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5BMS
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BU of 5bms by Molmil
Crystal structure of P21-activated kinase 4 in complex with an inhibitor compound 29
分子名称: N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase PAK 4
著者Rouge, L, Wang, W.
登録日2015-05-22
公開日2015-07-01
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.903 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4ZY6
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BU of 4zy6 by Molmil
Crystal structure of P21-activated kinase 1 in complex with an inhibitor compound 29
分子名称: N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine, SULFATE ION, Serine/threonine-protein kinase PAK 1
著者Rouge, L, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
4ZY5
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BU of 4zy5 by Molmil
Crystal Structure of p21-activated kinase 1 in complex with an inhibitor compound 17
分子名称: DIMETHYL SULFOXIDE, N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, SULFATE ION, ...
著者Rouge, L, Wang, W.
登録日2015-05-21
公開日2015-07-01
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.
J.Med.Chem., 58, 2015
5J7T
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BU of 5j7t by Molmil
Molecular Understanding of USP7 Substrate Recognition and C-Terminal Activation
分子名称: Ubiquitin carboxyl-terminal hydrolase 7
著者Murray, J.M, Rouge, L.
登録日2016-04-06
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2001 Å)
主引用文献Molecular Understanding of USP7 Substrate Recognition and C-Terminal Activation.
Structure, 24, 2016
6B16
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BU of 6b16 by Molmil
P21-activated kinase 1 in complex with a 4-azaindole inhibitor
分子名称: 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, Serine/threonine-protein kinase PAK 1
著者Rouge, L, Wang, W.
登録日2017-09-16
公開日2017-10-25
実験手法X-RAY DIFFRACTION (2.285 Å)
主引用文献Synthesis and evaluation of a series of 4-azaindole-containing p21-activated kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
5JTJ
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BU of 5jtj by Molmil
USP7CD-CTP in complex with Ubiquitin
分子名称: CALCIUM ION, Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 7,Ubiquitin carboxyl-terminal hydrolase 7
著者Murray, J.M, Rouge, L.
登録日2016-05-09
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.321 Å)
主引用文献Molecular Understanding of USP7 Substrate Recognition and C-Terminal Activation.
Structure, 24, 2016
5JTV
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BU of 5jtv by Molmil
USP7CD-UBL45 in complex with Ubiquitin
分子名称: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 7
著者Murray, J.M, Rouge, L.
登録日2016-05-09
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.312 Å)
主引用文献Molecular Understanding of USP7 Substrate Recognition and C-Terminal Activation.
Structure, 24, 2016
7RA0
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BU of 7ra0 by Molmil
LC3A in complex with Fragment 2-10
分子名称: (5-ethyl-2-methyl-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A
著者Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M.
登録日2021-06-29
公開日2022-01-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
7R9Z
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BU of 7r9z by Molmil
LC3A in complex with Fragment 2-3
分子名称: (5-fluoro-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A
著者Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M.
登録日2021-06-29
公開日2022-01-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
7R9W
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BU of 7r9w by Molmil
LC3A in complex with Fragment 1-1
分子名称: 4-phenoxybenzoic acid, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3A
著者Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M.
登録日2021-06-29
公開日2022-01-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
7S4G
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BU of 7s4g by Molmil
Fab fragment bound to the Cter peptide of Ly6G6D
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Lymphocyte antigen 6 complex locus protein G6d, ...
著者Rouge, L, Lupardus, P.
登録日2021-09-08
公開日2022-04-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel Anti-LY6G6D/CD3 T-Cell-Dependent Bispecific Antibody for the Treatment of Colorectal Cancer.
Mol.Cancer Ther., 21, 2022
5KYC
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BU of 5kyc by Molmil
Crystal structure of USP7 catalytic domain [V302K] mutant in complex with ubiquitin (malonate bound)
分子名称: GLYCEROL, MALONIC ACID, Polyubiquitin-B, ...
著者Rouge, L, Ozen, A.
登録日2016-07-21
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.426 Å)
主引用文献Selectively Modulating Conformational States of USP7 Catalytic Domain for Activation.
Structure, 26, 2018
5KYF
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BU of 5kyf by Molmil
Crystal structure of USP7 catalytic domain [L299A] mutant in complex with ubiquitin
分子名称: GLYCEROL, Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 7
著者Rouge, L, Ozen, A.
登録日2016-07-21
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Selectively Modulating Conformational States of USP7 Catalytic Domain for Activation.
Structure, 26, 2018
5KYB
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BU of 5kyb by Molmil
Crystal structure of the apo-form of USP7 catalytic domain [V302K] mutant
分子名称: GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 7
著者Rouge, L, Ozen, A.
登録日2016-07-21
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Selectively Modulating Conformational States of USP7 Catalytic Domain for Activation.
Structure, 26, 2018
5KYE
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BU of 5kye by Molmil
Crystal structure of USP7 catalytic domain [H294E] mutant in complex with ubiquitin
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 7
著者Rouge, L, Ozen, A.
登録日2016-07-21
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Selectively Modulating Conformational States of USP7 Catalytic Domain for Activation.
Structure, 26, 2018
5KYD
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BU of 5kyd by Molmil
Crystal structure of USP7 catalytic domain [V302K] mutant in complex with ubiquitin
分子名称: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 7
著者Rouge, L, Ozen, A.
登録日2016-07-21
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Selectively Modulating Conformational States of USP7 Catalytic Domain for Activation.
Structure, 26, 2018
3UDW
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BU of 3udw by Molmil
Crystal structure of the immunoreceptor TIGIT in complex with Poliovirus receptor (PVR/CD155/necl-5) D1 domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Poliovirus receptor, T cell immunoreceptor with Ig and ITIM domains
著者Rouge, L, Stengel, K.F, Yin, J.P, Bazan, F.J, Wiesmann, C.
登録日2011-10-28
公開日2012-03-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.903 Å)
主引用文献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
4NNO
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BU of 4nno by Molmil
Crystal Structure of Manganese ABC transporter substrate-binding protein MntC from Staphylococcus Aureus bound to a Zinc ion
分子名称: Lipoprotein, ZINC ION
著者Rouge, L, Ahuja, S, Sudhamsu, J.
登録日2013-11-18
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.174 Å)
主引用文献Structural analysis of bacterial ABC transporter inhibition by an antibody fragment.
Structure, 23, 2015
4O0R
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BU of 4o0r by Molmil
Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
分子名称: PF-3758309, Serine/threonine-protein kinase PAK 1
著者Rouge, L, Tam, C, Wang, W.
登録日2013-12-14
公開日2014-02-12
最終更新日2019-01-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
4NNP
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BU of 4nnp by Molmil
Crystal Structure of Apo Manganese ABC transporter MntC from Staphylococcus aureus bound to an antagonistic fab fragment
分子名称: Heavy chain of antagonistic fab fragment, Light chain of antagonistic fab fragment, Lipoprotein
著者Rouge, L, Sudhamsu, J.
登録日2013-11-18
公開日2014-12-10
最終更新日2020-05-20
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structural analysis of bacterial ABC transporter inhibition by an antibody fragment.
Structure, 23, 2015
4O0Y
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BU of 4o0y by Molmil
Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
分子名称: 4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1H-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol, Serine/threonine-protein kinase PAK 4
著者Rouge, L, Tam, C, Wang, W.
登録日2013-12-14
公開日2014-02-12
最終更新日2014-02-26
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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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BU of 4o0v by Molmil
Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
分子名称: 1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1H-benzimidazol-6-yl}ethynyl)cyclohexanol, Serine/threonine-protein kinase PAK 4
著者Rouge, L, Tam, C, Wang, W.
登録日2013-12-14
公開日2014-02-12
最終更新日2014-02-26
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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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BU of 4o0x by Molmil
Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
分子名称: 1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol, Serine/threonine-protein kinase PAK 4
著者Rouge, L, Tam, C, Wang, W.
登録日2013-12-14
公開日2014-02-12
最終更新日2014-11-05
実験手法X-RAY DIFFRACTION (2.483 Å)
主引用文献Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
6WJ5
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BU of 6wj5 by Molmil
Structure of human TRPA1 in complex with inhibitor GDC-0334
分子名称: (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1
著者Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H.
登録日2020-04-11
公開日2021-02-17
最終更新日2021-08-11
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment.
J.Exp.Med., 218, 2021
7T4R
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BU of 7t4r by Molmil
CryoEM structure of the HCMV Pentamer gH/gL/UL128/UL130/UL131A in complex with THBD and neutralizing fabs MSL-109 and 13H11
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein H, Envelope glycoprotein L, ...
著者Kschonsak, M, Johnson, M.C, Schelling, R, Green, E.M, Rouge, L, Ho, H, Patel, N, Kilic, C, Kraft, E, Arthur, C.P, Rohou, A.L, Comps-Agrar, L, Martinez-Martin, N, Perez, L, Payandeh, J, Ciferri, C.
登録日2021-12-10
公開日2022-03-23
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for HCMV Pentamer receptor recognition and antibody neutralization.
Sci Adv, 8, 2022

 

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