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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4QTP
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![BU of 4qtp by Molmil](/molmil-images/mine/4qtp) | Crystal Structure of an Anti-sigma Factor Antagonist from Mycobacterium paratuberculosis | Descriptor: | 1,2-ETHANEDIOL, Anti-sigma factor antagonist, CITRIC ACID, ... | Authors: | Dranow, D.M, Clifton, M.C, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2014-07-08 | Release date: | 2014-07-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of an Anti-sigma Factor Antagonist from Mycobacterium paratuberculosis TO BE PUBLISHED
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5IFU
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![BU of 5ifu by Molmil](/molmil-images/mine/5ifu) | Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with Glyburide | Descriptor: | 1,2-ETHANEDIOL, 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, CHLORIDE ION, ... | Authors: | Dranow, D.M, Hewitt, S.N, Abendroth, J, Structural Genomics Consortium (SGC) | Deposit date: | 2016-02-26 | Release date: | 2016-11-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Biochemical and Structural Characterization of Selective Allosteric Inhibitors of the Plasmodium falciparum Drug Target, Prolyl-tRNA-synthetase. ACS Infect Dis, 3, 2017
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4NOZ
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![BU of 4noz by Molmil](/molmil-images/mine/4noz) | Crystal Structure of an Organic Hydroperoxide Resistance Protein from Burkholderia cenocepacia | Descriptor: | 1,2-ETHANEDIOL, Organic hydroperoxide resistance protein | Authors: | Dranow, D.M, Lukacs, C.M, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2013-11-20 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystal Structure of an Organic Hydroperoxide Resistance Protein from Burkholderia cenocepacia TO BE PUBLISHED
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4NIM
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![BU of 4nim by Molmil](/molmil-images/mine/4nim) | |
4NPS
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![BU of 4nps by Molmil](/molmil-images/mine/4nps) | Crystal Structure of Bep1 protein (VirB-translocated Bartonella effector protein) from Bartonella clarridgeiae | Descriptor: | ACETATE ION, Bartonella effector protein (Bep) substrate of VirB T4SS | Authors: | Dranow, D.M, Abendroth, J, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2013-11-22 | Release date: | 2014-10-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Evolutionary Diversification of Host-Targeted Bartonella Effectors Proteins Derived from a Conserved FicTA Toxin-Antitoxin Module. Microorganisms, 9, 2021
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4NI5
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![BU of 4ni5 by Molmil](/molmil-images/mine/4ni5) | Crystal Structure of a Short Chain Dehydrogenase from Brucella suis | Descriptor: | MAGNESIUM ION, Oxidoreductase, short-chain dehydrogenase/reductase family protein | Authors: | Dranow, D.M, Abendroth, J, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2013-11-05 | Release date: | 2013-11-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of a Short Chain Dehydrogenase from Brucella suis TO BE PUBLISHED
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6CHD
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![BU of 6chd by Molmil](/molmil-images/mine/6chd) | |
4NPC
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![BU of 4npc by Molmil](/molmil-images/mine/4npc) | Crystal Structure of an Oxidoreductase, Short-Chain Dehydrogenase/Reductase Family Protein from Brucella suis | Descriptor: | ACETATE ION, Sorbitol dehydrogenase | Authors: | Dranow, D.M, Davies, D.R, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2013-11-21 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of an Oxidoreductase, Short-Chain Dehydrogenase/Reductase Family Protein from Brucella suis To be Published
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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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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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4WJB
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![BU of 4wjb by Molmil](/molmil-images/mine/4wjb) | X-ray crystal structure of a putative amidohydrolase/peptidase from Burkholderia cenocepacia | Descriptor: | 1,2-ETHANEDIOL, Putative amidohydrolase/peptidase, SULFATE ION, ... | Authors: | Lukacs, C.M, Dranow, D.M, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2014-09-29 | Release date: | 2014-10-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | X-ray crystal structure of a putative amidohydrolase/peptidase from Burkholderia cenocepacia To Be Published
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4WMW
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![BU of 4wmw by Molmil](/molmil-images/mine/4wmw) | The structure of MBP-MCL1 bound to ligand 5 at 1.9A | Descriptor: | 1,2-ETHANEDIOL, 2-hydroxy-5-(methylsulfanyl)benzoic acid, FORMIC ACID, ... | Authors: | Clifton, M.C, Dranow, D.M. | Deposit date: | 2014-10-09 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
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4WMS
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![BU of 4wms by Molmil](/molmil-images/mine/4wms) | STRUCTURE OF APO MBP-MCL1 AT 1.9A | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ... | Authors: | Clifton, M.C, Dranow, D.M. | Deposit date: | 2014-10-09 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
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4WHX
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![BU of 4whx by Molmil](/molmil-images/mine/4whx) | X-ray Crystal Structure of an Amino Acid Aminotransferase from Burkholderia pseudomallei Bound to the Co-factor Pyridoxal Phosphate | Descriptor: | 1,2-ETHANEDIOL, ALANINE, Branched-chain-amino-acid transaminase | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fairman, J.W, Dranow, D.M, Taylor, B.M, Lorimer, D, Edwards, T.E. | Deposit date: | 2014-09-23 | Release date: | 2014-10-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | X-ray Crystal Structure of an Amino Acid Aminotransferase from Burkholderia pseudomallei Bound to the Co-factor Pyridoxal Phosphate to be published
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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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4TMD
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![BU of 4tmd by Molmil](/molmil-images/mine/4tmd) | X-ray structure of Putative uncharacterized protein (Rv0999 ortholog) from Mycobacterium smegmatis | Descriptor: | IODIDE ION, Uncharacterized protein | Authors: | Horanyi, P.S, Dranow, D.M, Abendroth, J, Lorimer, D, Edwards, T, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2014-06-01 | Release date: | 2014-07-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure of Putative uncharacterized protein (Rv0999 ortholog) from Mycobacterium smegmatis To Be Published
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6DAV
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![BU of 6dav by Molmil](/molmil-images/mine/6dav) | Crystal Structure of Human DHFR complexed with NADP and N10formyltetrahydrofolate | Descriptor: | 1,2-ETHANEDIOL, Dihydrofolate reductase, N-(4-{[(2,4-diaminopteridin-6-yl)methyl](hydroxymethyl)amino}benzene-1-carbonyl)-L-glutamic acid, ... | Authors: | Mayclin, S.J, Dranow, D.M, Lorimer, D.D. | Deposit date: | 2018-05-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal Structure of Human DHFR complexed with NADP and N10formyltetrahydrofolate to be published
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4WMX
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![BU of 4wmx by Molmil](/molmil-images/mine/4wmx) | The structure of MBP-MCL1 bound to ligand 6 at 2.0A | Descriptor: | 4-ethenyl-2-[(phenylsulfonyl)amino]benzoic acid, FORMIC ACID, MAGNESIUM ION, ... | Authors: | Clifton, M.C, Dranow, D.M. | Deposit date: | 2014-10-09 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
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4WMT
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![BU of 4wmt by Molmil](/molmil-images/mine/4wmt) | STRUCTURE OF MBP-MCL1 BOUND TO ligand 1 AT 2.35A | Descriptor: | 1,2-ETHANEDIOL, 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid, FORMIC ACID, ... | Authors: | Clifton, M.C, Dranow, D.M. | Deposit date: | 2014-10-09 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
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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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5V8T
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![BU of 5v8t by Molmil](/molmil-images/mine/5v8t) | Crystal structure of SMT fusion Peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with SF354 | Descriptor: | 2-{[3,5-bis(2-methoxyethoxy)benzene-1-carbonyl]amino}ethyl (2S)-1-(benzylsulfonyl)piperidine-2-carboxylate, FORMIC ACID, MAGNESIUM ION, ... | Authors: | Lorimer, D.D, Dranow, D.M, Seufert, F, Abendroth, J, Holzgrabe, U. | Deposit date: | 2017-03-22 | Release date: | 2018-03-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of SMT fusion Peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with SF354 to be published
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5TQJ
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![BU of 5tqj by Molmil](/molmil-images/mine/5tqj) | |
5B8I
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![BU of 5b8i by Molmil](/molmil-images/mine/5b8i) | Crystal structure of Calcineurin A and Calcineurin B in complex with FKBP12 and FK506 from Coccidioides immitis RS | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, ... | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Dranow, D.M, Lorimer, D.D, Edwards, T.E. | Deposit date: | 2015-05-03 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents. Nat Commun, 10, 2019
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5UUI
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![BU of 5uui by Molmil](/molmil-images/mine/5uui) | Crystal Structure of Spin-Labeled T77C TNFa | Descriptor: | S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, Tumor necrosis factor | Authors: | Horanyi, P.S, Dranow, D.M, Ceska, T. | Deposit date: | 2017-02-16 | Release date: | 2017-08-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Natural Conformational Sampling of Human TNF alpha Visualized by Double Electron-Electron Resonance. Biophys. J., 113, 2017
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