2PWY
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![BU of 2pwy by Molmil](/molmil-images/mine/2pwy) | Crystal Structure of a m1A58 tRNA methyltransferase | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, tRNA (adenine-N(1)-)-methyltransferase | Authors: | Barraud, P, Golinelli-Pimpaneau, B, Tisne, C. | Deposit date: | 2007-05-14 | Release date: | 2008-02-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of Thermus thermophilus tRNA m(1)A(58) Methyltransferase and Biophysical Characterization of Its Interaction with tRNA. J.Mol.Biol., 377, 2008
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4ZJ2
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![BU of 4zj2 by Molmil](/molmil-images/mine/4zj2) | Crystal Structure of p-acrylamido-phenylalanine modified TEM1 beta-lactamase from Escherichia coli :E166N mutant | Descriptor: | Beta-lactamase TEM | Authors: | Xiao, H, Nasertorabi, F, Choi, S, Han, G.W, Reed, S.A, Stevens, C.S, Schultz, P.G. | Deposit date: | 2015-04-28 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Exploring the potential impact of an expanded genetic code on protein function. Proc.Natl.Acad.Sci.USA, 112, 2015
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4ZQS
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![BU of 4zqs by Molmil](/molmil-images/mine/4zqs) | New compact conformation of linear Ub2 structure | Descriptor: | ubiquitin | Authors: | Thach, T.T, Shin, D, Han, S, Lee, S. | Deposit date: | 2015-05-11 | Release date: | 2016-04-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.804 Å) | Cite: | New conformations of linear polyubiquitin chains from crystallographic and solution-scattering studies expand the conformational space of polyubiquitin. Acta Crystallogr D Struct Biol, 72, 2016
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3BZJ
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![BU of 3bzj by Molmil](/molmil-images/mine/3bzj) | UVDE K229L | Descriptor: | MANGANESE (II) ION, SULFATE ION, UV endonuclease | Authors: | Meulenbroek, E.M, Paspaleva, K, Thomassen, E.A.J, Abrahams, J.P, Goosen, N, Pannu, N.S. | Deposit date: | 2008-01-18 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Involvement of a carboxylated lysine in UV damage endonuclease Protein Sci., 18, 2009
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3C0Q
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![BU of 3c0q by Molmil](/molmil-images/mine/3c0q) | UVDE E175A | Descriptor: | MANGANESE (II) ION, SULFATE ION, UV endonuclease | Authors: | Meulenbroek, E.M, Paspaleva, K, Thomassen, E.A.J, Abrahams, J.P, Goosen, N, Pannu, N.S. | Deposit date: | 2008-01-21 | Release date: | 2008-12-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Involvement of a carboxylated lysine in UV damage endonuclease Protein Sci., 18, 2009
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7Y99
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![BU of 7y99 by Molmil](/molmil-images/mine/7y99) | Crystal Structure Analysis of cp2 bound BCLxl | Descriptor: | Bcl-2-like protein 1, CP2 peptide, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | Deposit date: | 2022-06-24 | Release date: | 2023-09-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy. Nat Commun, 15, 2024
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1URW
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![BU of 1urw by Molmil](/molmil-images/mine/1urw) | CDK2 IN COMPLEX WITH AN IMIDAZO[1,2-b]PYRIDAZINE | Descriptor: | 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-, CELL DIVISION PROTEIN KINASE 2 | Authors: | Byth, K.F, Cooper, N, Culshaw, J.D, Heaton, D.W, Oakes, S.E, Minshull, C.A, Norman, R.A, Pauptit, R.A, Tucker, J.A, Breed, J, Pannifer, A, Rowsell, S, Stanway, J.J, Valentine, A.L, Thomas, A.P. | Deposit date: | 2003-11-11 | Release date: | 2004-04-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Imidazo[1,2-B]Pyridazines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Bioorg.Med.Chem.Lett., 14, 2004
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4OH5
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![BU of 4oh5 by Molmil](/molmil-images/mine/4oh5) | Crystal structure of T877A-AR-LBD bound with co-regulator peptide | Descriptor: | Androgen receptor, HYDROXYFLUTAMIDE, SULFATE ION, ... | Authors: | Liu, J.S, Hsu, C.L, Wu, W.G. | Deposit date: | 2014-01-17 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis. Mol Oncol, 8, 2014
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4OHA
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![BU of 4oha by Molmil](/molmil-images/mine/4oha) | Crystal structure of T877A-AR-LBD bound with co-regulator peptide | Descriptor: | Androgen receptor, HYDROXYFLUTAMIDE, SULFATE ION, ... | Authors: | Liu, J.S, Hsu, C.L, Wu, W.G. | Deposit date: | 2014-01-17 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis. Mol Oncol, 8, 2014
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4ZJ3
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![BU of 4zj3 by Molmil](/molmil-images/mine/4zj3) | Crystal structure of cephalexin bound acyl-enzyme intermediate of Val216AcrF mutant TEM1 beta-lactamase from Escherichia coli: E166N and V216AcrF mutant. | Descriptor: | Beta-lactamase TEM | Authors: | Xiao, H, Nasertorabi, F, Choi, S, Han, G.W, Reed, S.A, Stevens, R.C, Schultz, P.G. | Deposit date: | 2015-04-29 | Release date: | 2015-05-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Exploring the potential impact of an expanded genetic code on protein function. Proc.Natl.Acad.Sci.USA, 112, 2015
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4OGH
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![BU of 4ogh by Molmil](/molmil-images/mine/4ogh) | Crystal structure of T877A-AR-LBD | Descriptor: | Androgen receptor, HYDROXYFLUTAMIDE, SULFATE ION | Authors: | Liu, J.S, Hsu, C.L, Wu, W.G. | Deposit date: | 2014-01-16 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis. Mol Oncol, 8, 2014
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2Q09
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![BU of 2q09 by Molmil](/molmil-images/mine/2q09) | Crystal structure of Imidazolonepropionase from environmental sample with bound inhibitor 3-(2,5-Dioxo-imidazolidin-4-yl)-propionic acid | Descriptor: | 3-[(4S)-2,5-DIOXOIMIDAZOLIDIN-4-YL]PROPANOIC ACID, FE (III) ION, Imidazolonepropionase | Authors: | Tyagi, R, Eswaramoorthy, S, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-05-21 | Release date: | 2007-06-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | A common catalytic mechanism for proteins of the HutI family. Biochemistry, 47, 2008
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2Q6H
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![BU of 2q6h by Molmil](/molmil-images/mine/2q6h) | Crystal Structure Analysis of LeuT complexed with L-leucine, sodium, and clomipramine | Descriptor: | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, LEUCINE, SODIUM ION, ... | Authors: | Singh, S.K, Yamashita, A, Gouaux, E. | Deposit date: | 2007-06-05 | Release date: | 2007-08-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Antidepressant binding site in a bacterial homologue of neurotransmitter transporters. Nature, 448, 2007
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1U71
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![BU of 1u71 by Molmil](/molmil-images/mine/1u71) | Understanding the Role of Leu22 Variants in Methotrexate Resistance: Comparison of Wild-type and Leu22Arg Variant Mouse and Human Dihydrofolate Reductase Ternary Crystal Complexes with Methotrexate and NADPH | Descriptor: | 6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE, Dihydrofolate reductase, SULFATE ION | Authors: | Cody, V, Luft, J.R, Pangborn, W. | Deposit date: | 2004-08-02 | Release date: | 2005-02-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Understanding the role of Leu22 variants in methotrexate resistance: comparison of wild-type and Leu22Arg variant mouse and human dihydrofolate reductase ternary crystal complexes with methotrexate and NADPH. Acta Crystallogr.,Sect.D, 61, 2005
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2XR7
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![BU of 2xr7 by Molmil](/molmil-images/mine/2xr7) | Crystal Structure of Nicotiana tabacum malonyltransferase (NtMat1) complexed with malonyl-coa | Descriptor: | MALONYL-COENZYME A, MALONYLTRANSFERASE | Authors: | Manjasetty, B.A, Yu, X.H, Panjikar, S, Taguchi, G, Chance, M.R, Liu, C.J. | Deposit date: | 2010-09-11 | Release date: | 2011-09-21 | Last modified: | 2012-09-05 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Basis for Modification of Flavonol and Naphthol Glucoconjugates by Nicotiana Tabacum Malonyltransferase (Ntmat1). Planta, 236, 2012
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7YB7
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![BU of 7yb7 by Molmil](/molmil-images/mine/7yb7) | anti-apoptotic protein BCL-2-M12 | Descriptor: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide, cp2 peptide | Authors: | Li, F.W, Liu, C, Wu, D.L. | Deposit date: | 2022-06-29 | Release date: | 2023-11-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy. Nat Commun, 15, 2024
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3AKA
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![BU of 3aka by Molmil](/molmil-images/mine/3aka) | Structural basis for prokaryotic calcium-mediated regulation by a Streptomyces coelicolor calcium-binding protein | Descriptor: | CALCIUM ION, Putative calcium binding protein | Authors: | Zhao, X, Pang, H, Wang, S, Zhou, W, Yang, K, Bartlam, M. | Deposit date: | 2010-07-09 | Release date: | 2011-01-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for prokaryotic calciummediated regulation by a Streptomyces coelicolor calcium binding protein Protein Cell, 1, 2010
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2V69
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![BU of 2v69 by Molmil](/molmil-images/mine/2v69) | Crystal structure of Chlamydomonas reinhardtii Rubisco with a large- subunit mutation D473E | Descriptor: | 1,2-ETHANEDIOL, 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Karkehabadi, S, Satagopan, S, Taylor, T.C, Spreitzer, R.J, Andersson, I. | Deposit date: | 2007-07-14 | Release date: | 2007-07-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Analysis of Altered Large-Subunit Loop-6-Carboxy-Terminus Interactions that Influence Catalytic Efficiency and Co2-O2 Specificity of Ribulose-1,5-Bisphosphate Carboxylase Oxygenase Biochemistry, 46, 2007
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6I45
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![BU of 6i45 by Molmil](/molmil-images/mine/6i45) | Crystal structure of I13V/I62V/V77I South African HIV-1 subtype C protease containing a D25A mutation | Descriptor: | DI(HYDROXYETHYL)ETHER, Protease, SODIUM ION | Authors: | Sherry, D, Pandian, R, Achilonu, I.A, Dirr, H.W, Sayed, Y. | Deposit date: | 2018-11-09 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Non-active site mutations in the HIV protease: Diminished drug binding affinity is achieved through modulating the hydrophobic sliding mechanism. Int.J.Biol.Macromol., 217, 2022
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6I4A
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![BU of 6i4a by Molmil](/molmil-images/mine/6i4a) | Structure of P. aeruginosa LpxC with compound 18d: (2R)-N-Hydroxy-4-(6-((1-(hydroxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-2-methyl-2-(methylsulfonyl)butanamide | Descriptor: | (2~{R})-4-[6-[4-[1-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | Deposit date: | 2018-11-09 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria. J.Med.Chem., 63, 2020
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4N71
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![BU of 4n71 by Molmil](/molmil-images/mine/4n71) | X-Ray Crystal Structure of 2-amino-1-hydroxyethylphosphonate-bound PhnZ | Descriptor: | FE (III) ION, Predicted HD phosphohydrolase PhnZ, [(1R)-2-amino-1-hydroxyethyl]phosphonic acid | Authors: | Woersdoerfer, B, Lingaraju, M, Yennawar, N, Boal, A.K, Krebs, C, Bollinger Jr, J.M, Pandelia, M.-E. | Deposit date: | 2013-10-14 | Release date: | 2013-11-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.984 Å) | Cite: | Organophosphonate-degrading PhnZ reveals an emerging family of HD domain mixed-valent diiron oxygenases. Proc.Natl.Acad.Sci.USA, 110, 2013
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3CD2
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![BU of 3cd2 by Molmil](/molmil-images/mine/3cd2) | LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+ | Descriptor: | DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Galitsky, N, Rak, D, Luft, J, Pangborn, W, Queener, S. | Deposit date: | 1999-03-16 | Release date: | 2000-03-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+. Biochemistry, 38, 1999
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7Z0Y
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![BU of 7z0y by Molmil](/molmil-images/mine/7z0y) | THSC20.HVTR04 Fab bound to SARS-CoV-2 Receptor Binding Domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Spike protein S1, ... | Authors: | Wibmer, C.K. | Deposit date: | 2022-02-23 | Release date: | 2022-04-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant. Plos Pathog., 18, 2022
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7Z0X
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![BU of 7z0x by Molmil](/molmil-images/mine/7z0x) | THSC20.HVTR26 Fab bound to SARS-CoV-2 Receptor Binding Domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Spike protein S1, ... | Authors: | Wibmer, C.K. | Deposit date: | 2022-02-23 | Release date: | 2022-04-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant. Plos Pathog., 18, 2022
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6I48
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![BU of 6i48 by Molmil](/molmil-images/mine/6i48) | Structure of P. aeruginosa LpxC with compound 12: (2R)-4-(6-(2-Fluoro-4-methoxyphenyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | Descriptor: | (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, 1,2-ETHANEDIOL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | Deposit date: | 2018-11-09 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.196 Å) | Cite: | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria. J.Med.Chem., 63, 2020
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