S.W, Yun, M, Lee, R.E. | Deposit date: | 2022-03-21 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Relief of CoA sequestration and restoration of mitochondrial function in a mouse model of propionic acidemia. J Inherit Metab Dis, 46, 2023
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5WMA
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![BU of 5wma by Molmil](/molmil-images/mine/5wma) | N-terminal bromodomain of BRD4 in complex with PLX5981 | Descriptor: | 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Bromodomain-containing protein 4 | Authors: | Zhang, Y. | Deposit date: | 2017-07-28 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor. Cancer Discov, 8, 2018
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7L5E
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1RGA
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4LVQ
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4MQY
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![BU of 4mqy by Molmil](/molmil-images/mine/4mqy) | Crystal Structure of the Escherichia coli LpxC/LPC-138 complex | Descriptor: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-2-methyl-1-nitroso-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ... | Authors: | Lee, C.-J, Najeeb, J, Zhou, P. | Deposit date: | 2013-09-17 | Release date: | 2013-10-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.005 Å) | Cite: | Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC. Acs Chem.Biol., 9, 2014
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4ISA
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![BU of 4isa by Molmil](/molmil-images/mine/4isa) | Crystal Structure of the Escherichia coli LpxC/BB-78485 complex | Descriptor: | (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide, (4S,5S)-1,2-DITHIANE-4,5-DIOL, FORMIC ACID, ... | Authors: | Lee, C.-J, Zhou, P. | Deposit date: | 2013-01-16 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC. Acs Chem.Biol., 9, 2014
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4IS9
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![BU of 4is9 by Molmil](/molmil-images/mine/4is9) | Crystal Structure of the Escherichia coli LpxC/L-161,240 complex | Descriptor: | (4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide, ISOPROPYL ALCOHOL, SODIUM ION, ... | Authors: | Lee, C.-J, Zhou, P. | Deposit date: | 2013-01-16 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC. Acs Chem.Biol., 9, 2014
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5TLB
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![BU of 5tlb by Molmil](/molmil-images/mine/5tlb) | Scabin toxin from Streptomyces scabies in complex with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Scabin | Authors: | Lyons, B, Dutta, D, Ravulapalli, R, Merrill, A.R. | Deposit date: | 2016-10-10 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Characterization of the catalytic signature of Scabin toxin, a DNA-targeting ADP-ribosyltransferase. Biochem. J., 475, 2018
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2MW7
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8GCC
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![BU of 8gcc by Molmil](/molmil-images/mine/8gcc) | T. cruzi topoisomerase II alpha bound to dsDNA and the covalent inhibitor CT1 | Descriptor: | 2-{3-[(Z)-iminomethyl]-1H-1,2,4-triazol-1-yl}-1-{(3M)-3-[2-(trifluoromethyl)phenyl]-6H-pyrrolo[3,4-b]pyridin-6-yl}ethan-1-one, DNA (28-MER), DNA topoisomerase 2 | Authors: | Schenk, A, Deniston, C, Noeske, J. | Deposit date: | 2023-03-01 | Release date: | 2023-07-12 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | Cyanotriazoles are selective topoisomerase II poisons that rapidly cure trypanosome infections. Science, 380, 2023
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6I9R
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![BU of 6i9r by Molmil](/molmil-images/mine/6i9r) | Large subunit of the human mitochondrial ribosome in complex with Virginiamycin M and Quinupristin | Descriptor: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | Authors: | Modelska, A, Aibara, S, Amunts, A. | Deposit date: | 2018-11-25 | Release date: | 2020-07-08 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Inhibition of mitochondrial translation suppresses glioblastoma stem cell growth. Cell Rep, 35, 2021
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6HGY
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![BU of 6hgy by Molmil](/molmil-images/mine/6hgy) | CRYSTAL STRUCTURE OF CATHEPSIN K WITH N-DESMETHYL THALASSOSPIRAMIDE C | Descriptor: | Cathepsin K, THALASSOSPIRAMIDE C | Authors: | Zakarian, A, Buckman, B.O, Adler, M, Griessner, A, Blaesse, M. | Deposit date: | 2018-08-23 | Release date: | 2019-06-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Total Synthesis of Covalent Cysteine Protease Inhibitor N-Desmethyl Thalassospiramide C and Crystallographic Evidence for Its Mode of Action. Org.Lett., 21, 2019
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7JLS
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![BU of 7jls by Molmil](/molmil-images/mine/7jls) | RV3666c bound to tripeptide | Descriptor: | Peptide SER-VAL-ALA, Probable periplasmic dipeptide-binding lipoprotein DppA | Authors: | Lee, R.E, Griffith, E.C, Miller, D.J. | Deposit date: | 2020-07-30 | Release date: | 2021-06-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Biophysical analysis of the Mycobacteria tuberculosis peptide binding protein DppA reveals a stringent peptide binding pocket. Tuberculosis (Edinb), 132, 2021
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5DRQ
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![BU of 5drq by Molmil](/molmil-images/mine/5drq) | Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-040 complex | Descriptor: | N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ... | Authors: | Lee, C.-J, Najeeb, J, Zhou, P. | Deposit date: | 2015-09-16 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Drug design from the cryptic inhibitor envelope. Nat Commun, 7, 2016
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