3VJN
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![BU of 3vjn by Molmil](/molmil-images/mine/3vjn) | Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in complex with AMPPNP. | Descriptor: | Epidermal growth factor receptor, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Semba, K, Yamamoto, T, Yokoyama, S. | Deposit date: | 2011-10-27 | Release date: | 2012-03-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor. Oncogene, 32, 2013
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3EK5
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![BU of 3ek5 by Molmil](/molmil-images/mine/3ek5) | Unique GTP-binding Pocket and Allostery of UMP Kinase from a Gram-Negative Phytopathogen Bacterium | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Uridylate kinase | Authors: | Tu, J.-L, Chin, K.-H, Wang, A.H.-J, Chou, S.-H. | Deposit date: | 2008-09-18 | Release date: | 2008-12-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Unique GTP-Binding Pocket and Allostery of Uridylate Kinase from a Gram-Negative Phytopathogenic Bacterium J.Mol.Biol., 385, 2009
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3EK6
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![BU of 3ek6 by Molmil](/molmil-images/mine/3ek6) | |
5AGV
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![BU of 5agv by Molmil](/molmil-images/mine/5agv) | The sliding clamp of Mycobacterium tuberculosis in complex with a natural product. | Descriptor: | (R,R)-2,3-BUTANEDIOL, CALCIUM ION, CYCLOHEXYL GRISELIMYCIN, ... | Authors: | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | Deposit date: | 2015-02-03 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins. Science, 348, 2015
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5AYE
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![BU of 5aye by Molmil](/molmil-images/mine/5aye) | Crystal structure of Ruminococcus albus beta-(1,4)-mannooligosaccharide phosphorylase (RaMP2) in complexes with phosphate and beta-(1,4)-mannobiose | Descriptor: | Beta-1,4-mannooligosaccharide phosphorylase, PHOSPHATE ION, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | Authors: | Ye, Y, Saburi, W, Kato, K, Yao, M. | Deposit date: | 2015-08-13 | Release date: | 2016-03-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into the difference in substrate recognition of two mannoside phosphorylases from two GH130 subfamilies. Febs Lett., 590, 2016
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5AYD
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![BU of 5ayd by Molmil](/molmil-images/mine/5ayd) | Crystal structure of Ruminococcus albus beta-(1,4)-mannooligosaccharide phosphorylase (RaMP2) in complexes with phosphate | Descriptor: | Beta-1,4-mannooligosaccharide phosphorylase, PHOSPHATE ION | Authors: | Ye, Y, Saburi, W, Kato, K, Yao, M. | Deposit date: | 2015-08-13 | Release date: | 2016-03-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insights into the difference in substrate recognition of two mannoside phosphorylases from two GH130 subfamilies. Febs Lett., 590, 2016
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3VJO
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![BU of 3vjo by Molmil](/molmil-images/mine/3vjo) | Crystal structure of the wild-type EGFR kinase domain in complex with AMPPNP. | Descriptor: | Epidermal growth factor receptor, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Semba, K, Yamamoto, T, Yokoyama, S. | Deposit date: | 2011-10-27 | Release date: | 2012-03-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor. Oncogene, 32, 2013
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4MJR
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![BU of 4mjr by Molmil](/molmil-images/mine/4mjr) | E. coli sliding clamp in complex with (S)-Carprofen | Descriptor: | (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-09-04 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | DNA replication is the target for the antibacterial effects of nonsteroidal anti-inflammatory drugs. Chem.Biol., 21, 2014
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3DLN
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![BU of 3dln by Molmil](/molmil-images/mine/3dln) | Crystal structure of the binding domain of the AMPA subunit GluR3 bound to glutamate | Descriptor: | GLUTAMIC ACID, Glutamate receptor 3, ZINC ION | Authors: | Ahmed, A.H, Wang, Q, Sondermann, H, Oswald, R.E. | Deposit date: | 2008-06-27 | Release date: | 2008-11-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structure of the S1S2 glutamate binding domain of GLuR3. Proteins, 75, 2008
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4MJP
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![BU of 4mjp by Molmil](/molmil-images/mine/4mjp) | E. coli sliding clamp in complex with (R)-Vedaprofen | Descriptor: | (2R)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-09-04 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.855 Å) | Cite: | DNA replication is the target for the antibacterial effects of nonsteroidal anti-inflammatory drugs. Chem.Biol., 21, 2014
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5AGU
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![BU of 5agu by Molmil](/molmil-images/mine/5agu) | The sliding clamp of Mycobacterium tuberculosis in complex with a natural product. | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA POLYMERASE III SUBUNIT BETA, ... | Authors: | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | Deposit date: | 2015-02-03 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.173 Å) | Cite: | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins. Science, 348, 2015
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1YQW
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![BU of 1yqw by Molmil](/molmil-images/mine/1yqw) | Structure of the Oxidized Unready Form of Ni-Fe Hydrogenase | Descriptor: | BICARBONATE ION, CARBONMONOXIDE-(DICYANO) IRON, FE (II) ION, ... | Authors: | Volbeda, A. | Deposit date: | 2005-02-02 | Release date: | 2005-04-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural differences between the ready and unready oxidized states of [NiFe] hydrogenases. J.Biol.Inorg.Chem., 10, 2005
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4MJQ
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![BU of 4mjq by Molmil](/molmil-images/mine/4mjq) | E. coli sliding clamp in complex with Bromfenac | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-09-04 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | DNA replication is the target for the antibacterial effects of nonsteroidal anti-inflammatory drugs. Chem.Biol., 21, 2014
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5AY9
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![BU of 5ay9 by Molmil](/molmil-images/mine/5ay9) | |
4YV5
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![BU of 4yv5 by Molmil](/molmil-images/mine/4yv5) | Crystal Structure of Myotoxin II from Bothrops moojeni complexed to Suramin | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, Basic phospholipase A2 homolog 2, ... | Authors: | Salvador, G.H.M, Fontes, M.R.M. | Deposit date: | 2015-03-19 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and functional evidence for membrane docking and disruption sites on phospholipase A2-like proteins revealed by complexation with the inhibitor suramin. Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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5AYC
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![BU of 5ayc by Molmil](/molmil-images/mine/5ayc) | Crystal structure of Ruminococcus albus 4-O-beta-D-mannosyl-D-glucose phosphorylase (RaMP1) in complexes with sulfate and 4-O-beta-D-mannosyl-D-glucose | Descriptor: | 4-O-beta-D-mannosyl-D-glucose phosphorylase, SULFATE ION, beta-D-mannopyranose-(1-4)-beta-D-glucopyranose | Authors: | Ye, Y, Saburi, W, Kato, K, Yao, M. | Deposit date: | 2015-08-13 | Release date: | 2016-03-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into the difference in substrate recognition of two mannoside phosphorylases from two GH130 subfamilies. Febs Lett., 590, 2016
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4Z0G
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![BU of 4z0g by Molmil](/molmil-images/mine/4z0g) | Structure of the IMPDH from Ashbya gossypii bound to GMP | Descriptor: | GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ... | Authors: | Buey, R.M, de Pereda, J.M, Revuelta, J.L. | Deposit date: | 2015-03-26 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Guanine nucleotide binding to the Bateman domain mediates the allosteric inhibition of eukaryotic IMP dehydrogenases. Nat Commun, 6, 2015
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1YYP
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![BU of 1yyp by Molmil](/molmil-images/mine/1yyp) | Crystal structure of cytomegalovirus UL44 bound to C-terminal peptide from CMV UL54 | Descriptor: | 1,2-ETHANEDIOL, DNA polymerase, DNA polymerase processivity factor, ... | Authors: | Appleton, B.A, Brooks, J, Loregian, A, Filman, D.J, Coen, D.M, Hogle, J.M. | Deposit date: | 2005-02-25 | Release date: | 2005-12-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the cytomegalovirus DNA polymerase subunit UL44 in complex with the C terminus from the catalytic subunit. Differences in structure and function relative to unliganded UL44. J.Biol.Chem., 281, 2006
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3ECN
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![BU of 3ecn by Molmil](/molmil-images/mine/3ecn) | Crystal structure of PDE8A catalytic domain in complex with IBMX | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... | Authors: | Wang, H, Yan, Z, Yang, S, Cai, J, Robinson, H, Ke, H. | Deposit date: | 2008-09-01 | Release date: | 2008-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Kinetic and structural studies of phosphodiesterase-8A and implication on the inhibitor selectivity Biochemistry, 47, 2008
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3VOL
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![BU of 3vol by Molmil](/molmil-images/mine/3vol) | X-ray Crystal Structure of PAS-HAMP Aer2 in the CN-bound Form | Descriptor: | Aerotaxis transducer Aer2, CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sawai, H, Sugimoto, H, Shiro, Y, Aono, S. | Deposit date: | 2012-01-27 | Release date: | 2012-05-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.399 Å) | Cite: | Structural basis for oxygen sensing and signal transduction of the heme-based sensor protein Aer2 from Pseudomonas aeruginosa Chem.Commun.(Camb.), 48, 2012
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7POO
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![BU of 7poo by Molmil](/molmil-images/mine/7poo) | Crystal structure of profragilysin-3 (proBFT-3) from Bacteroides fragilis in complex with foliosidine in P212121. | Descriptor: | ACETATE ION, BFT-3, PROLINE, ... | Authors: | Eckhard, U, Guevara, T, Gomis-Ruth, F.X. | Deposit date: | 2021-09-09 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Repositioning small molecule drugs as allosteric inhibitors of the BFT-3 toxin from enterotoxigenic Bacteroides fragilis. Protein Sci., 31, 2022
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7POQ
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![BU of 7poq by Molmil](/molmil-images/mine/7poq) | Crystal structure of profragilysin-3 (proBFT-3) from Bacteroides fragilis in complex with foliosidine in P41212. | Descriptor: | 1,2-ETHANEDIOL, BFT-3, CHLORIDE ION, ... | Authors: | Eckhard, U, Guevara, T, Gomis-Ruth, F.X. | Deposit date: | 2021-09-09 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Repositioning small molecule drugs as allosteric inhibitors of the BFT-3 toxin from enterotoxigenic Bacteroides fragilis. Protein Sci., 31, 2022
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7PND
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![BU of 7pnd by Molmil](/molmil-images/mine/7pnd) | Crystal structure of profragilysin-3 (proBFT-3) from Bacteroides fragilis at 1.85 A resolution. | Descriptor: | BFT-3, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Eckhard, U, Guevara, T, Gomis-Ruth, F.X. | Deposit date: | 2021-09-06 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Repositioning small molecule drugs as allosteric inhibitors of the BFT-3 toxin from enterotoxigenic Bacteroides fragilis. Protein Sci., 31, 2022
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7POL
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![BU of 7pol by Molmil](/molmil-images/mine/7pol) | Crystal structure of profragilysin-3 (proBFT-3) from Bacteroides fragilis in complex with flumequine | Descriptor: | (12~{R})-7-fluoranyl-12-methyl-4-oxidanylidene-1-azatricyclo[7.3.1.0^{5,13}]trideca-2,5(13),6,8-tetraene-3-carboxylic acid, BFT-3, CHLORIDE ION, ... | Authors: | Eckhard, U, Guevara, T, Gomis-Ruth, F.X. | Deposit date: | 2021-09-09 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Repositioning small molecule drugs as allosteric inhibitors of the BFT-3 toxin from enterotoxigenic Bacteroides fragilis. Protein Sci., 31, 2022
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7POU
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![BU of 7pou by Molmil](/molmil-images/mine/7pou) | Crystal structure of profragilysin-3 (proBFT-3) from Bacteroides fragilis in complex with hesperetin. | Descriptor: | (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one, BFT-3, DIMETHYL SULFOXIDE, ... | Authors: | Eckhard, U, Guevara, T, Gomis-Ruth, F.X. | Deposit date: | 2021-09-09 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Repositioning small molecule drugs as allosteric inhibitors of the BFT-3 toxin from enterotoxigenic Bacteroides fragilis. Protein Sci., 31, 2022
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