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5ITP
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BU of 5itp by Molmil
Structure of the periplasmic binding protein NocT from A.tumefaciens in complex with octopine
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Nopaline-binding periplasmic protein, ...
Authors:Vigouroux, A, Morera, S.
Deposit date:2016-03-17
Release date:2016-11-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fitness costs restrict niche expansion by generalist niche-constructing pathogens.
ISME J, 11, 2017
4QOZ
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BU of 4qoz by Molmil
Crystal structure of the histone mRNA stem-loop, stem-loop binding protein (phosphorylated), and 3'hExo ternary complex
Descriptor: 3'-5' exoribonuclease 1, Histone RNA hairpin-binding protein, histone mRNA stem-loop
Authors:Tan, D, Tong, L.
Deposit date:2014-06-21
Release date:2014-07-23
Last modified:2014-08-06
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Molecular mechanisms for the regulation of histone mRNA stem-loop-binding protein by phosphorylation.
Proc.Natl.Acad.Sci.USA, 111, 2014
2LVM
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BU of 2lvm by Molmil
Solution structure of human 53BP1 tandem Tudor domains in complex with a histone H4K20me2 peptide
Descriptor: Histone H4, Tumor suppressor p53-binding protein 1
Authors:Cui, G, Botuyan, M, Mer, G.
Deposit date:2012-07-07
Release date:2012-12-12
Last modified:2013-04-03
Method:SOLUTION NMR
Cite:Acetylation limits 53BP1 association with damaged chromatin to promote homologous recombination.
Nat.Struct.Mol.Biol., 20, 2013
2RTU
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BU of 2rtu by Molmil
Solution structure of oxidized human HMGB1 A box
Descriptor: High mobility group protein B1
Authors:Jing, W, Tochio, N, Tate, S.
Deposit date:2013-09-12
Release date:2014-03-05
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Redox-sensitive structural change in the A-domain of HMGB1 and its implication for the binding to cisplatin modified DNA.
Biochem.Biophys.Res.Commun., 441, 2013
2RUQ
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BU of 2ruq by Molmil
solution structure of human Pin1 PPIase mutant C113A
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Jing, W, Tochio, N, Tate, S.
Deposit date:2015-01-20
Release date:2016-01-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Allosteric Breakage of the Hydrogen Bond within the Dual-Histidine Motif in the Active Site of Human Pin1 PPIase
Biochemistry, 54, 2015
2RUR
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BU of 2rur by Molmil
Solution structure of Human Pin1 PPIase C113S mutant
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Jing, W, Tochio, N, Tate, S.
Deposit date:2015-01-20
Release date:2016-01-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Allosteric Breakage of the Hydrogen Bond within the Dual-Histidine Motif in the Active Site of Human Pin1 PPIase
Biochemistry, 54, 2015
2JM1
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BU of 2jm1 by Molmil
Structures and chemical shift assignments for the ADD domain of the ATRX protein
Descriptor: Transcriptional regulator ATRX, ZINC ION
Authors:Yang, J, Neuhaus, D.
Deposit date:2006-09-13
Release date:2007-06-26
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structural consequences of disease-causing mutations in the ATRX-DNMT3-DNMT3L (ADD) domain of the chromatin-associated protein ATRX.
Proc.Natl.Acad.Sci.USA, 104, 2007
4P0I
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BU of 4p0i by Molmil
Structure of the PBP NocT
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Nopaline-binding periplasmic protein
Authors:Vigouroux, A, Morera, S.
Deposit date:2014-02-21
Release date:2014-10-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host.
Plos Pathog., 10, 2014
1CCP
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BU of 1ccp by Molmil
X-RAY STRUCTURES OF RECOMBINANT YEAST CYTOCHROME C PEROXIDASE AND THREE HEME-CLEFT MUTANTS PREPARED BY SITE-DIRECTED MUTAGENESIS
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, YEAST CYTOCHROME C PEROXIDASE
Authors:Wang, J, Mauro, J.M, Edwards, S.L, Oatley, S.J, Fishel, L.A, Ashford, V.A, Xuong, N.-H, Kraut, J.
Deposit date:1990-02-28
Release date:1991-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray structures of recombinant yeast cytochrome c peroxidase and three heme-cleft mutants prepared by site-directed mutagenesis.
Biochemistry, 29, 1990
4C80
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BU of 4c80 by Molmil
Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with hydrogen peroxide
Descriptor: (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ALDEHYDE OXIDOREDUCTASE, BICARBONATE ION, ...
Authors:Correia, H.D, Romao, M.J, Santos-Silva, T.
Deposit date:2013-09-27
Release date:2014-01-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Kinetic and Structural Studies of Aldehyde Oxidoreductase from Desulfovibrio Gigas Reveal a Dithiolene-Based Chemistry for Enzyme Activation and Inhibition by H2O2.
Plos One, 8, 2013
4PP0
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BU of 4pp0 by Molmil
Structure of the PBP NocT-M117N in complex with pyronopaline
Descriptor: 1,2-ETHANEDIOL, 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline, DI(HYDROXYETHYL)ETHER, ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2014-02-26
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host.
Plos Pathog., 10, 2014
4C7Y
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BU of 4c7y by Molmil
Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with sodium dithionite and sodium sulfide
Descriptor: (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ALDEHYDE OXIDOREDUCTASE, BICARBONATE ION, ...
Authors:Correia, H.D, Romao, M.J, Santos-Silva, T.
Deposit date:2013-09-27
Release date:2014-01-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Kinetic and Structural Studies of Aldehyde Oxidoreductase from Desulfovibrio Gigas Reveal a Dithiolene-Based Chemistry for Enzyme Activation and Inhibition by H2O2.
Plos One, 8, 2013
4POW
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BU of 4pow by Molmil
Structure of the PBP NocT in complex with pyronopaline
Descriptor: 1,2-ETHANEDIOL, 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline, Nopaline-binding periplasmic protein
Authors:Morera, S, Vigouroux, A.
Deposit date:2014-02-26
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host.
Plos Pathog., 10, 2014
2QMQ
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BU of 2qmq by Molmil
Crystal structure of a n-myc downstream regulated 2 protein (ndrg2, syld, ndr2, ai182517, au040374) from mus musculus at 1.70 A resolution
Descriptor: BENZOIC ACID, MAGNESIUM ION, NONAETHYLENE GLYCOL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-07-16
Release date:2007-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the human N-Myc downstream-regulated gene 2 protein provides insight into its role as a tumor suppressor.
J.Biol.Chem., 286, 2011
4C7Z
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BU of 4c7z by Molmil
Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), activated with sodium dithionite and sodium sulfide
Descriptor: (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ALDEHYDE OXIDOREDUCTASE, BICARBONATE ION, ...
Authors:Correia, H.D, Romao, M.J, Santos-Silva, T.
Deposit date:2013-09-27
Release date:2014-01-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Kinetic and Structural Studies of Aldehyde Oxidoreductase from Desulfovibrio Gigas Reveal a Dithiolene-Based Chemistry for Enzyme Activation and Inhibition by H2O2.
Plos One, 8, 2013
1WAO
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BU of 1wao by Molmil
PP5 structure
Descriptor: MANGANESE (II) ION, SERINE/THREONINE PROTEIN PHOSPHATASE 5
Authors:Barford, D.
Deposit date:2004-10-27
Release date:2005-02-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular Basis for Tpr Domain-Mediated Regulation of Protein Phosphatase 5
Embo J., 24, 2005
1M2J
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BU of 1m2j by Molmil
Sir2 homologue H80N mutant-ADP ribose complex
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Silent Information Regulator 2, ZINC ION
Authors:Chang, J, Cho, Y.
Deposit date:2002-06-24
Release date:2003-04-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for the NAD-dependent deacetylase mechanism of Sir2
J.BIOL.CHEM., 277, 2002
1M2H
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BU of 1m2h by Molmil
Sir2 homologue S24A mutant-ADP ribose complex
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Silent Information Regulator 2, ZINC ION
Authors:Chang, J, Cho, Y.
Deposit date:2002-06-24
Release date:2003-04-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the NAD-dependent deacetylase mechanism of Sir2
J.BIOL.CHEM., 277, 2002
1M2N
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BU of 1m2n by Molmil
Sir2 homologues (D102G/F159A/R170A) mutant-2'-O-acetyl ADP ribose complex
Descriptor: 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE, Silent Information Regulator 2, ZINC ION
Authors:Chang, J, Cho, Y.
Deposit date:2002-06-24
Release date:2003-04-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the NAD-dependent deacetylase mechanism of Sir2
J.BIOL.CHEM., 277, 2003
1M2K
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BU of 1m2k by Molmil
Sir2 homologue F159A mutant-ADP ribose complex
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Silent Information Regulator 2, ZINC ION
Authors:Chang, J, Cho, Y.
Deposit date:2002-06-24
Release date:2003-04-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural basis for the NAD-dependent deacetylase mechanism of Sir2
J.BIOL.CHEM., 277, 2002
1M2G
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BU of 1m2g by Molmil
Sir2 homologue-ADP ribose complex
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Silent Information Regulator 2, ZINC ION
Authors:Chang, J, Cho, Y.
Deposit date:2002-06-24
Release date:2003-04-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for the NAD-dependent deacetylase mechanism of Sir2
J.BIOL.CHEM., 277, 2002
1PID
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BU of 1pid by Molmil
BOVINE DESPENTAPEPTIDE INSULIN
Descriptor: DESPENTAPEPTIDE INSULIN
Authors:Holden, P.H, Papiz, M, Dodson, G.G.
Deposit date:1995-11-22
Release date:1996-12-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A model of insulin fibrils derived from the x-ray crystal structure of a monomeric insulin (despentapeptide insulin).
Proteins, 27, 1997
8HHT
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BU of 8hht by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide
Authors:Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
Deposit date:2022-11-17
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
8HHU
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BU of 8hhu by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with SY110
Descriptor: (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5
Authors:Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
Deposit date:2022-11-17
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.258 Å)
Cite:A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
8CIF
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BU of 8cif by Molmil
Bovine naive ultralong antibody AbD08 collected at 293K
Descriptor: Heavy chain, Light chain
Authors:Clarke, J.D, Mikolajek, H, Stuart, D.I, Owens, R.J.
Deposit date:2023-02-09
Release date:2023-05-24
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi.
Iucrj, 10, 2023

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