6SV5
 
 | | Amicoumacin kinase AmiN in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Phosphotransferase enzyme family protein, amicoumacin kinase | | Authors: | Bourenkov, G.P, Mokrushina, Y.A, Terekhov, S.S, Smirnov, I.V, Gabibov, A.G, Altman, S. | | Deposit date: | 2019-09-17 | | Release date: | 2020-07-22 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A kinase bioscavenger provides antibiotic resistance by extremely tight substrate binding.
Sci Adv, 6, 2020
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6SUI
 | | AMICOUMACIN KINASE AMIN | | Descriptor: | PENTAETHYLENE GLYCOL, Phosphotransferase enzyme family protein | | Authors: | Bourenkov, G.P, Mokrushina, Y.A, Terekhov, S.S, Smirnov, I.V, Gabibov, A.G, Altman, S. | | Deposit date: | 2019-09-14 | | Release date: | 2020-07-22 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A kinase bioscavenger provides antibiotic resistance by extremely tight substrate binding.
Sci Adv, 6, 2020
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6C9W
 | | Crystal Structure of a ligand bound LacY/Nanobody Complex | | Descriptor: | 4-nitrophenyl alpha-D-galactopyranoside, Lactose permease, Nanobody9047, ... | | Authors: | Kumar, H, Finer-Moore, J.S, Jiang, X, Smirnova, I, Kasho, V, Pardon, E, Steyaert, J, Kaback, H.R, Stroud, R.M. | | Deposit date: | 2018-01-29 | | Release date: | 2018-08-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of a ligand-bound LacY-Nanobody Complex.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5TJD
 | | Computer-based rational design of improved functionality for antibody catalysts toward organophosphorus compounds | | Descriptor: | FAB A.17 L47K mutant HEAVY CHAIN, FAB A.17 L47K mutant Light Chain | | Authors: | Chatziefthimiou, S, Stepanova, A, Smirnov, I, Gabibov, A, Wilmanns, M. | | Deposit date: | 2016-10-04 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.
Proc.Natl.Acad.Sci.USA, 2020
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5ADP
 | | Crystal structure of the A.17 antibody FAB fragment - Light chain S35R mutant | | Descriptor: | FAB A.17 | | Authors: | Chatziefthimiou, S.D, Smirnov, I.V, Golovin, A.V, Stepanova, A.V, Peng, Y, Zolotareva, O.I, Belogurov, A.A, Ponomarenko, N.A, Blackburn, G.M, Gabibov, A.A, Lerner, R, Wilmanns, M. | | Deposit date: | 2015-08-21 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Robotic Qm/Mm-Driven Maturation of Antibody Combining Sites.
Sci.Adv., 2, 2016
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5ADO
 | | Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - Light chain S35R mutant | | Descriptor: | DIETHYL PHOSPHONATE, FAB A.17 | | Authors: | Chatziefthimiou, S.D, Smirnov, I.V, Golovin, A.V, Stepanova, A.V, Peng, Y, Zolotareva, O.I, Belogurov, A.A, Ponomarenko, N.A, Blackburn, G.M, Gabibov, A.A, Lerner, R, Wilmanns, M. | | Deposit date: | 2015-08-21 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Robotic Qm/Mm-Driven Maturation of Antibody Combining Sites.
Sci.Adv., 2, 2016
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3OSG
 | | The structure of protozoan parasite Trichomonas vaginalis Myb2 in complex with MRE-1-12 DNA | | Descriptor: | 5'-D(*AP*AP*AP*TP*AP*TP*CP*GP*TP*TP*AP*T)-3', 5'-D(*AP*TP*AP*AP*CP*GP*AP*TP*AP*TP*TP*T)-3', MYB21 | | Authors: | Jiang, I, Tsai, C.K, Chen, S.C, Wang, S.H, Amiraslanov, I, Chang, C.F, Wu, W.J, Tai, J.H, Liaw, Y.C, Huang, T.H. | | Deposit date: | 2010-09-09 | | Release date: | 2011-08-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Molecular basis of the recognition of the ap65-1 gene transcription promoter elements by a Myb protein from the protozoan parasite Trichomonas vaginalis.
Nucleic Acids Res., 39, 2011
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3OSF
 | | The structure of protozoan parasite Trichomonas vaginalis Myb2 in complex with MRE-2f-13 DNA | | Descriptor: | 5'-D(*CP*AP*AP*GP*AP*CP*GP*AP*TP*AP*CP*AP*G)-3', 5'-D(*CP*TP*GP*TP*AP*TP*CP*GP*TP*CP*TP*TP*G)-3', ISOPROPYL ALCOHOL, ... | | Authors: | Jiang, I, Tsai, C.K, Chen, S.C, Wang, S.H, Amiraslanov, I, Chang, C.F, Wu, W.J, Tai, J.H, Liaw, Y.C, Huang, T.H. | | Deposit date: | 2010-09-09 | | Release date: | 2011-08-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.032 Å) | | Cite: | Molecular basis of the recognition of the ap65-1 gene transcription promoter elements by a Myb protein from the protozoan parasite Trichomonas vaginalis.
Nucleic Acids Res., 39, 2011
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1M07
 | | RESIDUES INVOLVED IN THE CATALYSIS AND BASE SPECIFICITY OF CYTOTOXIC RIBONUCLEASE FROM BULLFROG (RANA CATESBEIANA) | | Descriptor: | 5'-D(*AP*CP*GP*A)-3', Ribonuclease | | Authors: | Leu, Y.-J, Chern, S.-S, Wang, S.-C, Hsiao, Y.-Y, Amiraslanov, I, Liaw, Y.-C, Liao, Y.-D. | | Deposit date: | 2002-06-12 | | Release date: | 2003-01-21 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Residues involved in the catalysis, base specificity, and cytotoxicity of ribonuclease from Rana catesbeiana based upon mutagenesis and X-ray crystallography
J.Biol.Chem., 278, 2003
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2XZA
 | | Crystal Structure of recombinant A.17 antibody FAB fragment | | Descriptor: | FAB A.17 HEAVY CHAIN, FAB A.17 LIGHT CHAIN | | Authors: | Carletti, E, Nachon, F, Nicolet, Y, Masson, P, Kurkova, I, Smirnov, I, Friboulet, A, Tramontano, A, Gabibov, A. | | Deposit date: | 2010-11-24 | | Release date: | 2011-09-21 | | Last modified: | 2020-03-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Reactibodies Generated by Kinetic Selection Couple Chemical Reactivity with Favorable Protein Dynamics.
Proc.Natl.Acad.Sci.USA, 108, 2011
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2UYE
 | | Double mutant Y110S,F111V DntR from Burkholderia sp. strain DNT in complex with thiocyanate | | Descriptor: | GLYCEROL, REGULATORY PROTEIN, THIOCYANATE ION | | Authors: | Lonneborg, R, Smirova, I, Dian, C, leonard, G.A, McSweeney, S, Brzezinski, P. | | Deposit date: | 2007-04-04 | | Release date: | 2007-08-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | In Vivo and in Vitro Investigation of Transcriptional Regulation by Dntr.
J.Mol.Biol., 372, 2007
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2XZC
 | | Crystal Structure of phosphonate-modified recombinant A.17 antibody FAB fragment | | Descriptor: | 8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL PHENYLPHOSPHONATE, CHLORIDE ION, FAB A.17 HEAVY CHAIN, ... | | Authors: | Carletti, E, Nachon, F, Nicolet, Y, Masson, P, Kurkova, I, Smirnov, I, Friboulet, A, Tramontano, A, Gabibov, A. | | Deposit date: | 2010-11-24 | | Release date: | 2011-09-21 | | Last modified: | 2020-03-11 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Reactibodies Generated by Kinetic Selection Couple Chemical Reactivity with Favorable Protein Dynamics.
Proc.Natl.Acad.Sci.USA, 108, 2011
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2UYF
 | | Single mutant F111L DntR from Burkholderia sp. strain DNT in complex with thiocyanate | | Descriptor: | ACETATE ION, GLYCEROL, REGULATORY PROTEIN, ... | | Authors: | Lonneborg, R, Smirova, I, Dian, C, Leonard, G.A, Mcsweeney, S, Brzezinski, P. | | Deposit date: | 2007-04-04 | | Release date: | 2007-08-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | In Vivo and in Vitro Investigation of Transcriptional Regulation by Dntr.
J.Mol.Biol., 372, 2007
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2Y84
 | | DntR Inducer Binding Domain | | Descriptor: | GLYCEROL, LYSR-TYPE REGULATORY PROTEIN | | Authors: | Devesse, L, Smirnova, I, Lonneborg, R, Kapp, U, Brzezinski, P, Leonard, G.A, Dian, C. | | Deposit date: | 2011-02-03 | | Release date: | 2011-07-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structures of Dntr Inducer Binding Domains in Complex with Salicylate Offer Insights Into the Activation of Lysr-Type Transcriptional Regulators.
Mol.Microbiol., 81, 2011
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2Y7W
 | | DntR Inducer Binding Domain | | Descriptor: | 2-HYDROXYBENZOIC ACID, LYSR-TYPE REGULATORY PROTEIN, TETRAETHYLENE GLYCOL | | Authors: | Devesse, L, Smirnova, I, Lonneborg, R, Kapp, U, Brzezinski, P, Leonard, G.A, Dian, C. | | Deposit date: | 2011-02-02 | | Release date: | 2011-07-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Crystal Structures of Dntr Inducer Binding Domains in Complex with Salicylate Offer Insights Into the Activation of Lysr-Type Transcriptional Regulators.
Mol.Microbiol., 81, 2011
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2Y7K
 | | DntR Inducer Binding Domain in Complex with Salicylate. Monoclinic crystal form | | Descriptor: | 2-HYDROXYBENZOIC ACID, LYSR-TYPE REGULATORY PROTEIN | | Authors: | Devesse, L, Smirnova, I, Lonneborg, R, Kapp, U, Brzezinski, P, Leonard, G.A, Dian, C. | | Deposit date: | 2011-01-31 | | Release date: | 2011-07-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structures of Dntr Inducer Binding Domains in Complex with Salicylate Offer Insights Into the Activation of Lysr-Type Transcriptional Regulators.
Mol.Microbiol., 81, 2011
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4ADM
 | | Crystal structure of Rv1098c in complex with meso-tartrate | | Descriptor: | FUMARATE HYDRATASE CLASS II, GLYCEROL, S,R MESO-TARTARIC ACID | | Authors: | Mechaly, A.E, Haouz, A, Miras, I, Weber, P, Shepard, W, Cole, S, Alzari, P.M, Bellinzoni, M. | | Deposit date: | 2011-12-27 | | Release date: | 2012-04-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Conformational Changes Upon Ligand Binding in the Essential Class II Fumarase Rv1098C from Mycobacterium Tuberculosis.
FEBS Lett., 586, 2012
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1Q7G
 | | Homoserine Dehydrogenase in complex with suicide inhibitor complex NAD-5-hydroxy-4-Oxonorvaline | | Descriptor: | Homoserine dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE-5-HYDROXY-4-OXONORVALINE, SODIUM ION | | Authors: | Jacques, S.L, Mirza, I.A, Ejim, L, Koteva, K, Hughes, D.W, Green, K, Kinach, R, Honek, J.F, Lai, H.K, Berghuis, A.M, Wright, G.D. | | Deposit date: | 2003-08-18 | | Release date: | 2003-10-21 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Enzyme assisted suicide: Molecular basis for the antifungal activity of 5-hydroxy-4-oxonorvaline by potent inhibition of homoserine dehydrogenase
Chem.Biol., 10, 2003
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4ADL
 | | Crystal structures of Rv1098c in complex with malate | | Descriptor: | (2S)-2-hydroxybutanedioic acid, FUMARATE HYDRATASE CLASS II | | Authors: | Mechaly, A.E, Haouz, A, Miras, I, Weber, P, Shepard, W, Cole, S, Alzari, P.M, Bellinzoni, M. | | Deposit date: | 2011-12-26 | | Release date: | 2012-04-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Conformational Changes Upon Ligand Binding in the Essential Class II Fumarase Rv1098C from Mycobacterium Tuberculosis.
FEBS Lett., 586, 2012
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1PV7
 | | Crystal structure of lactose permease with TDG | | Descriptor: | Lactose permease, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose | | Authors: | Abramson, J, Smirnova, I, Kasho, V, Verner, G, Kaback, H.R, Iwata, S. | | Deposit date: | 2003-06-26 | | Release date: | 2003-08-12 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structure and mechanism of the lactose permease of Escherichia coli
SCIENCE, 301, 2003
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2V7S
 | | Crystal structure of the putative lipoprotein LppA from Mycobacterium tuberculosis | | Descriptor: | GLYCEROL, PROBABLE CONSERVED LIPOPROTEIN LPPA | | Authors: | Grana, M, Miras, I, Haouz, A, Winter, N, Buschiazzo, A, Bellinzoni, M, Alzari, P.M. | | Deposit date: | 2007-08-01 | | Release date: | 2008-08-26 | | Last modified: | 2011-09-28 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal Structure of Mycobacterium Tuberculosis Lppa, a Lipoprotein Confined to Pathogenic Mycobacteria.
Proteins, 78, 2010
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2QLK
 | | Adenovirus AD35 fibre head | | Descriptor: | Fiber, GLYCEROL | | Authors: | Liaw, Y.-C, Amiraslanov, I, Wang, H, Lieber, A. | | Deposit date: | 2007-07-13 | | Release date: | 2008-02-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Identification of CD46 binding sites within the adenovirus serotype 35 fiber knob
J.Virol., 81, 2007
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1PV6
 | | Crystal structure of lactose permease | | Descriptor: | Lactose permease | | Authors: | Abramson, J, Smirnova, I, Kasho, V, Verner, G, Kaback, H.R, Iwata, S. | | Deposit date: | 2003-06-26 | | Release date: | 2003-08-12 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure and mechanism of the lactose permease of Escherichia coli
SCIENCE, 301, 2003
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2UYQ
 | | Crystal structure of ML2640c from Mycobacterium leprae in complex with S-adenosylmethionine | | Descriptor: | HYPOTHETICAL PROTEIN ML2640, S-ADENOSYLMETHIONINE | | Authors: | Grana, M, Buschiazzo, A, Wehenkel, A, Haouz, A, Miras, I, Shepard, W, Alzari, P.M. | | Deposit date: | 2007-04-11 | | Release date: | 2007-08-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Crystal Structure of M. Leprae Ml2640C Defines a Large Family of Putative S-Adenosylmethionine- Dependent Methyltransferases in Mycobacteria.
Protein Sci., 16, 2007
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2UYO
 | | Crystal structure of ML2640c from Mycobacterium leprae in an hexagonal crystal form | | Descriptor: | HYPOTHETICAL PROTEIN ML2640 | | Authors: | Grana, M, Buschiazzo, A, Wehenkel, A, Haouz, A, Miras, I, Shepard, W, Alzari, P.M. | | Deposit date: | 2007-04-11 | | Release date: | 2007-08-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of M. Leprae Ml2640C Defines a Large Family of Putative S-Adenosylmethionine- Dependent Methyltransferases in Mycobacteria.
Protein Sci., 16, 2007
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