8VEL
 
 | | IsPETase - ACCCC mutant | | Descriptor: | Poly(ethylene terephthalate) hydrolase, SULFATE ION | | Authors: | Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C. | | Deposit date: | 2023-12-19 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.624 Å) | | Cite: | Enhancing PET Degrading Enzymes: A Combinatory Approach.
Chembiochem, 25, 2024
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1AXV
 | | SOLUTION NMR STRUCTURE OF THE [BP]DA ADDUCT OPPOSITE DT IN A DNA DUPLEX, 6 STRUCTURES | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA DUPLEX D(CTCTC-[BP]A-CTTCC)D(GGAAGTGAGAG) | | Authors: | Mao, B, Gu, Z, Gorin, A.A, Chen, J, Hingerty, B.E, Amid, S, Broyde, S, Geacintov, N.E, Patel, D.J. | | Deposit date: | 1997-10-21 | | Release date: | 1998-07-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the (+)-cis-anti-benzo[a]pyrene-dA ([BP]dA) adduct opposite dT in a DNA duplex.
Biochemistry, 38, 1999
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1Y9H
 | | Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 5'-D(*CP*CP*AP*TP*(5CM)P*(BPG)P*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | | Authors: | Zhang, N, Lin, C, Huang, X, Kolbanovskiy, A, Hingerty, B.E, Amin, S, Broyde, S, Geacintov, N.E, Patel, D.J. | | Deposit date: | 2004-12-15 | | Release date: | 2005-03-22 | | Last modified: | 2024-04-24 | | Method: | SOLUTION NMR | | Cite: | Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement.
J.Mol.Biol., 346, 2005
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2LZK
 | | NMR solution structure of an N2-guanine DNA adduct derived from the potent tumorigen dibenzo[a,l]pyrene: Intercalation from the minor groove with ruptured Watson-Crick base pairing | | Descriptor: | (11S,12S,13S)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol, DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3') | | Authors: | Tang, Y, Liu, Z, Ding, S, Lin, C.H, Cai, Y, Rodriguez, F.A, Sayer, J.M, Jerina, D.M, Amin, S, Broyde, S, Geacintov, N.E. | | Deposit date: | 2012-10-04 | | Release date: | 2012-11-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Nuclear Magnetic Resonance Solution Structure of an N(2)-Guanine DNA Adduct Derived from the Potent Tumorigen Dibenzo[a,l]pyrene: Intercalation from the Minor Groove with Ruptured Watson-Crick Base Pairing.
Biochemistry, 51, 2012
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2MIW
 | | Nuclear magnetic resonance studies of N2-guanine adducts derived from the tumorigen dibenzo[a,l]pyrene in DNA: Impact of adduct stereochemistry, size, and local DNA structure on solution conformations | | Descriptor: | (11R,12R,13R)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol, DNA_(5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA_(5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3') | | Authors: | Rodriguez, F.A, Liu, Z, Lin, C.H, Ding, S, Cai, Y, Kolbanovskiy, A, Kolbanovskiy, M, Amin, S, Broyde, S, Geacintov, N.E. | | Deposit date: | 2013-12-20 | | Release date: | 2014-04-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Nuclear Magnetic Resonance Studies of an N(2)-Guanine Adduct Derived from the Tumorigen Dibenzo[a,l]pyrene in DNA: Impact of Adduct Stereochemistry, Size, and Local DNA Sequence on Solution Conformations.
Biochemistry, 53, 2014
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2MIV
 | | NMR studies of N2-guanine adducts derived from the tumorigen dibenzo[a,l]pyrene in DNA: Impact of adduct stereochemistry, size, and local DNA structure on solution conformations | | Descriptor: | (11R,12R,13R)-11,12,13,14-tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol, DNA_(5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'), DNA_(5'-D(*GP*GP*TP*AP*GP*GP*AP*TP*GP*G)-3') | | Authors: | Rodriguez, F.A, Liu, Z, Lin, C.H, Ding, S, Cai, Y, Kolbanovskiy, A, Kolbanovskiy, M, Amin, S, Broyde, S, Geacintov, N.E. | | Deposit date: | 2013-12-20 | | Release date: | 2014-04-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Nuclear Magnetic Resonance Studies of an N(2)-Guanine Adduct Derived from the Tumorigen Dibenzo[a,l]pyrene in DNA: Impact of Adduct Stereochemistry, Size, and Local DNA Sequence on Solution Conformations.
Biochemistry, 53, 2014
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6EPK
 | | CRYSTAL STRUCTURE OF THE PRECURSOR MEMBRANE PROTEIN-ENVELOPE PROTEIN HETERODIMER FROM THE YELLOW FEVER VIRUS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, GLYCEROL, ... | | Authors: | Rey, F.A, Duquerroy, S, Crampon, E, Barba-Spaeth, G. | | Deposit date: | 2017-10-11 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | New insight into flavivirus maturation from structure/function studies of the yellow fever virus envelope protein complex
Mbio, 2023
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8CRU
 | | PETase Ancestral Sequence Reconstruction 008 | | Descriptor: | CITRIC ACID, Poly(ethylene terephthalate) hydrolase | | Authors: | Joho, Y, Royan, S, Caputo, A.T, Ardevol Grau, A, Jackson, C. | | Deposit date: | 2022-05-11 | | Release date: | 2022-09-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Ancestral Sequence Reconstruction Identifies Structural Changes Underlying the Evolution of Ideonella sakaiensis PETase and Variants with Improved Stability and Activity.
Biochemistry, 62, 2023
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3JQO
 | | Crystal structure of the outer membrane complex of a type IV secretion system | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, LAURYL DIMETHYLAMINE-N-OXIDE, TraF protein, ... | | Authors: | Chandran, V, Fronzes, R, Duquerroy, S, Cronin, N, Navaza, J, Waksman, G. | | Deposit date: | 2009-09-07 | | Release date: | 2009-12-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the outer membrane complex of a type IV secretion system
Nature, 462, 2009
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1C0Y
 | | SOLUTION STRUCTURE OF THE [AF]-C8-DG ADDUCT POSITIONED OPPOSITE DA AT A TEMPLATE-PRIMER JUNCTION | | Descriptor: | 2-AMINOFLUORENE, DNA (5'-D(*AP*AP*CP*GP*CP*TP*AP*CP*CP*AP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*GP*GP*TP*AP*GP*C)-3') | | Authors: | Gu, Z, Gorin, A, Hingerty, B.E, Broyde, S, Patel, D.J. | | Deposit date: | 1999-07-19 | | Release date: | 1999-08-31 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structures of aminofluorene [AF]-stacked conformers of the syn [AF]-C8-dG adduct positioned opposite dC or dA at a template-primer junction.
Biochemistry, 38, 1999
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4BWN
 | | NEMO CC2-LZ DOMAIN | | Descriptor: | NF-KAPPA-B ESSENTIAL MODULATOR | | Authors: | Dubosclard, V, Duquerroy, S, Fontan, E, Agou, F. | | Deposit date: | 2013-07-03 | | Release date: | 2014-07-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | High-Resolution of Crystal Structure of the Human Cc2-Lz Domain of Nemo by Protein Engineering
To be Published
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2XFB
 | | CHIKUNGUNYA E1 E2 ENVELOPE GLYCOPROTEINS FITTED IN SINDBIS VIRUS cryo- EM MAP | | Descriptor: | E1 ENVELOPE GLYCOPROTEIN, E2 ENVELOPE GLYCOPROTEIN | | Authors: | Voss, J.E, Vaney, M.C, Duquerroy, S, Rey, F.A. | | Deposit date: | 2010-05-21 | | Release date: | 2010-11-24 | | Last modified: | 2019-10-23 | | Method: | ELECTRON MICROSCOPY (9 Å) | | Cite: | Glycoprotein Organization of Chikungunya Virus Particles Revealed by X-Ray Crystallography
Nature, 468, 2010
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2BUO
 | | HIV-1 capsid C-terminal domain in complex with an inhibitor of particle assembly | | Descriptor: | ACETIC ACID, HIV-1 CAPSID PROTEIN, INHIBITOR OF CAPSID ASSEMBLY | | Authors: | Ternois, F, Sticht, J, Duquerroy, S, Krausslich, H.-G, Rey, F.A. | | Deposit date: | 2005-06-17 | | Release date: | 2005-07-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The HIV-1 Capsid Protein C-Terminal Domain in Complex with a Virus Assembly Inhibitor
Nat.Struct.Mol.Biol., 12, 2005
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5A42
 | | Cryo-EM single particle 3D reconstruction of the native conformation of E. coli alpha-2-macroglobulin (ECAM) | | Descriptor: | UNCHARACTERIZED LIPOPROTEIN YFHM | | Authors: | Garcia-Ferrer, I, Arede, P, Gomez-Blanco, J, Luque, D, Duquerroy, S, Caston, J.R, Goulas, T, Gomis-Ruth, F.X. | | Deposit date: | 2015-06-04 | | Release date: | 2015-07-29 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (16 Å) | | Cite: | Structural and Functional Insights Into Escherichia Coli Alpha2- Macroglobulin Endopeptidase Snap-Trap Inhibition.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4A6G
 | | N-acyl amino acid racemase from Amycalotopsis sp. Ts-1-60: G291D- F323Y mutant in complex with N-acetyl methionine | | Descriptor: | MAGNESIUM ION, N-ACETYLMETHIONINE, N-ACYLAMINO ACID RACEMASE | | Authors: | Baxter, S, Royer, S, Grogan, G, Holt-Tiffin, K.E, Taylor, I.N, Fotheringham, I.G, Campopiano, D.J. | | Deposit date: | 2011-11-02 | | Release date: | 2012-11-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | An Improved Racemase/Acylase Biotransformation for the Preparation of Enantiomerically Pure Amino Acids.
J.Am.Chem.Soc., 134, 2012
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4ZIQ
 | | Crystal structure of trypsin activated alpha-2-macroglobulin from Escherichia coli. | | Descriptor: | CHLORIDE ION, GLYCEROL, Uncharacterized lipoprotein YfhM | | Authors: | Garcia-Ferrer, I, Arede, P, Gomez-Blanco, J, Luque, D, Duquerroy, S, Caston, J.R, Goulas, T, Gomis-Ruth, X.F. | | Deposit date: | 2015-04-28 | | Release date: | 2015-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural and functional insights into Escherichia coli alpha 2-macroglobulin endopeptidase snap-trap inhibition.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4ZJG
 | | Crystal structure of native alpha-2-macroglobulin from Escherichia coli spanning domains MG0-NIE-MG1. | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, PENTAETHYLENE GLYCOL, ... | | Authors: | Garcia-Ferrer, I, Arede, P, Gomez-Blanco, J, Luque, D, Duquerroy, S, Caston, J.R, Goulas, T, Gomis-Ruth, X.F. | | Deposit date: | 2015-04-29 | | Release date: | 2015-06-10 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and functional insights into Escherichia coli alpha 2-macroglobulin endopeptidase snap-trap inhibition.
Proc.Natl.Acad.Sci.USA, 112, 2015
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1AX6
 | | SOLUTION STRUCTURE OF THE [AF]-C8-DG ADDUCT OPPOSITE A-2 DELETION SITE IN THE NARI HOT SPOT SEQUENCE CONTEXT; NMR, 6 STRUCTURES | | Descriptor: | 2-AMINOFLUORENE, DNA DUPLEX D(CTCGGC-[AF]G-CCATC)D(GATGGCCGAG) | | Authors: | Mao, B, Gorin, A.A, Gu, Z, Hingerty, B.E, Broyde, S, Patel, D.J. | | Deposit date: | 1997-10-30 | | Release date: | 1998-07-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the aminofluorene-intercalated conformer of the syn [AF]-C8-dG adduct opposite a--2 deletion site in the NarI hot spot sequence context.
Biochemistry, 36, 1997
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1AXL
 | | SOLUTION CONFORMATION OF THE (-)-TRANS-ANTI-[BP]DG ADDUCT OPPOSITE A DELETION SITE IN DNA DUPLEX D(CCATC-[BP]G-CTACC)D(GGTAG--GATGG), NMR, 6 STRUCTURES | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA DUPLEX D(CCATC-[BP]G-CTACC)D(GGTAG--GATGG) | | Authors: | Feng, B, Gorin, A.A, Kolbanovskiy, A, Hingerty, B.E, Geacintov, N.E, Broyde, S, Patel, D.J. | | Deposit date: | 1997-10-16 | | Release date: | 1998-07-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution conformation of the (-)-trans-anti-[BP]dG adduct opposite a deletion site in a DNA duplex: intercalation of the covalently attached benzo[a]pyrene into the helix with base displacement of the modified deoxyguanosine into the minor groove.
Biochemistry, 36, 1997
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1AX7
 | | SOLUTION STRUCTURE OF THE [AF]-C8-DG ADDUCT POSITIONED AT A TEMPLATE-PRIMER JUNCTION, NMR, 6 STRUCTURES | | Descriptor: | 2-AMINOFLUORENE, DNA DUPLEX D(AAC-[AF]G-CTACCATCC)D(GGATGGTAG) | | Authors: | Mao, B, Gu, Z, Gorin, A.A, Hingerty, B.E, Broyde, S, Patel, D.J. | | Deposit date: | 1997-10-30 | | Release date: | 1998-07-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the aminofluorene-stacked conformer of the syn [AF]-C8-dG adduct positioned at a template-primer junction.
Biochemistry, 36, 1997
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1AXO
 | | STRUCTURAL ALIGNMENT OF THE (+)-TRANS-ANTI-[BP]DG ADDUCT POSITIONED OPPOSITE DC AT A DNA TEMPLATE-PRIMER JUNCTION, NMR, 6 STRUCTURES | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA DUPLEX D(AAC-[BP]G-CTACCATCC)D(GGATGGTAGC) | | Authors: | Feng, B, Gorin, A.A, Hingerty, B.E, Geacintov, N.E, Broyde, S, Patel, D.J. | | Deposit date: | 1997-10-16 | | Release date: | 1998-07-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural alignment of the (+)-trans-anti-benzo[a]pyrene-dG adduct positioned opposite dC at a DNA template-primer junction.
Biochemistry, 36, 1997
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2V4H
 | | NEMO CC2-LZ domain - 1D5 DARPin complex | | Descriptor: | 1D5 DARPIN, NF-KAPPA-B ESSENTIAL MODULATOR | | Authors: | Grubisha, O, Duquerroy, S, Cordier, F, Haouz, A, Delepierre, M, Veron, M, Agou, F. | | Deposit date: | 2008-09-22 | | Release date: | 2009-11-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Darpin-Assisted Crystallography of the Cc2-Lz Domain of Nemo Reveals a Coupling between Dimerization and Ubiquitin-Binding.
J.Mol.Biol., 395, 2010
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1PYJ
 | | Solution Structure of an O6-[4-oxo-4-(3-pyridyl)butyl]guanine adduct in an 11mer DNA duplex | | Descriptor: | 5'-D(*CP*CP*AP*TP*AP*TP*GP*GP*CP*CP*C)-3', 5'-D*GP*GP*GP*CP*CP*AP*TP*AP*TP*GP*G)-3' | | Authors: | Peterson, L.A, Vu, C, Hingerty, B.E, Broyde, S, Cosman, M. | | Deposit date: | 2003-07-09 | | Release date: | 2004-04-20 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of an O6-[4-oxo-4-(3-pyridyl)butyl]guanine adduct in an 11 mer DNA duplex: evidence for formation of a base triplex.
Biochemistry, 42, 2003
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1YRL
 | | Escherichia coli ketol-acid reductoisomerase | | Descriptor: | Ketol-acid reductoisomerase, SULFATE ION | | Authors: | Tyagi, R, Duquerroy, S, Navaza, J, Guddat, L.W, Duggleby, R.G. | | Deposit date: | 2005-02-04 | | Release date: | 2005-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The crystal structure of a bacterial class II ketol-acid reductoisomerase: domain conservation and evolution
Protein Sci., 14, 2005
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2WJ8
 | | Respiratory Syncitial Virus RiboNucleoProtein | | Descriptor: | BORATE ION, NUCLEOPROTEIN, RNA (5'-R(*CP*CP*CP*CP*CP*C)-3') | | Authors: | Tawar, R.G, Duquerroy, S, Vonrhein, C, Varela, P.F, Damier-Piolle, L, Castagne, N, MacLellan, K, Bedouelle, H, Bricogne, G, Bhella, D, Eleouet, J, Rey, F.A. | | Deposit date: | 2009-05-25 | | Release date: | 2009-12-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Crystal Structure of a Nucleocapsid-Like Nucleoprotein-RNA Complex of Respiratory Syncytial Virus
Science, 326, 2009
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