1ZPR
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![BU of 1zpr by Molmil](/molmil-images/mine/1zpr) | E. COLI THYMIDYLATE SYNTHASE MUTANT E58Q IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Sage, C.R, Stout, T.J, Rutenber, E.E, Stroud, R.M. | Deposit date: | 1996-10-15 | Release date: | 1997-07-07 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An essential role for water in an enzyme reaction mechanism: the crystal structure of the thymidylate synthase mutant E58Q. Biochemistry, 35, 1996
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5FQT
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![BU of 5fqt by Molmil](/molmil-images/mine/5fqt) | Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 4. | Descriptor: | (E)-3-[4-(6-hydroxy-2-isobutyl-5-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR ALPHA | Authors: | Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D. | Deposit date: | 2015-12-14 | Release date: | 2016-02-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat. Acs Med.Chem.Lett., 7, 2016
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2WDQ
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![BU of 2wdq by Molmil](/molmil-images/mine/2wdq) | E. coli succinate:quinone oxidoreductase (SQR) with carboxin bound | Descriptor: | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G. | Deposit date: | 2009-03-25 | Release date: | 2009-08-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of Escherichia coli succinate:quinone oxidoreductase with an occupied and empty quinone-binding site. J. Biol. Chem., 284, 2009
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5FQP
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![BU of 5fqp by Molmil](/molmil-images/mine/5fqp) | Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 1. | Descriptor: | (E)-3-[4-[(1R,3R)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR ALPHA | Authors: | Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D. | Deposit date: | 2015-12-14 | Release date: | 2016-02-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat. Acs Med.Chem.Lett., 7, 2016
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5FQS
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![BU of 5fqs by Molmil](/molmil-images/mine/5fqs) | Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 3. | Descriptor: | (E)-3-[4-(6-HYDROXY-2-ISOBUTYL-1-METHYL-3,4-DIHYDROISOQUINOLIN-1-YL)PHENYL]PROP-2-ENOIC ACID, ESTROGEN RECEPTOR | Authors: | Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D. | Deposit date: | 2015-12-14 | Release date: | 2016-02-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat. Acs Med.Chem.Lett., 7, 2016
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7UO1
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![BU of 7uo1 by Molmil](/molmil-images/mine/7uo1) | E.coli RNaseP Holoenzyme with Mg2+ | Descriptor: | CALCIUM ION, E.coli RNase P RNA, Precursor tRNA substrate U(-1) and A(-2), ... | Authors: | Huang, W, Taylor, D.J. | Deposit date: | 2022-04-12 | Release date: | 2022-09-28 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural and mechanistic basis for recognition of alternative tRNA precursor substrates by bacterial ribonuclease P. Nat Commun, 13, 2022
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1KCE
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![BU of 1kce by Molmil](/molmil-images/mine/1kce) | E. COLI THYMIDYLATE SYNTHASE MUTANT E58Q IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Sage, C.R, Rutenber, E.E, Stout, T.J, Stroud, R.M. | Deposit date: | 1996-10-22 | Release date: | 1997-04-21 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An essential role for water in an enzyme reaction mechanism: the crystal structure of the thymidylate synthase mutant E58Q. Biochemistry, 35, 1996
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5FQR
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![BU of 5fqr by Molmil](/molmil-images/mine/5fqr) | Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 2. | Descriptor: | (E)-3-[4-[(1R)-6-HYDROXY-2-ISOBUTYL-3,4-DIHYDRO-1H-ISOQUINOLIN-1-YL]PHENYL]PROP-2-ENOIC ACID, ESTROGEN RECEPTOR | Authors: | Scott, J.S, Bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D. | Deposit date: | 2015-12-14 | Release date: | 2016-02-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat. Acs Med.Chem.Lett., 7, 2016
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1QFG
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![BU of 1qfg by Molmil](/molmil-images/mine/1qfg) | E. COLI FERRIC HYDROXAMATE RECEPTOR (FHUA) | Descriptor: | 3-HYDROXY-TETRADECANOIC ACID, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, DIPHOSPHATE, ... | Authors: | Ferguson, A.D, Welte, W, Hofmann, E, Lindner, B, Holst, O, Coulton, J.W, Diederichs, K. | Deposit date: | 1999-04-10 | Release date: | 2000-07-26 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A conserved structural motif for lipopolysaccharide recognition by procaryotic and eucaryotic proteins. Structure Fold.Des., 8, 2000
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5FQV
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![BU of 5fqv by Molmil](/molmil-images/mine/5fqv) | Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 5. | Descriptor: | (E)-3-[4-(6-hydroxy-2-isobutyl-7-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR ALPHA | Authors: | Scott, J.S, bailey, A, Davies, R.D.M, Degorce, S.L, MacFaul, P.A, Gingell, H, Moss, T, Norman, R.A, Pink, J.H, Rabow, A.A, Roberts, B, Smith, P.D. | Deposit date: | 2015-12-14 | Release date: | 2016-02-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat. Acs Med.Chem.Lett., 7, 2016
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1I2Z
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![BU of 1i2z by Molmil](/molmil-images/mine/1i2z) | E. COLI ENOYL REDUCTASE IN COMPLEX WITH NAD AND BRL-12654 | Descriptor: | 4-(2-THIENYL)-1-(4-METHYLBENZYL)-1H-IMIDAZOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Heerding, D.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X. | Deposit date: | 2001-02-12 | Release date: | 2002-02-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 1,4-Disubstituted imidazoles are potential antibacterial agents functioning as inhibitors of enoyl acyl carrier protein
reductase (FabI). Bioorg.Med.Chem.Lett., 11, 2001
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7U48
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![BU of 7u48 by Molmil](/molmil-images/mine/7u48) | Clavulanic acid-CTX-M-15 | Descriptor: | (E)-5-hydroxy-3-oxo-N-(3-oxopropylidene)-L-norvaline, Beta-lactamase, GLYCEROL, ... | Authors: | Ahmadvand, P, Kang, C.H. | Deposit date: | 2022-02-28 | Release date: | 2022-05-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Characterization of Interactions between CTX-M-15 and Clavulanic Acid, Desfuroylceftiofur, Ceftiofur, Ampicillin, and Nitrocefin. Int J Mol Sci, 23, 2022
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2PJJ
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2PIC
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![BU of 2pic by Molmil](/molmil-images/mine/2pic) | |
6EHS
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![BU of 6ehs by Molmil](/molmil-images/mine/6ehs) | E. coli Hydrogenase-2 chemically reduced structure | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, DITHIONITE, FE3-S4 CLUSTER, ... | Authors: | Carr, S.B, Evans, R.M, Beaton, S.E, Armstrong, F.A. | Deposit date: | 2017-09-15 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The structure of hydrogenase-2 fromEscherichia coli: implications for H2-driven proton pumping. Biochem. J., 475, 2018
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4WWL
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![BU of 4wwl by Molmil](/molmil-images/mine/4wwl) | E. coli 5'-nucleotidase mutant I521C labeled with MTSL (intermediate form) | Descriptor: | CARBONATE ION, GLYCEROL, Protein UshA, ... | Authors: | Krug, U, Paithankar, K.S, Schultz-Heienbrok, R, Strater, N. | Deposit date: | 2014-11-11 | Release date: | 2014-11-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | E. coli 5'-nucleotidase mutant I521C labeled with MTSL (intermediate form) To Be Published
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6EHQ
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![BU of 6ehq by Molmil](/molmil-images/mine/6ehq) | E. coli Hydrogenase-2 (as isolated form). | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2 large chain, ... | Authors: | Carr, S.B, Beaton, S.E, Evans, R.M, Armstrong, F.A. | Deposit date: | 2017-09-14 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of hydrogenase-2 fromEscherichia coli: implications for H2-driven proton pumping. Biochem. J., 475, 2018
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4XK4
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![BU of 4xk4 by Molmil](/molmil-images/mine/4xk4) | E. coli transcriptional regulator RUTR with dihydrouracil | Descriptor: | DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE, HTH-type transcriptional regulator RutR | Authors: | Shumilin, I.A, Cooper, D.R, Shabalin, I.G, Grabowski, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-01-09 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | E. COLI TRANSCRIPTIONAL REGULATOR RUTR WITH DIHYDROURACIL to be published
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6GOS
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![BU of 6gos by Molmil](/molmil-images/mine/6gos) | E. coli Microcin synthetase McbBCD complex with pro-MccB17 bound | Descriptor: | 1,2-ETHANEDIOL, Bacteriocin microcin B17, CHLORIDE ION, ... | Authors: | Ghilarov, D, Stevenson, C.E.M, Travin, D.Y, Piskunova, J, Serebryakova, M, Maxwell, A, Lawson, D.M, Severinov, K. | Deposit date: | 2018-06-04 | Release date: | 2019-01-30 | Last modified: | 2019-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Architecture of Microcin B17 Synthetase: An Octameric Protein Complex Converting a Ribosomally Synthesized Peptide into a DNA Gyrase Poison. Mol. Cell, 73, 2019
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1KH7
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![BU of 1kh7 by Molmil](/molmil-images/mine/1kh7) | E. COLI ALKALINE PHOSPHATASE MUTANT (D153GD330N) | Descriptor: | MAGNESIUM ION, SULFATE ION, ZINC ION, ... | Authors: | Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E. | Deposit date: | 2001-11-29 | Release date: | 2002-03-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase. J.Mol.Biol., 316, 2002
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1KHL
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![BU of 1khl by Molmil](/molmil-images/mine/1khl) | E. COLI ALKALINE PHOSPHATASE MUTANT (D153HD330N) COMPLEX WITH PHOSPHATE | Descriptor: | Alkaline Phosphatase, PHOSPHATE ION, ZINC ION | Authors: | Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E, Menez, A, Boulain, J.C. | Deposit date: | 2001-11-30 | Release date: | 2002-03-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase. J.Mol.Biol., 316, 2002
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1KHN
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![BU of 1khn by Molmil](/molmil-images/mine/1khn) | E. COLI ALKALINE PHOSPHATASE MUTANT (D153HD330N) ZINC FORM | Descriptor: | Alkaline phosphatase, ZINC ION | Authors: | Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E, Menez, A, Boulain, J.C. | Deposit date: | 2001-11-30 | Release date: | 2002-03-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase. J.Mol.Biol., 316, 2002
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5MMO
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![BU of 5mmo by Molmil](/molmil-images/mine/5mmo) | E. coli DNA Gyrase B 24 kDa ATPase domain in complex with [3-(3-ethyl-ureido)-5-(pyridin-4-yl)-isoquinolin-8-yl-methyl]-carbamic acid prop-2-ynyl ester | Descriptor: | DNA gyrase subunit B, PHOSPHATE ION, prop-2-ynyl ~{N}-[[3-(ethylcarbamoylamino)-5-pyridin-4-yl-isoquinolin-8-yl]methyl]carbamate | Authors: | Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G. | Deposit date: | 2016-12-12 | Release date: | 2017-04-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents. J. Med. Chem., 60, 2017
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4Y27
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1KH4
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![BU of 1kh4 by Molmil](/molmil-images/mine/1kh4) | E. COLI ALKALINE PHOSPHATASE MUTANT (D330N) IN COMPLEX WITH PHOSPHATE | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E. | Deposit date: | 2001-11-29 | Release date: | 2002-03-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase. J.Mol.Biol., 316, 2002
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