1AVG
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3N29
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![BU of 3n29 by Molmil](/molmil-images/mine/3n29) | Crystal structure of carboxynorspermidine decarboxylase complexed with Norspermidine from Campylobacter jejuni | Descriptor: | Carboxynorspermidine decarboxylase, GLYCEROL, N-(3-aminopropyl)propane-1,3-diamine, ... | Authors: | Deng, X, Lee, J, Michael, A.J, Tomchick, D.R, Goldsmith, E.J, Phillips, M.A. | Deposit date: | 2010-05-17 | Release date: | 2010-06-09 | Last modified: | 2012-02-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Evolution of substrate specificity within a diverse family of beta/alpha-barrel-fold basic amino acid decarboxylases: X-ray structure determination of enzymes with specificity for L-arginine and carboxynorspermidine. J.Biol.Chem., 285, 2010
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4KCG
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![BU of 4kcg by Molmil](/molmil-images/mine/4kcg) | Human dCK C4S-S74E mutant in complex with UDP and the DI-39 inhibitor | Descriptor: | Deoxycytidine kinase, N-{2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide, URIDINE-5'-DIPHOSPHATE | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2013-04-24 | Release date: | 2014-03-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Co-targeting of convergent nucleotide biosynthetic pathways for leukemia eradication. J.Exp.Med., 211, 2014
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4H8S
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![BU of 4h8s by Molmil](/molmil-images/mine/4h8s) | Crystal structure of human APPL2BARPH domain | Descriptor: | DCC-interacting protein 13-beta | Authors: | Martin, J.L, King, G.J. | Deposit date: | 2012-09-23 | Release date: | 2012-10-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Membrane Curvature Protein Exhibits Interdomain Flexibility and Binds a Small GTPase. J.Biol.Chem., 287, 2012
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4K0X
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![BU of 4k0x by Molmil](/molmil-images/mine/4k0x) | X-ray Crystal Structure of OXA-23 from Acinetobacter baumannii | Descriptor: | BICARBONATE ION, Beta-lactamase | Authors: | Klinger, N.V, Ramey, M.E, Leonard, D.A, Powers, R.A. | Deposit date: | 2013-04-04 | Release date: | 2013-08-07 | Last modified: | 2013-10-23 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structures of the Class D Carbapenemases OXA-23 and OXA-146: Mechanistic Basis of Activity against Carbapenems, Extended-Spectrum Cephalosporins, and Aztreonam. Antimicrob.Agents Chemother., 57, 2013
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4K0W
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![BU of 4k0w by Molmil](/molmil-images/mine/4k0w) | X-ray crystal structure of OXA-23 A220 duplication clinical variant | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, Beta-lactamase, ... | Authors: | Kaitany, K.J, Klinger, N.V, Leonard, D.A, Powers, R.A. | Deposit date: | 2013-04-04 | Release date: | 2013-08-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structures of the Class D Carbapenemases OXA-23 and OXA-146: Mechanistic Basis of Activity against Carbapenems, Extended-Spectrum Cephalosporins, and Aztreonam. Antimicrob.Agents Chemother., 57, 2013
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4IXD
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![BU of 4ixd by Molmil](/molmil-images/mine/4ixd) | X-ray structure of lfa-1 i-domain in complex with ibe-667 at 1.8a resolution | Descriptor: | 4-(3-{4-[(3-aminopropyl)carbamoyl]phenyl}-1H-indazol-1-yl)-N-methylbenzamide, Integrin alpha-L, MAGNESIUM ION | Authors: | Kallen, J. | Deposit date: | 2013-01-25 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification and x-ray structure based investigation of an ICAM-1 binding enhancing small molecule activator of LFA-1 To be Published, 2013
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4IVN
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![BU of 4ivn by Molmil](/molmil-images/mine/4ivn) | The Vibrio vulnificus NanR protein complexed with ManNAc-6P | Descriptor: | 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose, Transcriptional regulator | Authors: | Hwang, J, Kim, M.H. | Deposit date: | 2013-01-23 | Release date: | 2013-07-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into the regulation of sialic acid catabolism by the Vibrio vulnificus transcriptional repressor NanR Proc.Natl.Acad.Sci.USA, 110, 2013
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4MB9
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![BU of 4mb9 by Molmil](/molmil-images/mine/4mb9) | Structure of Streptococcus pneumonia ParE in complex with AZ13102335 | Descriptor: | 1-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3R)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea, DNA topoisomerase IV, B subunit, ... | Authors: | Ogg, D, Tucker, J. | Deposit date: | 2013-08-19 | Release date: | 2013-10-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B. J.Med.Chem., 56, 2013
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4MBC
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![BU of 4mbc by Molmil](/molmil-images/mine/4mbc) | Structure of Streptococcus pneumonia ParE in complex with AZ13053807 | Descriptor: | 1-{5-[2-(morpholin-4-yl)ethoxy]-6-(pyridin-3-yl)[1,3]thiazolo[5,4-b]pyridin-2-yl}-3-prop-2-en-1-ylurea, DNA topoisomerase IV, B subunit | Authors: | Ogg, D, Tucker, J. | Deposit date: | 2013-08-19 | Release date: | 2013-10-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B. J.Med.Chem., 56, 2013
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4LZS
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![BU of 4lzs by Molmil](/molmil-images/mine/4lzs) | Crystal Structure of BRD4(1) bound to inhibitor XD46 | Descriptor: | 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Huegle, M, Einsle, O, Gerhardt, S. | Deposit date: | 2013-08-01 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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4MKH
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![BU of 4mkh by Molmil](/molmil-images/mine/4mkh) | Crystal structure of a stable adenylate kinase variant AKv18 | Descriptor: | 1,2-ETHANEDIOL, Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ... | Authors: | Moon, S, Bae, E. | Deposit date: | 2013-09-05 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | An integrated approach for thermal stabilization of a mesophilic adenylate kinase. Proteins, 82, 2014
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4L5B
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![BU of 4l5b by Molmil](/molmil-images/mine/4l5b) | Human dCK C4S-S74E mutant in complex with UDP and the DI-43 inhibitor | Descriptor: | 1-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2013-06-10 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography. J.Med.Chem., 56, 2013
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4NQI
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![BU of 4nqi by Molmil](/molmil-images/mine/4nqi) | Structure of the N-terminal I-BAR domain (1-259) of D.Discoideum IBARa | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, SH3 domain-containing protein | Authors: | Witte, G, Faix, J, Runge-Wollmann, P. | Deposit date: | 2013-11-25 | Release date: | 2014-02-05 | Last modified: | 2014-04-02 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | The inverse BAR domain protein IBARa drives membrane remodeling to control osmoregulation, phagocytosis and cytokinesis. J.Cell.Sci., 127, 2014
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3P2O
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![BU of 3p2o by Molmil](/molmil-images/mine/3p2o) | Crystal Structure of FolD Bifunctional Protein from Campylobacter jejuni | Descriptor: | Bifunctional protein folD, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Kim, Y, Zhang, R, Makowska-Grzyska, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-10-03 | Release date: | 2010-10-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.227 Å) | Cite: | Crystal Structure of FolD Bifunctional Protein from To be Published
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4LYS
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![BU of 4lys by Molmil](/molmil-images/mine/4lys) | Crystal Structure of BRD4(1) bound to Colchiceine | Descriptor: | Bromodomain-containing protein 4, N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide, SODIUM ION | Authors: | Wohlwend, D, Gerhardt, S, Einsle, O. | Deposit date: | 2013-07-31 | Release date: | 2014-01-15 | Last modified: | 2014-01-29 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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4O9W
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4MTX
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4MOT
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![BU of 4mot by Molmil](/molmil-images/mine/4mot) | Structure of Streptococcus pneumonia pare in complex with AZ13072886 | Descriptor: | 1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea, Topoisomerase IV subunit B | Authors: | Ogg, D, Boriack-Sjodin, P.A. | Deposit date: | 2013-09-12 | Release date: | 2013-11-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy. Bioorg.Med.Chem.Lett., 24, 2014
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7ICD
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![BU of 7icd by Molmil](/molmil-images/mine/7icd) | REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE | Descriptor: | ISOCITRATE DEHYDROGENASE | Authors: | Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M. | Deposit date: | 1990-05-30 | Release date: | 1991-10-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Regulation of an enzyme by phosphorylation at the active site. Science, 249, 1990
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7HBI
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![BU of 7hbi by Molmil](/molmil-images/mine/7hbi) | SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72V, CO-LIGANDED FORM | Descriptor: | CARBON MONOXIDE, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Royer Junior, W.E. | Deposit date: | 1998-06-25 | Release date: | 1998-11-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity. J.Mol.Biol., 284, 1998
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4MT8
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![BU of 4mt8 by Molmil](/molmil-images/mine/4mt8) | |
2N6A
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3GOJ
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2GWC
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![BU of 2gwc by Molmil](/molmil-images/mine/2gwc) | Crystal structure of plant glutamate cysteine ligase in complex with a transition state analogue | Descriptor: | (2S)-2-amino-4-(S-butylsulfonimidoyl)butanoic acid, Glutamate cysteine ligase, MAGNESIUM ION | Authors: | Hothorn, M, Wachter, A, Gromes, R, Stuwe, T, Rausch, T, Scheffzek, K. | Deposit date: | 2006-05-04 | Release date: | 2006-06-20 | Last modified: | 2018-10-03 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural basis for the redox control of plant glutamate cysteine ligase. J.Biol.Chem., 281, 2006
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