5CDP
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![BU of 5cdp by Molmil](/molmil-images/mine/5cdp) | 2.45A structure of etoposide with S.aureus DNA gyrase and DNA | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit A, ... | Authors: | Bax, B.D, Srikannathasan, V, Chan, P.F. | Deposit date: | 2015-07-04 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin. Nat Commun, 6, 2015
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6XPP
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![BU of 6xpp by Molmil](/molmil-images/mine/6xpp) | |
6N61
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![BU of 6n61 by Molmil](/molmil-images/mine/6n61) | Escherichia coli RNA polymerase sigma70-holoenzyme bound to upstream fork promoter DNA and Capistruin | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Capistruin, ... | Authors: | Braffman, N, Hauver, J, Campbell, E.A, Darst, S.A. | Deposit date: | 2018-11-24 | Release date: | 2019-01-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.253 Å) | Cite: | Structural mechanism of transcription inhibition by lasso peptides microcin J25 and capistruin. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6N60
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![BU of 6n60 by Molmil](/molmil-images/mine/6n60) | Escherichia coli RNA polymerase sigma70-holoenzyme bound to upstream fork promoter DNA and Microcin J25 (MccJ25) | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Braffman, N, Hauver, J, Campbell, E.A, Darst, S.A. | Deposit date: | 2018-11-23 | Release date: | 2019-01-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.68 Å) | Cite: | Structural mechanism of transcription inhibition by lasso peptides microcin J25 and capistruin. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6UGK
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![BU of 6ugk by Molmil](/molmil-images/mine/6ugk) | |
5EUH
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![BU of 5euh by Molmil](/molmil-images/mine/5euh) | Crystal structure of the c-di-GMP-bound GGDEF domain of P. fluorescens GcbC | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Putative GGDEF domain membrane protein, SULFATE ION | Authors: | Giglio, K.M, Cooley, R.B, Sondermann, H. | Deposit date: | 2015-11-18 | Release date: | 2015-12-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.989 Å) | Cite: | Contribution of Physical Interactions to Signaling Specificity between a Diguanylate Cyclase and Its Effector. Mbio, 6, 2015
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6N62
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![BU of 6n62 by Molmil](/molmil-images/mine/6n62) | Escherichia coli RNA polymerase sigma70-holoenzyme bound to upstream fork promoter DNA | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Braffman, N, Hauver, J, Campbell, E.A, Darst, S.A. | Deposit date: | 2018-11-24 | Release date: | 2019-01-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.803 Å) | Cite: | Structural mechanism of transcription inhibition by lasso peptides microcin J25 and capistruin. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5W8J
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![BU of 5w8j by Molmil](/molmil-images/mine/5w8j) | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 | Descriptor: | 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Lukacs, C.M, Moulin, A. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017
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6Q0D
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![BU of 6q0d by Molmil](/molmil-images/mine/6q0d) | CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ... | Authors: | Dranow, D.M, Davies, D.R. | Deposit date: | 2019-08-01 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties. J.Med.Chem., 63, 2020
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5TXE
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5W8K
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![BU of 5w8k by Molmil](/molmil-images/mine/5w8k) | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 and NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ... | Authors: | Lukacs, C.M, Dranow, D.M. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017
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6Q13
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![BU of 6q13 by Molmil](/molmil-images/mine/6q13) | CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00420737-09 AT 2.00 A RESOLUTION | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ... | Authors: | Davies, D.R, Dranow, D.M. | Deposit date: | 2019-08-02 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties. J.Med.Chem., 63, 2020
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6EDW
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![BU of 6edw by Molmil](/molmil-images/mine/6edw) | |
6EE1
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![BU of 6ee1 by Molmil](/molmil-images/mine/6ee1) | |
6EDZ
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5W8I
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![BU of 5w8i by Molmil](/molmil-images/mine/5w8i) | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 23 and Zinc | Descriptor: | 2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, CITRIC ACID, DIMETHYL SULFOXIDE, ... | Authors: | Lukacs, C.M, Abendroth, J. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017
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5W8H
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![BU of 5w8h by Molmil](/molmil-images/mine/5w8h) | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 11 | Descriptor: | 2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Lukacs, C.M, Dranow, D.M. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017
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5TXC
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![BU of 5txc by Molmil](/molmil-images/mine/5txc) | AtxE2 Isopeptidase - APO | Descriptor: | AtxE2 | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2016-11-16 | Release date: | 2016-12-21 | Last modified: | 2017-01-04 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Structure of the Lasso Peptide Isopeptidase Identifies a Topology for Processing Threaded Substrates. J. Am. Chem. Soc., 138, 2016
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5W8L
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![BU of 5w8l by Molmil](/molmil-images/mine/5w8l) | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 59 and NADH | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, ... | Authors: | Davies, D.R, Dranow, D.M. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017
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1SUG
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![BU of 1sug by Molmil](/molmil-images/mine/1sug) | 1.95 A structure of apo protein tyrosine phosphatase 1B | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Protein-tyrosine phosphatase, ... | Authors: | Pedersen, A.K, Peters, G.H, Moller, K.B, Iversen, L.F, Kastrup, J.S. | Deposit date: | 2004-03-26 | Release date: | 2004-09-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Water-molecule network and active-site flexibility of apo protein tyrosine phosphatase 1B. Acta Crystallogr.,Sect.D, 60, 2004
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2GZD
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![BU of 2gzd by Molmil](/molmil-images/mine/2gzd) | Crystal Structure of Rab11 in Complex with Rab11-FIP2 | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Rab11 family-interacting protein 2, ... | Authors: | Khan, A.R. | Deposit date: | 2006-05-11 | Release date: | 2006-08-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Crystal structure of rab11 in complex with rab11 family interacting protein 2. Structure, 14, 2006
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2GZH
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![BU of 2gzh by Molmil](/molmil-images/mine/2gzh) | |
7MYV
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![BU of 7myv by Molmil](/molmil-images/mine/7myv) | Plasmodium falciparum HAD5/PMM | Descriptor: | MAGNESIUM ION, Phosphomannomutase | Authors: | Frasse, P.M, Odom John, A.R, Goldberg, D.E. | Deposit date: | 2021-05-21 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.51 Å) | Cite: | Enzymatic and structural characterization of HAD5, an essential phosphomannomutase of malaria-causing parasites. J.Biol.Chem., 298, 2022
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2M8F
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![BU of 2m8f by Molmil](/molmil-images/mine/2m8f) | Structure of lasso peptide astexin3 | Descriptor: | astexin3 | Authors: | Maksimov, M.O, Link, A. | Deposit date: | 2013-05-18 | Release date: | 2013-07-31 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Discovery and characterization of an isopeptidase that linearizes lasso peptides. J.Am.Chem.Soc., 135, 2013
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2N6U
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![BU of 2n6u by Molmil](/molmil-images/mine/2n6u) | Solution study of Astexin2-dC4 | Descriptor: | Astexin2-dC4 | Authors: | Link, A, Maksimov, M.O. | Deposit date: | 2015-08-28 | Release date: | 2015-11-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Elucidating the Specificity Determinants of the AtxE2 Lasso Peptide Isopeptidase. J.Biol.Chem., 290, 2015
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