7SMU
 
 | | Crystal Structure of Consomatin-Ro1 | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaoctatetracontane-1,48-diol, Consomatin-Ro1 | | Authors: | Ramiro, I.B.L, Whitby, F.G, Hill, C.P, Safavi-Hemami, H, Concepcion, G.P, Olivera, B.M. | | Deposit date: | 2021-10-26 | | Release date: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Somatostatin venom analogs evolved by fish-hunting cone snails: From prey capture behavior to identifying drug leads.
Sci Adv, 8, 2022
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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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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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2B61
 | | Crystal Structure of Homoserine Transacetylase | | Descriptor: | Homoserine O-acetyltransferase | | Authors: | Mirza, I.A, Nazi, I, Korczynska, M, Wright, G.D, Berghuis, A.M. | | Deposit date: | 2005-09-29 | | Release date: | 2005-11-15 | | Last modified: | 2018-02-07 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of Homoserine Transacetylase from Haemophilus influenzae Reveals a New Family of alpha/beta-Hydrolases
Biochemistry, 44, 2005
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4I59
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3GWD
 | | Closed crystal structure of cyclohexanone monooxygenase | | Descriptor: | Cyclohexanone monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Mirza, I.A, Yachnin, B.J, Berghuis, A.M. | | Deposit date: | 2009-03-31 | | Release date: | 2009-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of cyclohexanone monooxygenase reveal complex domain movements and a sliding cofactor
J.Am.Chem.Soc., 131, 2009
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3GWF
 | | Open crystal structure of cyclohexanone monooxygenase | | Descriptor: | Cyclohexanone monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Mirza, I.A, Yachnin, B.J, Berghuis, A.M. | | Deposit date: | 2009-04-01 | | Release date: | 2009-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of cyclohexanone monooxygenase reveal complex domain movements and a sliding cofactor
J.Am.Chem.Soc., 131, 2009
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4I58
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6G5F
 | | Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 1 | | Descriptor: | Botulinum neurotoxin type B, GLYCEROL, MALONATE ION, ... | | Authors: | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | | Deposit date: | 2018-03-29 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
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6G5G
 | | Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 2 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | Authors: | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | | Deposit date: | 2018-03-29 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
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6G5K
 | | Crystal structure of the binding domain of Botulinum Neurotoxin type B in complex with human synaptotagmin 1 | | Descriptor: | Botulinum neurotoxin type B, Synaptotagmin-1 | | Authors: | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | | Deposit date: | 2018-03-29 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
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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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1TVE
 | | Homoserine Dehydrogenase in complex with 4-(4-hydroxy-3-isopropylphenylthio)-2-isopropylphenol | | Descriptor: | 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-2-ISOPROPYLPHENOL, Homoserine dehydrogenase | | Authors: | Ejim, L, Mirza, I.A, Capone, C, Nazi, I, Jenkins, S, Chee, G.L, Berghuis, A.M, Wright, G.D. | | Deposit date: | 2004-06-29 | | Release date: | 2004-07-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | New phenolic inhibitors of yeast homoserine dehydrogenase
Bioorg.Med.Chem., 12, 2004
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1KM8
 | | The Structure of a Cytotoxic Ribonuclease From the Oocyte of Rana Catesbeiana (Bullfrog) | | Descriptor: | PHOSPHATE ION, RIBONUCLEASE, OOCYTES | | Authors: | Chern, S.-S, Musayev, F.N, Amiraslanov, I.R, Liao, Y.-D, Liaw, Y.-C. | | Deposit date: | 2001-12-14 | | Release date: | 2003-09-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Structure of a Cytotoxic Ribonuclease From the Oocyte of Rana Catesbeiana (Bullfrog)
To be Published
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1KM9
 | | The Structure of a Cytotoxic Ribonuclease From the Oocyte of Rana Catesbeiana (Bullfrog) | | Descriptor: | PHOSPHATE ION, RIBONUCLEASE, OOCYTES | | Authors: | Chern, S.-S, Musayev, F.N, Amiraslanov, I.R, Liao, Y.-D, Liaw, Y.-C. | | Deposit date: | 2001-12-14 | | Release date: | 2003-09-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | The Structure of a Cytotoxic Ribonuclease From the Oocyte of Rana Catesbeiana (Bullfrog)
To be Published
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5K59
 | | Crystal structure of LukGH from Staphylococcus aureus in complex with a neutralising antibody | | Descriptor: | CHLORIDE ION, Fab heavy chain, Fab light chain, ... | | Authors: | Welin, M, Logan, D.T, Badarau, A, Mirkina, I, Zauner, G, Dolezilkova, I, Nagy, E. | | Deposit date: | 2016-05-23 | | Release date: | 2016-08-10 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Context matters: The importance of dimerization-induced conformation of the LukGH leukocidin of Staphylococcus aureus for the generation of neutralizing antibodies.
Mabs, 8, 2016
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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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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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