2HOK
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2HOM
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3WYJ
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![BU of 3wyj by Molmil](/molmil-images/mine/3wyj) | Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-789 | Descriptor: | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific), [1-oxidanyl-2-[3-[3-[[3-[[3-[3-(2-oxidanyl-2,2-diphosphono-ethyl)phenyl]phenyl]sulfamoyl]phenyl]sulfonylamino]phenyl]phenyl]-1-phosphono-ethyl]phosphonic acid | Authors: | Gao, J, Ko, T.P, Huang, C.H, Oldfield, E, Guo, R.T. | Deposit date: | 2014-08-29 | Release date: | 2015-02-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting. J.Med.Chem., 58, 2015
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2FEM
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![BU of 2fem by Molmil](/molmil-images/mine/2fem) | Mutant R188M of the Cytidine Monophosphate Kinase From E. Coli | Descriptor: | Cytidylate kinase | Authors: | Ofiteru, A, Bucurenci, N, Alexov, E, Bertrand, T, Briozzo, P, Munier-Lehmann, H, Tourneux, L, Barzu, O, Gilles, A.M. | Deposit date: | 2005-12-16 | Release date: | 2006-01-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and functional consequences of single amino acid substitutions in the pyrimidine base binding pocket of Escherichia coli CMP kinase. Febs J., 274, 2007
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1CIS
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3ZLV
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![BU of 3zlv by Molmil](/molmil-images/mine/3zlv) | Crystal structure of mouse acetylcholinesterase in complex with tabun and HI-6 | Descriptor: | (2-hydroxyethoxy)acetaldehyde, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | Authors: | Artursson, E, Andersson, P.O, Akfur, C, Linusson, A, Borjegren, S, Ekstrom, F. | Deposit date: | 2013-02-04 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Catalytic-Site Conformational Equilibrium in Nerve-Agent Adducts of Acetylcholinesterase; Possible Implications for the Hi-6 Antidote Substrate Specificity. Biochem.Pharmacol., 85, 2013
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3PAA
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![BU of 3paa by Molmil](/molmil-images/mine/3paa) | Mechanism of inactivation of E. coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid (S-ADFA) pH 8.0 | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminofuran-2-carboxylic acid, Aspartate aminotransferase, ... | Authors: | Liu, D, Pozharski, E, Fu, M, Silverman, R.B, Ringe, D. | Deposit date: | 2010-10-19 | Release date: | 2010-12-01 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanism of inactivation of Escherichia coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid . Biochemistry, 49, 2010
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4BEN
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![BU of 4ben by Molmil](/molmil-images/mine/4ben) | R39-imipenem Acyl-enzyme crystal structure | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, ... | Authors: | Van Elder, D, Sauvage, E, Herman, R, Kerff, F, Rocaboy, M, Charlier, P. | Deposit date: | 2013-03-11 | Release date: | 2013-03-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structures of R39-Imipenem Acyl-Enzyme. To be Published
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3S4U
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2FEO
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![BU of 2feo by Molmil](/molmil-images/mine/2feo) | Mutant R188M of The Cytidine Monophosphate Kinase from E. coli complexed with dCMP | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Cytidylate kinase, SULFATE ION | Authors: | Ofiteru, A, Bucurenci, N, Alexov, E, Bertrand, T, Briozzo, P, Munier-Lehmann, H, Tourneux, L, Barzu, O, Gilles, A.M. | Deposit date: | 2005-12-16 | Release date: | 2006-01-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and functional consequences of single amino acid substitutions in the pyrimidine base binding pocket of Escherichia coli CMP kinase. Febs J., 274, 2007
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3AAU
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![BU of 3aau by Molmil](/molmil-images/mine/3aau) | Bovine beta-trypsin bound to meta-diguanidino schiff base copper (II) chelate | Descriptor: | CALCIUM ION, COPPER (II) ION, Cationic trypsin, ... | Authors: | Iyaguchi, D, Kawano, S, Toyota, E. | Deposit date: | 2009-11-26 | Release date: | 2010-04-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for the design of novel Schiff base metal chelate inhibitors of trypsin Bioorg.Med.Chem., 18, 2010
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3QIN
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2I68
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![BU of 2i68 by Molmil](/molmil-images/mine/2i68) | Cryo-EM based theoretical model structure of transmembrane domain of the multidrug-resistance antiporter from E. coli EmrE | Descriptor: | Protein emrE | Authors: | Fleishman, S.J, Harrington, S.E, Enosh, A, Halperin, D, Tate, C.G, Ben-Tal, N. | Deposit date: | 2006-08-28 | Release date: | 2006-10-03 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (7.5 Å) | Cite: | Quasi-symmetry in the Cryo-EM Structure of EmrE Provides the Key to Modeling its Transmembrane Domain J.Mol.Biol., 364, 2006
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3ZJV
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![BU of 3zjv by Molmil](/molmil-images/mine/3zjv) | Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3213 in the editing conformation | Descriptor: | LEUCINE--TRNA LIGASE, TRNALEU5 UAA ISOACCEPTOR | Authors: | Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J. | Deposit date: | 2013-01-18 | Release date: | 2013-04-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria. Antimicrob.Agents Chemother., 57, 2013
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2GNK
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![BU of 2gnk by Molmil](/molmil-images/mine/2gnk) | GLNK, A SIGNAL PROTEIN FROM E. COLI | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, PROTEIN (NITROGEN REGULATORY PROTEIN) | Authors: | Xu, Y, Cheah, E, Carr, P.D, van Heeswijk, W.C, Westerhoff, H.V, Vasudevan, S.G, Ollis, D.L. | Deposit date: | 1998-07-14 | Release date: | 1999-07-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | GlnK, a PII-homologue: structure reveals ATP binding site and indicates how the T-loops may be involved in molecular recognition. J.Mol.Biol., 282, 1998
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3TN8
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![BU of 3tn8 by Molmil](/molmil-images/mine/3tn8) | CDK9/cyclin T in complex with CAN508 | Descriptor: | 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL, Cyclin-T1, Cyclin-dependent kinase 9, ... | Authors: | Baumli, S, Hole, A.J, Endicott, J.E. | Deposit date: | 2011-09-01 | Release date: | 2012-02-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | The CDK9 C-helix Exhibits Conformational Plasticity That May Explain the Selectivity of CAN508. Acs Chem.Biol., 7, 2012
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1G7O
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![BU of 1g7o by Molmil](/molmil-images/mine/1g7o) | NMR SOLUTION STRUCTURE OF REDUCED E. COLI GLUTAREDOXIN 2 | Descriptor: | GLUTAREDOXIN 2 | Authors: | Xia, B, Vlamis-Gardikas, A, Holmgren, A, Wright, P.E, Dyson, H.J. | Deposit date: | 2000-11-10 | Release date: | 2001-07-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of Escherichia coli glutaredoxin-2 shows similarity to mammalian glutathione-S-transferases. J.Mol.Biol., 310, 2001
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2JSX
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3BFA
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![BU of 3bfa by Molmil](/molmil-images/mine/3bfa) | Crystal structure of a pheromone binding protein from Apis mellifera in complex with the Queen mandibular pheromone | Descriptor: | (2Z)-9-oxodec-2-enoic acid, GLYCEROL, Pheromone-binding protein ASP1 | Authors: | Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C. | Deposit date: | 2007-11-21 | Release date: | 2008-06-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis of the honey bee PBP pheromone and pH-induced conformational change J.Mol.Biol., 380, 2008
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3PA9
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![BU of 3pa9 by Molmil](/molmil-images/mine/3pa9) | Mechanism of inactivation of E. coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid (S-ADFA) pH 7.5 | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminofuran-2-carboxylic acid, Aspartate aminotransferase, ... | Authors: | Liu, D, Pozharski, E, Fu, M, Silverman, R.B, Ringe, D. | Deposit date: | 2010-10-19 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism of inactivation of Escherichia coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid . Biochemistry, 49, 2010
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3OSQ
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![BU of 3osq by Molmil](/molmil-images/mine/3osq) | Maltose-bound maltose sensor engineered by insertion of circularly permuted green fluorescent protein into E. coli maltose binding protein at position 175 | Descriptor: | Maltose-binding periplasmic protein,Green fluorescent protein, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Echevarria, I.M, Marvin, J.S, Looger, L.L, Schreiter, E.R. | Deposit date: | 2010-09-09 | Release date: | 2011-10-26 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A genetically encoded, high-signal-to-noise maltose sensor. Proteins, 79, 2011
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3QIP
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![BU of 3qip by Molmil](/molmil-images/mine/3qip) | Structure of HIV-1 reverse transcriptase in complex with an RNase H inhibitor and nevirapine | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid, CHLORIDE ION, ... | Authors: | Lansdon, E.B, Kirschberg, T.A. | Deposit date: | 2011-01-27 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.0926 Å) | Cite: | Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione HIV-1 RNase H Inhibitors. Antimicrob.Agents Chemother., 55, 2011
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3VW7
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![BU of 3vw7 by Molmil](/molmil-images/mine/3vw7) | Crystal structure of human protease-activated receptor 1 (PAR1) bound with antagonist vorapaxar at 2.2 angstrom | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Proteinase-activated receptor 1, ... | Authors: | Zhang, C, Srinivasan, Y, Arlow, D.H, Fung, J.J, Palmer, D, Zheng, Y, Green, H.F, Pandey, A, Dror, R.O, Shaw, D.E, Weis, W.I, Coughlin, S.R, Kobilka, B.K. | Deposit date: | 2012-08-07 | Release date: | 2012-12-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | High-resolution crystal structure of human protease-activated receptor 1 Nature, 492, 2012
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3OEO
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![BU of 3oeo by Molmil](/molmil-images/mine/3oeo) | The crystal structure E. coli Spy | Descriptor: | CADMIUM ION, Spheroplast protein Y | Authors: | Kwon, E, Kim, D.Y, Gross, C.A, Gross, J.D, Kim, K.K. | Deposit date: | 2010-08-13 | Release date: | 2010-09-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The crystal structure Escherichia coli Spy. Protein Sci., 19, 2010
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3ZGP
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![BU of 3zgp by Molmil](/molmil-images/mine/3zgp) | NMR structure of the catalytic domain from E. faecium L,D- transpeptidase acylated by ertapenem | Descriptor: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, ERFK/YBIS/YCFS/YNHG | Authors: | Lecoq, L, Triboulet, S, Dubee, V, Bougault, C, Hugonnet, J.E, Arthur, M, Simorre, J.P. | Deposit date: | 2012-12-18 | Release date: | 2013-04-24 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The Structure of Enterococcus Faecium L,D---Transpeptidase Acylated by Ertapenem Provides Insight Into the Inactivation Mechanism. Acs Chem.Biol., 8, 2013
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