Author results

1FMK
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CRYSTAL STRUCTURE OF HUMAN TYROSINE-PROTEIN KINASE C-SRC
Descriptor:TYROSINE-PROTEIN KINASE SRC
Authors:Xu, W., Harrison, S.C., Eck, M.J.
Deposit date:1997-01-24
Release date:1997-08-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Three-dimensional structure of the tyrosine kinase c-Src.
Nature, 385, 1997
1PDN
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CRYSTAL STRUCTURE OF A PAIRED DOMAIN-DNA COMPLEX AT 2.5 ANGSTROMS RESOLUTION REVEALS STRUCTURAL BASIS FOR PAX DEVELOPMENTAL MUTATIONS
Descriptor:DNA (5'-D(*AP*AP*CP*GP*TP*CP*AP*CP*GP*GP*TP*TP*GP*AP*C)-3'), DNA (5'-D(*TP*TP*GP*TP*CP*AP*AP*CP*CP*GP*TP*GP*AP*CP*G)-3'), PROTEIN (PRD PAIRED)
Authors:Xu, W., Rould, M.A., Jun, S., Desplan, C., Pabo, C.O.
Deposit date:1995-05-16
Release date:1995-07-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a paired domain-DNA complex at 2.5 A resolution reveals structural basis for Pax developmental mutations.
Cell(Cambridge,Mass.), 80, 1995
2SRC
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CRYSTAL STRUCTURE OF HUMAN TYROSINE-PROTEIN KINASE C-SRC, IN COMPLEX WITH AMP-PNP
Descriptor:TYROSINE-PROTEIN KINASE SRC, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Xu, W., Doshi, A., Lei, M., Eck, M.J., Harrison, S.C.
Deposit date:1998-12-29
Release date:1999-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of c-Src reveal features of its autoinhibitory mechanism.
Mol.Cell, 3, 1999
3ELO
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CRYSTAL STRUCTURE OF HUMAN PANCREATIC PROPHOSPHOLIPASE A2
Descriptor:Phospholipase A2, SULFATE ION
Authors:Xu, W., Yi, L., Feng, Y., Chen, L., Liu, J.
Deposit date:2008-09-22
Release date:2009-04-14
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insight into the activation mechanism of human pancreatic prophospholipase A2
J.Biol.Chem., 284, 2009
4U2X
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EBOLA VIRUS VP24 IN COMPLEX WITH KARYOPHERIN ALPHA 5 C-TERMINUS
Descriptor:Membrane-associated protein VP24, Importin subunit alpha-6, CHLORIDE ION
Authors:Xu, W., Leung, D., Borek, D., Amarasinghe, G.
Deposit date:2014-07-18
Release date:2014-08-13
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (3.153 Å)
Cite:Ebola Virus VP24 Targets a Unique NLS Binding Site on Karyopherin Alpha 5 to Selectively Compete with Nuclear Import of Phosphorylated STAT1.
Cell Host Microbe, 16, 2014
5BXO
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HUMAN TANKYRASE-2 IN COMPLEX WITH MACROCYCLISED EXTENDED PEPTIDE CP4N2M3
Descriptor:Tankyrase-2, SULFATE ION, DIMETHYL SULFOXIDE, ...
Authors:Xu, W., Fischer, G., Hyvonen, M., Itzhaki, L.
Deposit date:2015-06-09
Release date:2016-06-29
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.334 Å)
Cite:Human Tankyrase-2 in Complex with Extended Stapled Peptide sp4n2m3
To Be Published
5BXU
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HUMAN TANKYRASE-2 IN COMPLEX WITH MACROCYCLISED EXTENDED PEPTIDE CP4N4M5
Descriptor:Tankyrase-2, cp4n4m5, CHLORIDE ION, ...
Authors:Xu, W., Fischer, G., Hyvonen, M., Itzhaki, L.
Deposit date:2015-06-09
Release date:2016-06-29
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Human Tankyrase-2 in Complex with Extended Stapled Peptide sp4n4m5
to be published
5VAO
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CRYSTAL STRUCTURE OF EVP30 C-TERMINUS AND ENP PEPTIDE
Descriptor:Minor nucleoprotein VP30, NP, GLYCEROL, ...
Authors:XU, W., Leung, D.W., Amarasinghe, G.K.
Deposit date:2017-03-27
Release date:2017-06-21
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Ebola virus VP30 and nucleoprotein interactions modulate viral RNA synthesis.
Nat Commun, 8, 2017
5VAP
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CRYSTAL STRUCTURE OF EVP30 C-TERMINUS AND ENP PEPTIDE
Descriptor:Minor nucleoprotein VP30, NP
Authors:XU, W., WU, C., Leung, D.W., Amarasinghe, G.K.
Deposit date:2017-03-27
Release date:2017-06-21
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Ebola virus VP30 and nucleoprotein interactions modulate viral RNA synthesis.
Nat Commun, 8, 2017
3PUQ
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CEKDM7A FROM C.ELEGANS, COMPLEX WITH ALPHA-KG
Descriptor:Lysine-specific demethylase 7 homolog, FE (II) ION, ZINC ION, ...
Authors:Yang, Y., Wang, P., Xu, W., Xu, Y.
Deposit date:2010-12-06
Release date:2011-01-26
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Oncometabolite 2-hydroxyglutarate is a competitive inhibitor of alpha-ketoglutarate-dependent dioxygenases
Cancer Cell, 19, 2011
3PUR
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CEKDM7A FROM C.ELEGANS, COMPLEX WITH D-2-HG
Descriptor:Lysine-specific demethylase 7 homolog, FE (II) ION, ZINC ION, ...
Authors:Yang, Y., Wang, P., Xu, W., Xu, Y.
Deposit date:2010-12-06
Release date:2011-01-26
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Oncometabolite 2-hydroxyglutarate is a competitive inhibitor of alpha-ketoglutarate-dependent dioxygenases
Cancer Cell, 19, 2011
3F5P
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COMPLEX STRUCTURE OF INSULIN-LIKE GROWTH FACTOR RECEPTOR AND 3-CYANOQUINOLINE INHIBITOR
Descriptor:Insulin-like growth factor 1 receptor, 4-[[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[3-(2-hydroxyethyl-methyl-amino)propoxy]-6-methoxy-quinoline-3-carbonitrile
Authors:Xu, W., Miller, L.M., Mayer, S.C., Berger, D.M., Boschelli, D.H., Boschelli, F.
Deposit date:2008-11-04
Release date:2008-12-30
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Lead identification to generate 3-cyanoquinoline inhibitors of insulin-like growth factor receptor (IGF-1R) for potential use in cancer treatment
Bioorg.Med.Chem.Lett., 19, 2009
2I47
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CRYSTAL STRUCTURE OF CATALYTIC DOMAIN OF TACE WITH INHIBITOR
Descriptor:ADAM 17, ZINC ION, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ...
Authors:Xu, W., Condon, J.S., Lovering, F.E.
Deposit date:2006-08-21
Release date:2006-12-05
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of potent and selective TACE inhibitors via the S1 pocket.
Bioorg.Med.Chem.Lett., 17, 2007
2ZMM
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CRYSTAL STRUCTURE OF PTP1B-INHIBITOR COMPLEX
Descriptor:Tyrosine-protein phosphatase non-receptor type 1, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Xu, W., Wu, J.
Deposit date:2008-04-19
Release date:2008-10-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based optimization of protein tyrosine phosphatase-1 B inhibitors: capturing interactions with arginine 24
Chemmedchem, 3, 2008
2ZN7
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CRYSTAL STRUCTURES OF PTP1B-INHIBITOR COMPLEXES
Descriptor:Tyrosine-protein phosphatase non-receptor type 1, 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid
Authors:Xu, W., Wu, J.
Deposit date:2008-04-22
Release date:2008-10-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based optimization of protein tyrosine phosphatase-1 B inhibitors: capturing interactions with arginine 24
Chemmedchem, 3, 2008
2H4G
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CRYSTAL STRUCTURE OF PTP1B WITH MONOCYCLIC THIOPHENE INHIBITOR
Descriptor:Tyrosine-protein phosphatase non-receptor type 1, 4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID
Authors:Xu, W., Wan, Z.-K.
Deposit date:2006-05-24
Release date:2006-08-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Monocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: Capturing interactions with Asp48.
Bioorg.Med.Chem.Lett., 16, 2006
2H4K
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CRYSTAL STRUCTURE OF PTP1B WITH A MONOCYCLIC THIOPHENE INHIBITOR
Descriptor:Tyrosine-protein phosphatase non-receptor type 1, 4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
Authors:Xu, W., Wan, Z.-K.
Deposit date:2006-05-24
Release date:2006-08-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Monocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: Capturing interactions with Asp48.
Bioorg.Med.Chem.Lett., 16, 2006
2HB1
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CRYSTAL STRUCTURE OF PTP1B WITH MONOCYCLIC THIOPHENE INHIBITOR
Descriptor:Tyrosine-protein phosphatase non-receptor type 1, 4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID
Authors:Xu, W., Wan, Z.-K., Lee, J.
Deposit date:2006-06-13
Release date:2006-08-29
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Monocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: Capturing interactions with Asp48.
Bioorg.Med.Chem.Lett., 16, 2006
2NT7
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CRYSTAL STRUCTURE OF PTP1B-INHIBITOR COMPLEX
Descriptor:Tyrosine-protein phosphatase non-receptor type 1, {[5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-2-(2H-TETRAZOL-5-YL)-3-THIENYL]OXY}ACETIC ACID
Authors:Xu, W., Follows, B.
Deposit date:2006-11-07
Release date:2007-04-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Probing acid replacements of thiophene PTP1B inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2NTA
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CRYSTAL STRUCTURE OF PTP1B-INHIBITOR COMPLEX
Descriptor:Tyrosine-protein phosphatase non-receptor type 1, 5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE
Authors:Xu, W., Follows, B.
Deposit date:2006-11-07
Release date:2007-04-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Probing acid replacements of thiophene PTP1B inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2ZM3
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COMPLEX STRUCTURE OF INSULIN-LIKE GROWTH FACTOR RECEPTOR AND ISOQUINOLINEDIONE INHIBITOR
Descriptor:Insulin-like growth factor 1 receptor, (4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
Authors:Xu, W., Mayer, S.C., Boschelli, F., Johnson, M., Dwyer, B.
Deposit date:2008-04-10
Release date:2008-06-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Lead identification to generate isoquinolinedione inhibitors of insulin-like growth factor receptor (IGF-1R) for potential use in cancer treatment
Bioorg.Med.Chem.Lett., 18, 2008
3G42
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CRYSTAL STRUCTURE OF TACE WITH TRYPTOPHAN SULFONAMIDE DERIVATIVE INHIBITOR
Descriptor:ADAM 17, N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan, ZINC ION
Authors:Xu, W., Park, K., Gopalsamy, A., Aplasca, A., Zhang, Y.H., Levin, J.I.
Deposit date:2009-02-03
Release date:2009-05-19
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Synthesis and activity of tryptophan sulfonamide derivatives as novel non-hydroxamate TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem., 17, 2009
3H0E
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3,4-DIHYDROPYRIMIDO(1,2-A)INDOL-10(2H)-ONES AS POTENT NON-PEPTIDIC INHIBITORS OF CASPASE-3
Descriptor:Caspase-3, (10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol
Authors:Xu, W.
Deposit date:2009-04-09
Release date:2009-11-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as potent non-peptidic inhibitors of caspase-3
Bioorg.Med.Chem., 17, 2009
3II5
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THE COMPLEX OF WILD-TYPE B-RAF WITH PYRAZOLO PYRIMIDINE INHIBITOR
Descriptor:B-Raf proto-oncogene serine/threonine-protein kinase, N-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide, PHOSPHATE ION
Authors:Xu, W., Breger, D., Torres, N., Dutia, M., Powell, D., Ciszewski, G.
Deposit date:2009-07-31
Release date:2009-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Non-hinge-binding pyrazolo[1,5-a]pyrimidines as potent B-Raf kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3L1B
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COMPLEX STRUCTURE OF FXR LIGAND-BINDING DOMAIN WITH A TETRAHYDROAZEPINOINDOLE COMPOUND
Descriptor:Farnesoid X receptor, 1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
Authors:Xu, W., Lundquist, J.T.
Deposit date:2009-12-11
Release date:2010-03-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Improvement of Physiochemical Properties of the Tetrahydroazepinoindole Series of Farnesoid X Receptor (FXR) Agonists: Beneficial Modulation of Lipids in Primates.
J.Med.Chem., 53, 2010