Author results

3UDW
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CRYSTAL STRUCTURE OF THE IMMUNORECEPTOR TIGIT IN COMPLEX WITH POLIOVIRUS RECEPTOR (PVR/CD155/NECL-5) D1 DOMAIN
Descriptor:T cell immunoreceptor with Ig and ITIM domains, Poliovirus receptor, N-ACETYL-D-GLUCOSAMINE
Authors:Rouge, L., Stengel, K.F., Yin, J.P., Bazan, F.J., Wiesmann, C.
Deposit date:2011-10-28
Release date:2012-03-14
Last modified:2012-04-25
Method:X-RAY DIFFRACTION (2.903 Å)
Cite:Structure of TIGIT immunoreceptor bound to poliovirus receptor reveals a cell-cell adhesion and signaling mechanism that requires cis-trans receptor clustering.
Proc.Natl.Acad.Sci.USA, 109, 2012
4ZY5
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CRYSTAL STRUCTURE OF P21-ACTIVATED KINASE 1 IN COMPLEX WITH AN INHIBITOR COMPOUND 17
Descriptor:Serine/threonine-protein kinase PAK 1, N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, SULFATE ION, ...
Authors:Rouge, L., Wang, W.
Deposit date:2015-05-21
Release date:2015-07-01
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4ZY6
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CRYSTAL STRUCTURE OF P21-ACTIVATED KINASE 1 IN COMPLEX WITH AN INHIBITOR COMPOUND 29
Descriptor:Serine/threonine-protein kinase PAK 1, N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, SULFATE ION
Authors:Rouge, L., Wang, W.
Deposit date:2015-05-21
Release date:2015-07-01
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
5BMS
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CRYSTAL STRUCTURE OF P21-ACTIVATED KINASE 4 IN COMPLEX WITH AN INHIBITOR COMPOUND 29
Descriptor:Serine/threonine-protein kinase PAK 4, N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
Authors:Rouge, L., Wang, W.
Deposit date:2015-05-22
Release date:2015-07-01
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.903 Å)
Cite:Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4NNO
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CRYSTAL STRUCTURE OF MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN MNTC FROM STAPHYLOCOCCUS AUREUS BOUND TO A ZINC ION
Descriptor:Lipoprotein, ZINC ION
Authors:Rouge, L., Ahuja, S., Sudhamsu, J.
Deposit date:2013-11-18
Release date:2014-11-26
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.174 Å)
Cite:CRYSTAL STRUCTURE OF MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING PROTEIN MNTC FROM STAPHYLOCOCCUS AUREUS BOUND TO A ZINC ION
To be Published
4NNP
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CRYSTAL STRUCTURE OF APO MANGANESE ABC TRANSPORTER MNTC FROM STAPHYLOCOCCUS AUREUS BOUND TO AN ANTAGONISTIC FAB FRAGMENT
Descriptor:Lipoprotein, Heavy chain of antagonistic fab fragment, Light chain of antagonistic fab fragment
Authors:Rouge, L., Sudhamsu, J.
Deposit date:2013-11-18
Release date:2014-12-10
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural Insights into Antibody Inhibition of the Staphylococcus aureus MntABC Mn2+ Import Pathway
To be Published
4O0R
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BACK POCKET FLEXIBILITY PROVIDES GROUP-II PAK SELECTIVITY FOR TYPE 1 KINASE INHIBITORS
Descriptor:Serine/threonine-protein kinase PAK 1, PF-3758309
Authors:Rouge, L., Tam, C., Wang, W.
Deposit date:2013-12-14
Release date:2014-02-12
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
4O0V
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BACK POCKET FLEXIBILITY PROVIDES GROUP-II PAK SELECTIVITY FOR TYPE 1 KINASE INHIBITORS
Descriptor:Serine/threonine-protein kinase PAK 4, 1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1H-benzimidazol-6-yl}ethynyl)cyclohexanol
Authors:Rouge, L., Tam, C., Wang, W.
Deposit date:2013-12-14
Release date:2014-02-12
Last modified:2014-02-26
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
4O0X
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BACK POCKET FLEXIBILITY PROVIDES GROUP-II PAK SELECTIVITY FOR TYPE 1 KINASE INHIBITORS
Descriptor:Serine/threonine-protein kinase PAK 4, 1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol
Authors:Rouge, L., Tam, C., Wang, W.
Deposit date:2013-12-14
Release date:2014-02-12
Last modified:2014-11-05
Method:X-RAY DIFFRACTION (2.483 Å)
Cite:Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
4O0Y
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BACK POCKET FLEXIBILITY PROVIDES GROUP-II PAK SELECTIVITY FOR TYPE 1 KINASE INHIBITORS
Descriptor:Serine/threonine-protein kinase PAK 4, 4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1H-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol
Authors:Rouge, L., Tam, C., Wang, W.
Deposit date:2013-12-14
Release date:2014-02-12
Last modified:2014-02-26
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
5J7T
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MOLECULAR UNDERSTANDING OF USP7 SUBSTRATE RECOGNITION AND C-TERMINAL ACTIVATION
Descriptor:Ubiquitin carboxyl-terminal hydrolase 7
Authors:Murray, J.M., Rouge, L.
Deposit date:2016-04-06
Release date:2016-08-10
Method:X-RAY DIFFRACTION (3.2001 Å)
Cite:Molecular Understanding of USP7 Substrate Recognition and C-Terminal Activation.
Structure, 24, 2016
5JTJ
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USP7CD-CTP IN COMPLEX WITH UBIQUITIN
Descriptor:Ubiquitin carboxyl-terminal hydrolase 7,Ubiquitin carboxyl-terminal hydrolase 7, Polyubiquitin-B, CALCIUM ION
Authors:Murray, J.M., Rouge, L.
Deposit date:2016-05-09
Release date:2016-08-10
Last modified:2016-08-17
Method:X-RAY DIFFRACTION (3.321 Å)
Cite:Molecular Understanding of USP7 Substrate Recognition and C-Terminal Activation.
Structure, 24, 2016
5JTV
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USP7CD-UBL45 IN COMPLEX WITH UBIQUITIN
Descriptor:Ubiquitin carboxyl-terminal hydrolase 7, Polyubiquitin-B
Authors:Murray, J.M., Rouge, L.
Deposit date:2016-05-09
Release date:2016-10-12
Method:X-RAY DIFFRACTION (3.312 Å)
Cite:Molecular Understanding of USP7 Substrate Recognition and C-Terminal Activation.
Structure, 24, 2016
5KYB
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CRYSTAL STRUCTURE OF THE APO-FORM OF USP7 CATALYTIC DOMAIN [V302K] MUTANT
Descriptor:Ubiquitin carboxyl-terminal hydrolase 7, GLYCEROL
Authors:Rouge, L., Ozen, A.
Deposit date:2016-07-21
Release date:2017-08-09
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Selectively Modulating Conformational States of USP7 Catalytic Domain for Activation.
Structure, 26, 2018
5KYC
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CRYSTAL STRUCTURE OF USP7 CATALYTIC DOMAIN [V302K] MUTANT IN COMPLEX WITH UBIQUITIN (MALONATE BOUND)
Descriptor:Ubiquitin carboxyl-terminal hydrolase 7, Polyubiquitin-B, MALONIC ACID, ...
Authors:Rouge, L., Ozen, A.
Deposit date:2016-07-21
Release date:2017-08-09
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.426 Å)
Cite:Selectively Modulating Conformational States of USP7 Catalytic Domain for Activation.
Structure, 26, 2018
5KYD
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CRYSTAL STRUCTURE OF USP7 CATALYTIC DOMAIN [V302K] MUTANT IN COMPLEX WITH UBIQUITIN
Descriptor:Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Rouge, L., Ozen, A.
Deposit date:2016-07-21
Release date:2017-08-09
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Selectively Modulating Conformational States of USP7 Catalytic Domain for Activation.
Structure, 26, 2018
5KYE
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CRYSTAL STRUCTURE OF USP7 CATALYTIC DOMAIN [H294E] MUTANT IN COMPLEX WITH UBIQUITIN
Descriptor:Ubiquitin carboxyl-terminal hydrolase 7, Polyubiquitin-B, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
Authors:Rouge, L., Ozen, A.
Deposit date:2016-07-21
Release date:2017-08-09
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Selectively Modulating Conformational States of USP7 Catalytic Domain for Activation.
Structure, 26, 2018
5KYF
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CRYSTAL STRUCTURE OF USP7 CATALYTIC DOMAIN [L299A] MUTANT IN COMPLEX WITH UBIQUITIN
Descriptor:Ubiquitin carboxyl-terminal hydrolase 7, Polyubiquitin-B, GLYCEROL
Authors:Rouge, L., Ozen, A.
Deposit date:2016-07-21
Release date:2017-08-09
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Selectively Modulating Conformational States of USP7 Catalytic Domain for Activation.
Structure, 26, 2018
6B16
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P21-ACTIVATED KINASE 1 IN COMPLEX WITH A 4-AZAINDOLE INHIBITOR
Descriptor:Serine/threonine-protein kinase PAK 1, N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-[(1S)-1-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine, SULFATE ION
Authors:Rouge, L., Wang, W.
Deposit date:2017-09-16
Release date:2017-10-25
Method:X-RAY DIFFRACTION (2.285 Å)
Cite:Synthesis and evaluation of a series of 4-azaindole-containing p21-activated kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
4J6I
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DISCOVERY OF THIAZOLOBENZOXEPIN PI3-KINASE INHIBITORS THAT SPARE THE PI3-KINASE BETA ISOFORM
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1H-pyrazol-1-yl)propan-2-ol
Authors:Murray, J.M., Rouge, L., Wu, P.
Deposit date:2013-02-11
Release date:2013-08-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform.
Bioorg.Med.Chem.Lett., 23, 2013
3UCR
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CRYSTAL STRUCTURE OF THE IMMUNORECEPTOR TIGIT IGV DOMAIN
Descriptor:T cell immunoreceptor with Ig and ITIM domains, CHLORIDE ION
Authors:Yin, J.P., Stengel, K.F., Rouge, L., Bazan, J.F., Wiesmann, C.
Deposit date:2011-10-27
Release date:2012-03-14
Last modified:2012-04-25
Method:X-RAY DIFFRACTION (2.627 Å)
Cite:Structure of TIGIT immunoreceptor bound to poliovirus receptor reveals a cell-cell adhesion and signaling mechanism that requires cis-trans receptor clustering.
Proc.Natl.Acad.Sci.USA, 109, 2012
4HJK
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U7UB7 DISULFIDE VARIANT
Descriptor:Ubiquitin, PHOSPHATE ION
Authors:Murray, J.M., Rouge, L.
Deposit date:2012-10-12
Release date:2012-11-21
Method:X-RAY DIFFRACTION (1.784 Å)
Cite:Potent and selective inhibitors of USP7/HAUSP activity by protein conformational stabilization
to be published
4HK2
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U7UB25.2540
Descriptor:Ubiquitin, SULFATE ION
Authors:Murray, J.M., Rouge, L.
Deposit date:2012-10-14
Release date:2012-11-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Potent and selective inhibitors of USP7/HAUSP activity by protein conformational stabilization
to be published
4HLE
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COMPOUND 21 (1-ALKYL-SUBSTITUTED 1,2,4-TRIAZOLES)
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide
Authors:Murray, J.M., Rouge, L., Wu, P.
Deposit date:2012-10-16
Release date:2013-01-09
Last modified:2013-01-30
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Cis-Amide isosteric replacement in thienobenzoxepin inhibitors of PI3-kinase.
Bioorg.Med.Chem.Lett., 23, 2013
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:Ubiquitin carboxyl-terminal hydrolase 7, 4-[2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl]phenol
Authors:Murray, J.M., Rouge, L.
Deposit date:2017-02-08
Release date:2017-10-25
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:USP7 small-molecule inhibitors interfere with ubiquitin binding.
Nature, 550, 2017
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