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6NCE
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CRYSTAL STRUCTURE OF THE HUMAN FOXN3 DNA BINDING DOMAIN IN COMPLEX WITH A FORKHEAD DNA SEQUENCE
Descriptor:Forkhead box protein N3, DNA (5'-D(*TP*CP*TP*TP*AP*AP*GP*TP*AP*AP*AP*CP*AP*AP*TP*G)-3'), DNA (5'-D(*AP*CP*AP*TP*TP*GP*TP*TP*TP*AP*CP*TP*TP*AP*AP*G)-3'), ...
Authors:Rogers, J.M., Jarrett, S.M., Seegar, T.C., Waters, C.T., Hallworth, A.N., Blacklow, S.C., Bulyk, M.L.
Deposit date:2018-12-11
Release date:2019-02-27
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Bispecific Forkhead Transcription Factor FoxN3 Recognizes Two Distinct Motifs with Different DNA Shapes.
Mol. Cell, 2019
6NCM
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CRYSTAL STRUCTURE OF THE HUMAN FOXN3 DNA BINDING DOMAIN IN COMPLEX WITH A FORKHEAD-LIKE (FHL) DNA SEQUENCE
Descriptor:Forkhead box protein N3, DNA (5'-D(*AP*TP*AP*GP*CP*GP*TP*CP*TP*TP*AP*GP*CP*AP*TP*G)-3'), DNA (5'-D(*TP*CP*AP*TP*GP*CP*TP*AP*AP*GP*AP*CP*GP*CP*TP*A)-3'), ...
Authors:Rogers, J.M., Jarrett, S.M., Seegar, T.C., Waters, C.T., Hallworth, A.N., Blacklow, S.C., Bulyk, M.L.
Deposit date:2018-12-11
Release date:2019-02-27
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:Bispecific Forkhead Transcription Factor FoxN3 Recognizes Two Distinct Motifs with Different DNA Shapes.
Mol. Cell, 2019
6CRF
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CRYSTAL STRUCTURE OF SHP2 E76K GOF MUTANT IN THE OPEN CONFORMATION
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, GLYCEROL
Authors:Stams, T., Fodor, M.
Deposit date:2018-03-17
Release date:2018-11-07
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural reorganization of SHP2 by oncogenic mutations and implications for oncoprotein resistance to allosteric inhibition.
Nat Commun, 9, 2018
6CRG
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CRYSTAL STRUCTURE OF SHP2 E76K GOF MUTANT IN COMPLEX WITH SHP099
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, SULFATE ION, ...
Authors:Stams, T., Fodor, M.
Deposit date:2018-03-17
Release date:2018-11-07
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural reorganization of SHP2 by oncogenic mutations and implications for oncoprotein resistance to allosteric inhibition.
Nat Commun, 9, 2018
6CJ2
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH THE INHIBITOR JWG056
Descriptor:Bromodomain-containing protein 4, 2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
Authors:Xu, X., Blacklow, S.C.
Deposit date:2018-02-26
Release date:2019-03-06
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural and atropisomeric factors governing the selectivity profile of pyrimido-benzodiazipinones as inhibitors of kinases and bromodomains
To Be Published
6CIS
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH THE INHIBITOR JWG047
Descriptor:Bromodomain-containing protein 4, 11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 1,2-ETHANEDIOL, ...
Authors:Xu, X., Blacklow, S.C.
Deposit date:2018-02-25
Release date:2018-08-29
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
6CIY
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH THE INHIBITOR JWG069
Descriptor:Bromodomain-containing protein 4, 11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 1,2-ETHANEDIOL, ...
Authors:Xu, X., Blacklow, S.C.
Deposit date:2018-02-25
Release date:2018-08-29
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
6CJ1
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH THE INHIBITOR JWG071
Descriptor:Bromodomain-containing protein 4, 11-[(2R)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 11-[(2S)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, ...
Authors:Xu, X., Blacklow, S.C.
Deposit date:2018-02-25
Release date:2018-08-29
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
6CD4
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH THE INHIBITOR JWG046
Descriptor:Bromodomain-containing protein 4, 2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 1,2-ETHANEDIOL
Authors:Xu, X., Blacklow, S.C.
Deposit date:2018-02-08
Release date:2018-08-29
Last modified:2019-04-17
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
6CD5
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH THE INHIBITOR XMD17-26
Descriptor:Bromodomain-containing protein 4, 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 1,2-ETHANEDIOL, ...
Authors:Xu, X., Blacklow, S.C.
Deposit date:2018-02-08
Release date:2019-01-16
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
6BN5
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NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 F285S IN COMPLEX WITH ALLOSTERIC INHIBITOR JLR-2
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, 3-benzyl-8-chloro-2-hydroxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Authors:Blacklow, S.C., Stams, T., Fodor, M., LaRochelle, J.R.
Deposit date:2017-11-16
Release date:2017-12-13
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Identification of an allosteric benzothiazolopyrimidone inhibitor of the oncogenic protein tyrosine phosphatase SHP2.
Bioorg. Med. Chem., 25, 2017
6BMR
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NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITOR SHP244
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, 4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, PHOSPHATE ION, ...
Authors:Stams, T., Fodor, M.
Deposit date:2017-11-15
Release date:2018-01-17
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.205 Å)
Cite:Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMU
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NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITORS SHP099 AND SHP244
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, 4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, ...
Authors:Stams, T., Fodor, M.
Deposit date:2017-11-15
Release date:2018-01-17
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMV
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NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITOR SHP504
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid, PHOSPHATE ION
Authors:Stams, T., Fodor, M.
Deposit date:2017-11-15
Release date:2018-01-17
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.053 Å)
Cite:Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMW
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NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITORS SHP099 AND SHP504
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid, ...
Authors:Stams, T., Fodor, M.
Deposit date:2017-11-15
Release date:2018-01-17
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMX
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NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITOR SHP844
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline, PHOSPHATE ION, ...
Authors:Stams, T., Fodor, M.
Deposit date:2017-11-15
Release date:2018-01-17
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.424 Å)
Cite:Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMY
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NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITORS SHP099 AND SHP844
Descriptor:Tyrosine-protein phosphatase non-receptor type 11, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline, ...
Authors:Stams, T., Fodor, M.
Deposit date:2017-11-15
Release date:2018-01-17
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BDZ
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ADAM10 EXTRACELLULAR DOMAIN BOUND BY THE 11G2 FAB
Descriptor:11G2 Fab Light Chain, 11G2 Fab Heavy Chain, Disintegrin and metalloproteinase domain-containing protein 10, ...
Authors:Seegar, T.C.M.
Deposit date:2017-10-24
Release date:2017-12-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis for Regulated Proteolysis by the alpha-Secretase ADAM10.
Cell, 171, 2017
6BE6
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ADAM10 EXTRACELLULAR DOMAIN
Descriptor:Disintegrin and metalloproteinase domain-containing protein 10, N-ACETYL-D-GLUCOSAMINE, ALPHA-D-MANNOSE, ...
Authors:Seegar, T.C.M.
Deposit date:2017-10-24
Release date:2017-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for Regulated Proteolysis by the alpha-Secretase ADAM10.
Cell, 171, 2017
5WA5
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH THE INHIBITOR XMD11-50
Descriptor:Bromodomain-containing protein 4, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 1,2-ETHANEDIOL
Authors:Xu, X., Blacklow, S.C.
Deposit date:2017-06-24
Release date:2018-07-04
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (1.172 Å)
Cite:Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
5W55
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH THE INHIBITOR JWG048
Descriptor:Bromodomain-containing protein 4, 11-ethyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 1,2-ETHANEDIOL
Authors:Xu, X., Blacklow, S.C.
Deposit date:2017-06-14
Release date:2018-06-20
Method:X-RAY DIFFRACTION (1.354 Å)
Cite:Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG048
To Be Published
5VO5
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CRYSTAL STRUCTURE OF LGD-SHRUB COMPLEX, SINGLE CHAIN FUSION
Descriptor:Coiled-coil and C2 domain-containing protein 1-like,GH13992p
Authors:McMillan, B.J., Seegar, T.C.M., Blacklow, S.C.
Deposit date:2017-05-02
Release date:2017-06-14
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:Structural Basis for Regulation of ESCRT-III Complexes by Lgd.
Cell Rep, 19, 2017
5VNY
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CRYSTAL STRUCTURE OF DM14-3 DOMAIN OF LGD
Descriptor:Lethal (2) giant discs 1, isoform B
Authors:McMillan, B.J., Blacklow, S.C.
Deposit date:2017-05-01
Release date:2017-06-14
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:Structural Basis for Regulation of ESCRT-III Complexes by Lgd.
Cell Rep, 19, 2017
5UX6
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STRUCTURE OF HUMAN POFUT1 IN ITS APO FORM
Descriptor:GDP-fucose protein O-fucosyltransferase 1, N-ACETYL-D-GLUCOSAMINE, GLYCEROL
Authors:Xu, X., McMillan, B., Blacklow, S.C.
Deposit date:2017-02-22
Release date:2017-04-05
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure of human POFUT1, its requirement in ligand-independent oncogenic Notch signaling, and functional effects of Dowling-Degos mutations.
Glycobiology, 27, 2017
5UXH
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STRUCTURE OF HUMAN POFUT1 IN COMPLEX WITH GDP-FUCOSE
Descriptor:GDP-fucose protein O-fucosyltransferase 1, GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, N-ACETYL-D-GLUCOSAMINE
Authors:Xu, X., McMillan, B., Blacklow, S.C.
Deposit date:2017-02-22
Release date:2017-04-05
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structure of human POFUT1, its requirement in ligand-independent oncogenic Notch signaling, and functional effects of Dowling-Degos mutations.
Glycobiology, 27, 2017
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