1UTB
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![BU of 1utb by Molmil](/molmil-images/mine/1utb) | DntR from Burkholderia sp. strain DNT | Descriptor: | ACETATE ION, GLYCEROL, LYSR-TYPE REGULATORY PROTEIN | Authors: | Smirnova, I.A, Dian, C, Leonard, G.A, McSweeney, S, Birse, D, Brzezinski, P. | Deposit date: | 2003-12-05 | Release date: | 2004-07-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Development of a Bacterial Biosensor for Nitrotoluenes: The Crystal Structure of the Transcriptional Regulator Dntr J.Mol.Biol., 340, 2004
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1UTH
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![BU of 1uth by Molmil](/molmil-images/mine/1uth) | DntR from Burkholderia sp. strain DNT in complex with Thiocyanate | Descriptor: | LYSR-TYPE REGULATORY PROTEIN, THIOCYANATE ION | Authors: | Smirnova, I.A, Dian, C, Leonard, G.A, McSweeney, S, Birse, D, Brzezinski, P. | Deposit date: | 2003-12-09 | Release date: | 2004-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Development of a Bacterial Biosensor for Nitrotoluenes: The Crystal Structure of the Transcriptional Regulator Dntr J.Mol.Biol., 340, 2004
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3ZL4
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![BU of 3zl4 by Molmil](/molmil-images/mine/3zl4) | Antibody structural organization: Role of kappa - lambda chain constant domain switch in catalytic functionality | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, A17 ANTIBODY FAB FRAGMENT HEAVY CHAIN, A17 ANTIBODY FAB FRAGMENT LAMBDA LIGHT CHAIN | Authors: | Chatziefthimiou, S.D, Ponomarenko, N.A, Kurkova, I.N, Smirnov, A.V, Smirnov, I.V, Lamzin, V.S, Gabibov, A.G, Wilmanns, M. | Deposit date: | 2013-01-28 | Release date: | 2014-02-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Role of Kappa>Lambda Light-Chain Constant-Domain Switch in the Structure and Functionality of A17 Reactibody Acta Crystallogr.,Sect.D, 70, 2014
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2XZA
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![BU of 2xza by Molmil](/molmil-images/mine/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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2XZC
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![BU of 2xzc by Molmil](/molmil-images/mine/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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5ADP
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![BU of 5adp by Molmil](/molmil-images/mine/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
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![BU of 5ado by Molmil](/molmil-images/mine/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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5TJD
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![BU of 5tjd by Molmil](/molmil-images/mine/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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6Y1L
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![BU of 6y1l by Molmil](/molmil-images/mine/6y1l) | Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - L47R mutant | Descriptor: | DIETHYL PHOSPHONATE, FAB A.17 L47R mutant HEAVY CHAIN, FAB A.17 L47R mutant Light CHAIN, ... | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-12 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Y49
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![BU of 6y49 by Molmil](/molmil-images/mine/6y49) | Crystal structure of the paraoxon-modified A.17kappa antibody FAB fragment | Descriptor: | A.17kappa antibody FAB fragment - Heavy Chain, A.17kappa antibody FAB fragment - Light Chain, DIETHYL PHOSPHONATE | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-19 | Release date: | 2020-09-16 | Last modified: | 2020-09-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Y1N
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![BU of 6y1n by Molmil](/molmil-images/mine/6y1n) | Crystal structure of the phosphonate-modified A.5 antibody FAB fragment | Descriptor: | 8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL PHENYLPHOSPHONATE, FAB A.5 Heavy chain, FAB A.5 Light Chain | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-12 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Y1K
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![BU of 6y1k by Molmil](/molmil-images/mine/6y1k) | Crystal structure of the unmodified A.17 antibody FAB fragment - L47R mutant | Descriptor: | FAB A.17 L47R mutant Heavy Chain, FAB A.17 L47R mutant Light Chain | Authors: | Chatziefthimiou, S, Stepanova, A, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-12 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Y1M
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![BU of 6y1m by Molmil](/molmil-images/mine/6y1m) | Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - L47K mutant | Descriptor: | DIETHYL PHOSPHONATE, FAB A.17 L47K mutant HEAVY CHAIN, FAB A.17 L47K mutant Light CHAIN | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-12 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
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6SUM
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![BU of 6sum by Molmil](/molmil-images/mine/6sum) | Amicoumacin kinase hAmiN in complex with AMP-PNP, MG2+ and Ami | Descriptor: | ACETATE ION, AMICOUMACIN KINASE, Amicoumacin A, ... | Authors: | Bourenkov, G.P, Mokrushina, Y.A, Terekhov, S.S, Smirnov, I.V, Gabibov, A.G, Altman, S. | Deposit date: | 2019-09-16 | Release date: | 2020-07-22 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A kinase bioscavenger provides antibiotic resistance by extremely tight substrate binding. Sci Adv, 6, 2020
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6SUL
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![BU of 6sul by Molmil](/molmil-images/mine/6sul) | Amicoumacin kinase AmiN in complex with AMP-PNP, Mg2+ and Ami | Descriptor: | Amicoumacin A, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Bourenkov, G.P, Mokrushina, Y.A, Terekhov, S.S, Smirnov, I.V, Gabibov, A.G, Altman, S. | Deposit date: | 2019-09-15 | Release date: | 2020-07-22 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A kinase bioscavenger provides antibiotic resistance by extremely tight substrate binding. Sci Adv, 6, 2020
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6SUN
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![BU of 6sun by Molmil](/molmil-images/mine/6sun) | Amicoumacin kinase hAmiN in complex with AMP-PNP, Ca2+ and Ami | Descriptor: | APH domain-containing protein, amicoumacin kinase, Amicoumacin A, ... | Authors: | Bourenkov, G.P, Mokrushina, Y.A, Terekhov, S.S, Smirnov, I.V, Gabibov, A.G, Altman, S. | Deposit date: | 2019-09-16 | Release date: | 2020-07-22 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A kinase bioscavenger provides antibiotic resistance by extremely tight substrate binding. Sci Adv, 6, 2020
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6SUI
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![BU of 6sui by Molmil](/molmil-images/mine/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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6SV5
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![BU of 6sv5 by Molmil](/molmil-images/mine/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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6VBG
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![BU of 6vbg by Molmil](/molmil-images/mine/6vbg) | Lactose permease complex with thiodigalactoside and nanobody 9043 | Descriptor: | Galactoside permease, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose, nanobody 9043, ... | Authors: | Kumar, H, Stroud, R.M, Kaback, H.R, Finer-Moore, J, Smirnova, I, Kasho, V, Pardon, E, Steyart, J. | Deposit date: | 2019-12-18 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Diversity in kinetics correlated with structure in nano body-stabilized LacY. Plos One, 15, 2020
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2Y84
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![BU of 2y84 by Molmil](/molmil-images/mine/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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1PV6
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![BU of 1pv6 by Molmil](/molmil-images/mine/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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1PV7
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![BU of 1pv7 by Molmil](/molmil-images/mine/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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2Y7W
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![BU of 2y7w by Molmil](/molmil-images/mine/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
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![BU of 2y7k by Molmil](/molmil-images/mine/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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4OAA
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![BU of 4oaa by Molmil](/molmil-images/mine/4oaa) | Crystal structure of E. coli lactose permease G46W,G262W bound to sugar | Descriptor: | Lactose/galactose transporter, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose | Authors: | Kumar, H, Kasho, V, Smirnova, I, Finer-Moore, J, Kaback, H.R, Stroud, R.M. | Deposit date: | 2014-01-03 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of sugar-bound LacY. Proc.Natl.Acad.Sci.USA, 111, 2014
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