1BQX
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![BU of 1bqx by Molmil](/molmil-images/mine/1bqx) | ARTIFICIAL FE8S8 FERREDOXIN: THE D13C VARIANT OF BACILLUS SCHLEGELII FE7S8 FERREDOXIN | Descriptor: | IRON/SULFUR CLUSTER, PROTEIN (FERREDOXIN) | Authors: | Aono, S, Bentrop, D, Bertini, I, Cosenza, G, Luchinat, C. | Deposit date: | 1998-08-20 | Release date: | 1998-08-26 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of an artificial Fe8S8 ferredoxin: the D13C variant of Bacillus schlegelii Fe7S8 ferredoxin. Eur.J.Biochem., 258, 1998
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5G06
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![BU of 5g06 by Molmil](/molmil-images/mine/5g06) | Cryo-EM structure of yeast cytoplasmic exosome | Descriptor: | EXOSOME COMPLEX COMPONENT CSL4, EXOSOME COMPLEX COMPONENT MTR3, EXOSOME COMPLEX COMPONENT RRP4, ... | Authors: | Liu, J.J, Niu, C.Y, Wu, Y, Tan, D, Wang, Y, Ye, M.D, Liu, Y, Zhao, W.W, Zhou, K, Liu, Q.S, Dai, J.B, Yang, X.R, Dong, M.Q, Huang, N, Wang, H.W. | Deposit date: | 2016-03-17 | Release date: | 2016-06-15 | Last modified: | 2017-08-02 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryoem Structure of Yeast Cytoplasmic Exosome Complex. Cell Res., 26, 2016
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5FID
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7MYM
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![BU of 7mym by Molmil](/molmil-images/mine/7mym) | Crystal structure of Escherichia coli dihydrofolate reductase in complex with TRIMETHOPRIM and NADPH | Descriptor: | ARGININE, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Erlandsen, H, Wright, D, Krucinska, J. | Deposit date: | 2021-05-21 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens. Commun Biol, 5, 2022
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5FZN
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![BU of 5fzn by Molmil](/molmil-images/mine/5fzn) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, SULFATE ION, benzenesulfonamide | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2016-03-15 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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7NAE
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![BU of 7nae by Molmil](/molmil-images/mine/7nae) | Crystal structure of Escherichia coli dihydrofolate reductase in complex with TRIMETHOPRIM | Descriptor: | Dihydrofolate reductase, SULFATE ION, TRIMETHOPRIM | Authors: | Estrada, A, Wright, D, Krucinska, J, Erlandsen, H. | Deposit date: | 2021-06-21 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens. Commun Biol, 5, 2022
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5G0H
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![BU of 5g0h by Molmil](/molmil-images/mine/5g0h) | Crystal structure of Danio rerio HDAC6 CD2 in complex with (S)- trichostatin A | Descriptor: | 1,2-ETHANEDIOL, HDAC6, POTASSIUM ION, ... | Authors: | Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P. | Deposit date: | 2016-03-18 | Release date: | 2016-07-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition Nat.Chem.Biol., 12, 2016
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3NXH
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![BU of 3nxh by Molmil](/molmil-images/mine/3nxh) | Crystal Structure of the transcriptional regulator yvhJ from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR735. | Descriptor: | transcriptional regulator yvhJ | Authors: | Vorobiev, S, Chen, Y, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-07-13 | Release date: | 2010-08-04 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.584 Å) | Cite: | Crystal Structure of the transcriptional regulator yvhJ from Bacillus subtilis. To be Published
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5FRR
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![BU of 5frr by Molmil](/molmil-images/mine/5frr) | Structure of the Pds5-Scc1 complex and implications for cohesin function | Descriptor: | SISTER CHROMATID COHESION PROTEIN PDS5 | Authors: | Muir, K.W, Kschonsak, M, Li, Y, Metz, J, Haering, C.H, Panne, D. | Deposit date: | 2015-12-22 | Release date: | 2016-03-02 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (5.8 Å) | Cite: | Structure of the Pds5-Scc1 Complex and Implications for Cohesin Function Cell Rep., 14, 2016
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5FUV
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![BU of 5fuv by Molmil](/molmil-images/mine/5fuv) | catalytic domain of Thymidine kinase from Trypanosoma brucei with dThd | Descriptor: | GLYCEROL, PHOSPHATE ION, THYMDINE KINASE, ... | Authors: | Timm, J, Valente, M, Castillo-Acosta, V, Balzarini, T, Nettleship, J.E, Rada, H, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2016-01-31 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cell Cycle Regulation and Novel Structural Features of Thymidine Kinase, an Essential Enzyme in Trypanosoma Brucei. Mol.Microbiol., 102, 2016
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5FML
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![BU of 5fml by Molmil](/molmil-images/mine/5fml) | Crystal structure of the endonuclease from the PA subunit of influenza B virus bound to the PB2 subunit NLS peptide | Descriptor: | GLYCEROL, MAGNESIUM ION, PA SUBUNIT OF INFLUENZA B POLYMERASE, ... | Authors: | Guilligay, D, Gaudon, S, Cusack, S. | Deposit date: | 2015-11-06 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Influenza Polymerase Can Adopt an Alternative Configuration Involving a Radical Repacking of Pb2 Domains. Mol.Cell, 61, 2016
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5FJP
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5FUX
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![BU of 5fux by Molmil](/molmil-images/mine/5fux) | catalytic domain of Thymidine kinase from Trypanosoma brucei with dTMP | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, THYMDINE KINASE, ... | Authors: | Timm, J, Valente, M, Castillo-Acosta, V, Balzarini, T, Nettleship, J.E, Rada, H, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2016-01-31 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cell Cycle Regulation and Novel Structural Features of Thymidine Kinase, an Essential Enzyme in Trypanosoma Brucei. Mol.Microbiol., 102, 2016
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5FTQ
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![BU of 5ftq by Molmil](/molmil-images/mine/5ftq) | Crystal structure of the ALK kinase domain in complex with Cmpd 17 | Descriptor: | ALK TYROSINE KINASE RECEPTOR, GLYCEROL, N-[5-(3,5-DIFLUOROBENZYL)-1H-INDAZOL-3-YL]-2-[(4-HYDROXYCYCLOHEXYL)AMINO]-4-(4-METHYLPIPERAZIN-1-YL) BENZAMIDE | Authors: | Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P. | Deposit date: | 2016-01-14 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor. J.Med.Chem., 59, 2016
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5FIU
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![BU of 5fiu by Molmil](/molmil-images/mine/5fiu) | Binding and structural studies of a 5,5-difluoromethyl adenosine nucleoside with the fluorinase enzyme | Descriptor: | 5'-FLUORO-5'-DEOXY-ADENOSINE SYNTHASE, 5,5-DIFLUOROMETHYL ADENOSINE, L(+)-TARTARIC ACID | Authors: | Thompson, S, McMahon, S.A, Naismith, J.H, O'Hagan, D. | Deposit date: | 2015-10-02 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Exploration of a Potential Difluoromethyl-Nucleoside Substrate with the Fluorinase Enzyme. Bioorg.Chem., 64, 2015
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5FOZ
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![BU of 5foz by Molmil](/molmil-images/mine/5foz) | De novo structure of the binary mosquito larvicide BinAB at pH 10 | Descriptor: | LARVICIDAL TOXIN PROTEIN, SODIUM ION, TOXIN | Authors: | Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S. | Deposit date: | 2015-11-26 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure. Nature, 539, 2016
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5G0J
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![BU of 5g0j by Molmil](/molmil-images/mine/5g0j) | Crystal structure of Danio rerio HDAC6 CD1 and CD2 (linker intact) in complex with Nexturastat A | Descriptor: | CHLORIDE ION, HDAC6, NEXTURASTAT A, ... | Authors: | Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P. | Deposit date: | 2016-03-18 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition Nat.Chem.Biol., 12, 2016
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5FIQ
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![BU of 5fiq by Molmil](/molmil-images/mine/5fiq) | Exonuclease domain-containing 1 (Exd1) in the native conformation | Descriptor: | EXD1 | Authors: | Yang, Z, Chen, K.M, Pandey, R.R, Homolka, D, Reuter, M, Rodino Janeiro, B.K, Sachidanandam, R, Fauvarque, M.O, McCarthy, A.A, Pillai, R.S. | Deposit date: | 2015-10-01 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Piwi Slicing and Exd1 Drive Biogenesis of Nuclear Pirnas from Cytosolic Targets of the Mouse Pirna Pathway Mol.Cell, 61, 2016
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5FM9
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![BU of 5fm9 by Molmil](/molmil-images/mine/5fm9) | human Notch 1, EGF 4-7 | Descriptor: | CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1 | Authors: | Weisshuhn, P.C, Sheppard, D, Taylor, P, Whiteman, P, Lea, S.M, Handford, P.A, Redfield, C. | Deposit date: | 2015-11-02 | Release date: | 2016-04-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Non-Linear and Flexible Regions of the Human Notch1 Extracellular Domain Revealed by High-Resolution Structural Studies. Structure, 24, 2016
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5O7N
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![BU of 5o7n by Molmil](/molmil-images/mine/5o7n) | Beta-lactamase VIM-2 in complex with (2R)-1-(2-Benzyl-3-mercaptopropanoyl)piperidine-2-carboxylic acid | Descriptor: | (2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase VIM-2, ... | Authors: | Buettner, D, Kramer, J.S, Pogoryelov, D, Proschak, E. | Deposit date: | 2017-06-09 | Release date: | 2018-06-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Challenges in the Development of a Thiol-Based Broad-Spectrum Inhibitor for Metallo-beta-Lactamases. Acs Infect Dis., 4, 2018
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3NWZ
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![BU of 3nwz by Molmil](/molmil-images/mine/3nwz) | Crystal Structure of BH2602 protein from Bacillus halodurans with CoA, Northeast Structural Genomics Consortium Target BhR199 | Descriptor: | BH2602 protein, COENZYME A, SULFATE ION | Authors: | Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-07-12 | Release date: | 2010-09-08 | Last modified: | 2012-02-22 | Method: | X-RAY DIFFRACTION (2.566 Å) | Cite: | Northeast Structural Genomics Consortium Target BhR199 To be published
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5FOC
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![BU of 5foc by Molmil](/molmil-images/mine/5foc) | Crystal structure of the P.falciparum cytosolic leucyl-tRNA synthetase editing domain (space group P21) | Descriptor: | LEUCYL-TRNA SYNTHETASE | Authors: | Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J. | Deposit date: | 2015-11-19 | Release date: | 2016-06-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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5G0G
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![BU of 5g0g by Molmil](/molmil-images/mine/5g0g) | Crystal structure of Danio rerio HDAC6 CD1 in complex with trichostatin A | Descriptor: | CHLORIDE ION, HDAC6, SODIUM ION, ... | Authors: | Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P. | Deposit date: | 2016-03-18 | Release date: | 2016-07-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition Nat.Chem.Biol., 12, 2016
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5FOF
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![BU of 5fof by Molmil](/molmil-images/mine/5fof) | Crystal structure of the P.knowlesi cytosolic leucyl-tRNA synthetase editing domain | Descriptor: | LEUCYL-TRNA SYNTHETASE | Authors: | Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J. | Deposit date: | 2015-11-19 | Release date: | 2016-06-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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5FOD
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![BU of 5fod by Molmil](/molmil-images/mine/5fod) | Crystal structure of the P.falciparum cytosolic leucyl-tRNA synthetase editing domain (space group P1) containing deletions of insertions 1 and 3 | Descriptor: | 1,2-ETHANEDIOL, LEUCYL-TRNA SYNTHETASE | Authors: | Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J. | Deposit date: | 2015-11-19 | Release date: | 2016-06-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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