Author results

4LN2
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THE SECOND SH3 DOMAIN FROM CAP/PONSIN IN COMPLEX WITH PROLINE RICH PEPTIDE FROM VINCULIN
Descriptor:Sorbin and SH3 domain-containing protein 1, proline rich peptide
Authors:Zhao, D., Li, F., Wu, J., Shi, Y., Zhang, Z., Gong, Q.
Deposit date:2013-07-11
Release date:2014-05-28
Last modified:2014-12-10
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin
J.Struct.Biol., 187, 2014
3EY2
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A CONFORMATIONAL TRANSITION IN THE STRUCTURE OF A 2'-THIOMETHYL-MODIFIED DNA VISUALIZED AT HIGH RESOLUTION
Descriptor:5'-D(*GP*CP*GP*TP*AP*(USM)P*AP*CP*GP*C)-3', N-methylpropane-1,3-diamine
Authors:Egli, M., Pallan, P.S.
Deposit date:2008-10-17
Release date:2009-04-28
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:A conformational transition in the structure of a 2'-thiomethyl-modified DNA visualized at high resolution.
Chem.Commun.(Camb.), 15, 2009
2Q1O
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CRYSTAL STRUCTURE ANALYSIS OF THE RNA DODECAMER CGC-NF2-AAUUGGCG, WITH AN INCORPORATED 2,4-DIFLUOROTOLUYL RESIDUE (NF2)
Descriptor:RNA (5'-R(*CP*GP*CP*(NF2)P*AP*AP*UP*UP*GP*GP*CP*G)-3')
Authors:Li, F., Pallan, P.S.
Deposit date:2007-05-25
Release date:2007-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure, stability and in vitro RNAi activity of oligoribonucleotides containing the ribo-difluorotoluyl nucleotide: insights into substrate requirements by the human RISC Ago2 enzyme.
Nucleic Acids Res., 35, 2007
2Q1R
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CRYSTAL STRUCTURE ANALYSIS OF THE RNA DODECAMER CGCGAAUUAGCG, WITH A G-A MISMATCH.
Descriptor:RNA (5'-R(*CP*GP*CP*GP*AP*AP*UP*UP*AP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Li, F., Pallan, P.S.
Deposit date:2007-05-25
Release date:2007-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Crystal structure, stability and in vitro RNAi activity of oligoribonucleotides containing the ribo-difluorotoluyl nucleotide: insights into substrate requirements by the human RISC Ago2 enzyme.
Nucleic Acids Res., 35, 2007
2FIH
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CRYSTAL STRUCTURE ANALYSIS OF THE B-DNA DODECAMER CGCGAA-AU-TCGCG, WITH INCORPORATED ARABINO-URIDINE (AU)
Descriptor:5'-D(*CP*GP*CP*GP*AP*AP*(UAR)P*TP*CP*GP*CP*G)-3', MAGNESIUM ION
Authors:Egli, M., Li, F.
Deposit date:2005-12-29
Release date:2006-05-23
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:2'-Fluoroarabino- and arabinonucleic acid show different conformations, resulting in deviating RNA affinities and processing of their heteroduplexes with RNA by RNase H.
Biochemistry, 45, 2006
5EQ0
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CRYSTAL STRUCTURE OF CHROMODOMAIN OF CBX8 IN COMPLEX WITH INHIBITOR UNC3866
Descriptor:Chromobox protein homolog 8, unc3866, UNKNOWN ATOM OR ION
Authors:Liu, Y., Tempel, W., Walker, J.R., Stuckey, J.I., Dickson, B.M., James, L.I., Frye, S.V., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Min, J., Structural Genomics Consortium (SGC)
Deposit date:2015-11-12
Release date:2015-12-23
Last modified:2016-02-24
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1.
Nat.Chem.Biol., 12, 2016
2FIJ
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CRYSTAL STRUCTURE ANALYSIS OF THE A-DNA DECAMER GCGT-2'OMEA-AU-ACGC, WITH INCORPORATED 2'-O-METHYLATED-ADENOSINE (2'OMEA) AND ARABINO-URIDINE (AU)
Descriptor:5'-D(*GP*CP*GP*TP*(A2M)P*(UAR)P*AP*CP*GP*C)-3', CHLORIDE ION, COBALT HEXAMMINE(III)
Authors:Egli, M., Li, F.
Deposit date:2005-12-29
Release date:2006-05-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:2'-Fluoroarabino- and arabinonucleic acid show different conformations, resulting in deviating RNA affinities and processing of their heteroduplexes with RNA by RNase H.
Biochemistry, 45, 2006
2FII
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CRYSTAL STRUCTURE ANALYSIS OF THE B-DNA DODECAMER CGCGAAT-AU-CGCG, WITH INCORPORATED ARABINO-URIDIN (AU)
Descriptor:5'-D(*CP*GP*CP*GP*AP*AP*TP*(UAR)P*CP*GP*CP*G)-3', MAGNESIUM ION
Authors:Egli, M., Li, F.
Deposit date:2005-12-29
Release date:2006-05-23
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:2'-Fluoroarabino- and arabinonucleic acid show different conformations, resulting in deviating RNA affinities and processing of their heteroduplexes with RNA by RNase H.
Biochemistry, 45, 2006
3EY3
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A CONFORMATIONAL TRANSITION IN THE STRUCTURE OF A 2'-THIOMETHYL-MODIFIED DNA VISUALIZED AT HIGH RESOLUTION
Descriptor:5'-D(*CP*GP*CP*GP*AP*AP*(USM)P*(USM)P*CP*GP*CP*G)-3', STRONTIUM ION, (4S)-2-METHYL-2,4-PENTANEDIOL
Authors:Egli, M., Pallan, P.S.
Deposit date:2008-10-17
Release date:2009-04-28
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A conformational transition in the structure of a 2'-thiomethyl-modified DNA visualized at high resolution.
Chem.Commun.(Camb.), 15, 2009
5TEG
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CRYSTAL STRUCTURE OF HSETD8 IN COMPLEX WITH HISTONE H4K20 NORLEUCINE MUTANT PEPTIDE AND S-ADENOSYLMETHIONINE
Descriptor:N-lysine methyltransferase KMT5A, Histone H4 mutant peptide with H4K20norleucine, S-ADENOSYLMETHIONINE
Authors:Judge, R.A., Petros, A.M.
Deposit date:2016-09-21
Release date:2016-12-07
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Turning a Substrate Peptide into a Potent Inhibitor for the Histone Methyltransferase SETD8.
ACS Med Chem Lett, 7, 2016
5VSC
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STRUCTURE OF HUMAN G9A SET-DOMAIN (EHMT2) IN COMPLEX WITH INHIBITOR 13
Descriptor:Histone-lysine N-methyltransferase EHMT2, ZINC ION, S-ADENOSYLMETHIONINE, ...
Authors:Babault, N., Xiong, Y., Liu, J., Jin, J.
Deposit date:2017-05-11
Release date:2017-07-12
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
4LNP
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THE FIRST SH3 DOMAIN FROM CAP/PONSIN IN COMPLEX WITH PROLINE RICH PEPTIDE FROM VINCULIN
Descriptor:Sorbin and SH3 domain-containing protein 1, Vinculin
Authors:Zhao, D., Li, F., Wu, J., Shi, Y., Zhang, Z., Gong, Q.
Deposit date:2013-07-11
Release date:2014-05-28
Last modified:2014-12-10
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin
J.Struct.Biol., 187, 2014
5JI8
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CRYSTAL STRUCTURE OF THE BRD9 BROMODOMAIN AND HIT 1
Descriptor:Bromodomain-containing protein 9, 2-amino-1,3-benzothiazole-6-carboxamide
Authors:Wang, N., Li, F., Bao, H., Li, J., Wu, J., Ruan, K.
Deposit date:2016-04-22
Release date:2016-06-22
Last modified:2016-08-17
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:NMR Fragment Screening Hit Induces Plasticity of BRD7/9 Bromodomains
Chembiochem, 17, 2016
5OLT
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CRYSTAL STRUCTURE OF THE EXTRAMEMBRANE DOMAIN OF THE CELLULOSE BIOSYNTHETIC PROTEIN BCSG FROM SALMONELLA TYPHIMURIUM
Descriptor:Cellulose biosynthesis protein BcsG, ZINC ION, CITRIC ACID
Authors:Vella, P., Polyakova, A., Lindqvist, Y., Schnell, R., Bourenkov, G., Schneider, T., Schneider, G.
Deposit date:2017-07-28
Release date:2018-08-08
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and Functional Characterization of the BcsG Subunit of the Cellulose Synthase in Salmonella typhimurium.
J. Mol. Biol., 430, 2018
5EP6
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THE CRYSTAL STRUCTURE OF NAP1 IN COMPLEX WITH TBK1
Descriptor:5-azacytidine-induced protein 2, Serine/threonine-protein kinase TBK1, GLYCEROL
Authors:Li, F., Xie, X., Liu, J., Pan, L.
Deposit date:2015-11-11
Release date:2016-09-28
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins.
Nat Commun, 7, 2016
5GH9
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CRYSTAL STRUCTURE OF CBP BROMODOMAIN WITH H3K56AC PEPTIDE
Descriptor:CREB-binding protein, Histone H3
Authors:Xu, L.
Deposit date:2016-06-19
Release date:2017-06-21
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Structural insight into CBP bromodomain-mediated recognition of acetylated histone H3K56ac
FEBS J., 2017
3V43
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CRYSTAL STRUCTURE OF MOZ
Descriptor:Histone acetyltransferase KAT6A, Histone H3.1, ZINC ION, ...
Authors:Qiu, Y., Li, F.
Deposit date:2011-12-14
Release date:2012-06-27
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription
Genes Dev., 26, 2012
4GNE
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CRYSTAL STRUCTURE OF NSD3 TANDEM PHD5-C5HCH DOMAINS COMPLEXED WITH H3 PEPTIDE 1-7
Descriptor:Histone-lysine N-methyltransferase NSD3, Histone H3.3, ZINC ION
Authors:Li, F., He, C., Wu, J., Shi, Y.
Deposit date:2012-08-17
Release date:2013-01-02
Last modified:2013-09-04
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:The methyltransferase NSD3 has chromatin-binding motifs, PHD5-C5HCH, that are distinct from other NSD (nuclear receptor SET domain) family members in their histone H3 recognition.
J.Biol.Chem., 288, 2013
4NN2
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PROTEIN CRYSTAL STRUCTURE OF HUMAN BORJESON-FORSSMAN-LEHMANN SYNDROME ASSOCIATED PROTEIN PHF6
Descriptor:PHD finger protein 6, ZINC ION, GLYCEROL
Authors:Liu, Z., Li, F., Zhang, J., Mei, Y., Wu, J., Shi, Y.
Deposit date:2013-11-16
Release date:2014-02-26
Last modified:2014-12-03
Method:X-RAY DIFFRACTION (1.472 Å)
Cite:Crystal Structure of the second extended PHD domain of human PHF6 protein
J.Biol.Chem., 2014
5H1D
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CRYSTAL STRUCTURE OF C-TERMINAL OF RHOGDI2
Descriptor:Rho GDP-dissociation inhibitor 2
Authors:Liu, J.
Deposit date:2016-10-08
Release date:2016-10-26
Last modified:2017-02-22
Method:X-RAY DIFFRACTION (1.494 Å)
Cite:NMR characterization of weak interactions between RhoGDI2 and fragment screening hits.
Biochim. Biophys. Acta, 1861, 2017
4QL1
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CRYSTAL STRUCTURE OF HUMAN WDR5 IN COMPLEX WITH COMPOUND OICR-9429
Descriptor:WD repeat-containing protein 5, N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, UNKNOWN ATOM OR ION, ...
Authors:Dong, A., Dombrovski, L., Walker, J.R., Getlik, M., Kuznetsova, E., Smil, D., Barsyte, D., Li, F., Poda, G., Senisterra, G., Marcellus, R., Al-Awar, R., Bountra, C., Arrowsmith, C.H., Edwards, A.M., Brown, P.J., Schapira, M., Vedadi, M., Wu, H., Structural Genomics Consortium (SGC)
Deposit date:2014-06-10
Release date:2014-12-17
Last modified:2016-02-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Pharmacological targeting of the Wdr5-MLL interaction in C/EBP alpha N-terminal leukemia.
Nat.Chem.Biol., 11, 2015
5GTU
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STRUCTURAL AND MECHANISTIC INSIGHTS INTO REGULATION OF THE RETROMER COAT BY TBC1D5
Descriptor:Vacuolar protein sorting-associated protein 29, TBC1 domain family member 5
Authors:Jia, D., Rosen, M.
Deposit date:2016-08-23
Release date:2016-12-07
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and mechanistic insights into regulation of the retromer coat by TBC1d5
Nat Commun, 7, 2016
6E68
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NAMPT CO-CRYSTAL WITH INHIBITOR COMPOUND 2
Descriptor:Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, (2E)-N-{4-[1-(3-aminobenzene-1-carbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide
Authors:Waight, A.B., Neumann, C.S.
Deposit date:2018-07-24
Release date:2018-08-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:NAMPT co-crystal with inhibitor compound 2
to be published
4GNF
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CRYSTAL STRUCTURE OF NSD3 TANDEM PHD5-C5HCH DOMAINS COMPLEXED WITH H3 PEPTIDE 1-15
Descriptor:Histone-lysine N-methyltransferase NSD3, Histone H3.3, ZINC ION
Authors:Li, F., He, C., Wu, J., Shi, Y.
Deposit date:2012-08-17
Release date:2013-01-02
Last modified:2013-09-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The methyltransferase NSD3 has chromatin-binding motifs, PHD5-C5HCH, that are distinct from other NSD (nuclear receptor SET domain) family members in their histone H3 recognition.
J.Biol.Chem., 288, 2013
4H14
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CRYSTAL STRUCTURE OF BOVINE CORONAVIRUS SPIKE PROTEIN LECTIN DOMAIN
Descriptor:Spike glycoprotein, N-ACETYL-D-GLUCOSAMINE, SULFATE ION
Authors:Li, F.
Deposit date:2012-09-10
Release date:2012-10-31
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of bovine coronavirus spike protein lectin domain.
J.Biol.Chem., 287, 2012