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5UP4
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BU of 5up4 by Molmil
Structure of the HIV-1 Capsid Protein and spacer peptide 1 by Cryo-EM
Descriptor: HIV-1 Capsid Protein and spacer peptide 1
Authors:Perilla, J.R, Schirra, R, Zhang, P, Schulten, K.
Deposit date:2017-02-01
Release date:2017-12-06
Last modified:2017-12-13
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Quenching protein dynamics interferes with HIV capsid maturation.
Nat Commun, 8, 2017
2W0T
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BU of 2w0t by Molmil
Solution structure of the FCS zinc finger domain of human LMBL2
Descriptor: LETHAL(3)MALIGNANT BRAIN TUMOR-LIKE 2 PROTEIN, ZINC ION
Authors:Lechtenberg, B.C, Allen, M.D, Bycroft, M.
Deposit date:2008-10-10
Release date:2009-01-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure of the Fcs Zinc Finger Domain of the Human Polycomb Group Protein L(3)Mbt-Like 2.
Protein Sci., 18, 2009
5UIY
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BU of 5uiy by Molmil
Structure of Bromodomain from human BAZ1A
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain adjacent to zinc finger domain protein 1A
Authors:Oppikofer, M, Sudhamsu, J.
Deposit date:2017-01-16
Release date:2017-07-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.687 Å)
Cite:Non-canonical reader modules of BAZ1A promote recovery from DNA damage.
Nat Commun, 8, 2017
2X0U
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BU of 2x0u by Molmil
STRUCTURE OF THE P53 CORE DOMAIN MUTANT Y220C BOUND TO A 2-amino substituted benzothiazole scaffold
Descriptor: 6,7-DIHYDRO[1,4]DIOXINO[2,3-F][1,3]BENZOTHIAZOL-2-AMINE, CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C, Kaar, J.L, Basse, N, Fersht, A.R.
Deposit date:2009-12-17
Release date:2010-01-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Toward the Rational Design of P53-Stabilizing Drugs: Probing the Surface of the Oncogenic Y220C Mutant.
Chem.Biol., 17, 2010
5SUY
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BU of 5suy by Molmil
Domain-swapped dimer of human Dishevelled2 DEP domain: monoclinic crystal form crystallised from dimeric fraction
Descriptor: SULFATE ION, Segment polarity protein dishevelled homolog DVL-2
Authors:Renko, M, Gammons, M.V, Bienz, M.
Deposit date:2016-08-04
Release date:2016-10-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Wnt Signalosome Assembly by DEP Domain Swapping of Dishevelled.
Mol.Cell, 64, 2016
2VUK
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BU of 2vuk by Molmil
Structure of the p53 core domain mutant Y220C bound to the stabilizing small-molecule drug PhiKan083
Descriptor: 1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine, CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C, Boeckler, F.M, Fersht, A.R.
Deposit date:2008-05-26
Release date:2008-07-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Targeted Rescue of a Destabilized Mutant of P53 by an in Silico Screened Drug.
Proc.Natl.Acad.Sci.USA, 105, 2008
2X0V
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BU of 2x0v by Molmil
STRUCTURE OF THE P53 CORE DOMAIN MUTANT Y220C BOUND TO 4-(trifluoromethyl)benzene-1,2-diamine
Descriptor: 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Basse, N, Kaar, J.L, Joerger, A.C, Fersht, A.R.
Deposit date:2009-12-17
Release date:2010-01-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Toward the Rational Design of P53-Stabilizing Drugs: Probing the Surface of the Oncogenic Y220C Mutant.
Chem.Biol., 17, 2010
5TOI
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BU of 5toi by Molmil
Crystal Structure of the Marburg Virus VP35 Oligomerization Domain P4222
Descriptor: Polymerase cofactor VP35
Authors:Bruhn, J.F, Tickle, I.J, Bricogne, G, Saphire, E.O.
Deposit date:2016-10-17
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal Structure of the Marburg Virus VP35 Oligomerization Domain.
J. Virol., 91, 2017
5UQV
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USP7 in complex with GNE6640 (4-(2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl)phenol)
Descriptor: 4-[2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl]phenol, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Murray, J.M, Rouge, L.
Deposit date:2017-02-08
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:USP7 small-molecule inhibitors interfere with ubiquitin binding.
Nature, 550, 2017
5UJ2
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Crystal structure of HCV NS5B genotype 2A JFH-1 isolate with S15G E86Q E87Q C223H V321I mutations and Delta8 neta hairpoin loop deletion in complex with GS-639476 (diphsohate version of GS-9813), Mn2+ and symmetrical primer template 5'-AUAAAUUU
Descriptor: (1S)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-D-ribitol, CHLORIDE ION, Genome polyprotein, ...
Authors:Edwards, T.E, Fox III, D, Appleby, T.C, Murakami, E, Rey, A, McGrath, M.E.
Deposit date:2017-01-16
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of a 2'-fluoro-2'-C-methyl C-nucleotide HCV polymerase inhibitor and a phosphoramidate prodrug with favorable properties.
Bioorg. Med. Chem. Lett., 27, 2017
5UQX
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BU of 5uqx by Molmil
USP7 in complex with GNE6776 (6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl-[3,3'-bipyridine]-6-carboxamide)
Descriptor: 6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl[3,3'-bipyridine]-6-carboxamide, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Murray, J.M, Rouge, L.
Deposit date:2017-02-08
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:USP7 small-molecule inhibitors interfere with ubiquitin binding.
Nature, 550, 2017
5THL
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BU of 5thl by Molmil
Crystal structure of the human tyrosyl-tRNA synthetase mutant G41R
Descriptor: Tyrosine--tRNA ligase, cytoplasmic
Authors:Blocquel, D, Sajish, M, Yang, X.L.
Deposit date:2016-09-29
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Alternative stable conformation capable of protein misinteraction links tRNA synthetase to peripheral neuropathy.
Nucleic Acids Res., 45, 2017
5THH
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BU of 5thh by Molmil
Crystal structure of a human tyrosyl-tRNA synthetase mutant
Descriptor: TYROSINE, Tyrosine--tRNA ligase, cytoplasmic
Authors:Blocquel, D, Yang, X.L.
Deposit date:2016-09-29
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.959 Å)
Cite:Alternative stable conformation capable of protein misinteraction links tRNA synthetase to peripheral neuropathy.
Nucleic Acids Res., 45, 2017
5VD6
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BU of 5vd6 by Molmil
Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with bisubstrate analog 6
Descriptor: (3R,5S,9R,23S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-23-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatetracosan-24-oic acid 3,5-dioxide (non-preferred name), SULFATE ION, acetyltransferase PA4794
Authors:Majorek, K.A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2017-04-01
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Generating enzyme and radical-mediated bisubstrates as tools for investigating Gcn5-related N-acetyltransferases.
FEBS Lett., 591, 2017
8ERF
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BU of 8erf by Molmil
HTLV-1 capsid protein N-terminal domain orthorhombic crystal form
Descriptor: SULFATE ION, capsid protein p24
Authors:Yu, R.J, Li, N, Jacques, D.A.
Deposit date:2022-10-11
Release date:2023-10-18
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:HTLV-1 capsid protein N-terminal domain orthorhombic crystal form
To Be Published
6ERF
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BU of 6erf by Molmil
Complex of APLF factor and Ku heterodimer bound to DNA
Descriptor: Aprataxin and PNK-like factor, DNA (34-MER), DNA (5'-D(*GP*TP*TP*TP*TP*TP*AP*GP*TP*TP*TP*AP*TP*TP*GP*GP*GP*CP*GP*CP*G)-3'), ...
Authors:Nemoz, C, Legrand, P, Ropars, V, Charbonnier, J.B.
Deposit date:2017-10-18
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:XLF and APLF bind Ku80 at two remote sites to ensure DNA repair by non-homologous end joining.
Nat.Struct.Mol.Biol., 25, 2018
5ERF
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BU of 5erf by Molmil
Ketosynthase from module 6 of the bacillaene synthase from Bacillus subtilis 168
Descriptor: Polyketide synthase PksL
Authors:Wagner, D.T, Gay, D.C, Keatinge-Clay, A.T.
Deposit date:2015-11-14
Release date:2015-12-23
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The LINKS motif zippers trans-acyltransferase polyketide synthase assembly lines into a biosynthetic megacomplex.
J.Struct.Biol., 193, 2016
6ERG
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BU of 6erg by Molmil
Complex of XLF and heterodimer Ku bound to DNA
Descriptor: DNA (21-MER), DNA (34-MER), Non-homologous end-joining factor 1, ...
Authors:Nemoz, C, Legrand, P, Ropars, V, Charbonnier, J.B.
Deposit date:2017-10-18
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:XLF and APLF bind Ku80 at two remote sites to ensure DNA repair by non-homologous end joining.
Nat. Struct. Mol. Biol., 25, 2018
4ERF
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BU of 4erf by Molmil
crystal structure of MDM2 (17-111) in complex with compound 29 (AM-8553)
Descriptor: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2012-04-20
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
3ERF
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BU of 3erf by Molmil
Crystal structure of Gtt2 from Saccharomyces cerevisiae
Descriptor: Glutathione S-transferase 2
Authors:Ma, X.X, Jiang, Y.L, He, Y.X, Chen, Y.X, Zhou, C.Z.
Deposit date:2008-10-02
Release date:2009-10-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structures of yeast glutathione-S-transferase Gtt2 reveal a new catalytic type of GST family.
Embo Rep., 10, 2009
4ERE
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BU of 4ere by Molmil
crystal structure of MDM2 (17-111) in complex with compound 23
Descriptor: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid
Authors:Huang, X.
Deposit date:2012-04-20
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
3ERG
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BU of 3erg by Molmil
Crystal structure of Gtt2 from Saccharomyces cerevisiae in complex with glutathione sulfnate
Descriptor: GLUTATHIONE SULFONIC ACID, Glutathione S-transferase 2
Authors:Ma, X.X, Jiang, Y.L, He, Y.X, Chen, Y.X, Zhou, C.Z.
Deposit date:2008-10-02
Release date:2009-10-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of yeast glutathione-S-transferase Gtt2 reveal a new catalytic type of GST family.
Embo Rep., 10, 2009
6TZH
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BU of 6tzh by Molmil
ADC-7 in complex with boronic acid transition state inhibitor S06015
Descriptor: Beta-lactamase, GLYCINE, PHOSPHATE ION, ...
Authors:Fish, E.R, Powers, R.A, Wallar, B.J.
Deposit date:2019-08-12
Release date:2020-06-24
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase.
Acs Infect Dis., 6, 2020
5K2G
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BU of 5k2g by Molmil
Structure of GNNQQNY from yeast prion Sup35 in space group P21 determined by MicroED
Descriptor: Eukaryotic peptide chain release factor GTP-binding subunit
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.1 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
5K2H
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BU of 5k2h by Molmil
Structure of GNNQQNY from yeast prion Sup35 in space group P212121 determined by MicroED
Descriptor: Eukaryotic peptide chain release factor GTP-binding subunit
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.05 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016

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