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PDB: 39 件
2OIB
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BU of 2oib by Molmil
Crystal structure of IRAK4 kinase domain apo form
分子名称: Interleukin-1 receptor-associated kinase 4
著者Kuglstatter, A, Villasenor, A.G, Browner, M.F.
登録日2007-01-10
公開日2007-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cutting Edge: IL-1 Receptor-Associated Kinase 4 Structures Reveal Novel Features and Multiple Conformations.
J.Immunol., 178, 2007
2OIC
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BU of 2oic by Molmil
Crystal structure of IRAK4 kinase domain complexed with staurosporine
分子名称: Interleukin-1 receptor-associated kinase 4, STAUROSPORINE
著者Kuglstatter, A, Villasenor, A.G, Browner, M.F.
登録日2007-01-10
公開日2007-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Cutting Edge: IL-1 Receptor-Associated Kinase 4 Structures Reveal Novel Features and Multiple Conformations.
J.Immunol., 178, 2007
2OID
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BU of 2oid by Molmil
Crystal structure of IRAK4 kinase domain complexed with AMPPNP
分子名称: Interleukin-1 receptor-associated kinase 4, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Kuglstatter, A, Villasenor, A.G, Browner, M.F.
登録日2007-01-10
公開日2007-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cutting Edge: IL-1 Receptor-Associated Kinase 4 Structures Reveal Novel Features and Multiple Conformations.
J.Immunol., 178, 2007
4FYN
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BU of 4fyn by Molmil
Crystal structure of spleen tyrosine kinase complexed with 3-(8-{4-[Ethyl-(2-hydroxy-ethyl)-amino]-phenylamino}-imidazo[1,2-a]pyrazin-5-yl)-phenol
分子名称: 3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Villasenor, A.G.
登録日2012-07-05
公開日2013-01-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.318 Å)
主引用文献Rational design of highly selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 55, 2012
3MJ1
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BU of 3mj1 by Molmil
X-ray crystal structure of ITK complexed with inhibitor RO5191614
分子名称: 7-[(4-methylpiperazin-1-yl)methyl]-4-[(3-methyl-1H-pyrazol-5-yl)amino]-2-(tetrahydro-2H-pyran-4-yl)phthalazin-1(2H)-one, Tyrosine-protein kinase ITK/TSK
著者Kuglstatter, A, Villasenor, A.G.
登録日2010-04-12
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal structures of IL-2-inducible T cell kinase complexed with inhibitors: insights into rational drug design and activity regulation.
Chem.Biol.Drug Des., 76, 2010
3MIY
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BU of 3miy by Molmil
X-ray crystal structure of ITK complexed with sunitinib
分子名称: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, Tyrosine-protein kinase ITK/TSK
著者Kuglstatter, A, Villasenor, A.G.
登録日2010-04-12
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Crystal structures of IL-2-inducible T cell kinase complexed with inhibitors: insights into rational drug design and activity regulation.
Chem.Biol.Drug Des., 76, 2010
3MJ2
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BU of 3mj2 by Molmil
X-ray crystal structure of ITK complexed with inhibitor BMS-509744
分子名称: N-[5-({5-[(4-acetylpiperazin-1-yl)carbonyl]-4-methoxy-2-methylphenyl}sulfanyl)-1,3-thiazol-2-yl]-4-({[(1S)-1,2,2-trimethylpropyl]amino}methyl)benzamide, Tyrosine-protein kinase ITK/TSK
著者Kuglstatter, A, Villasenor, A.G.
登録日2010-04-12
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of IL-2-inducible T cell kinase complexed with inhibitors: insights into rational drug design and activity regulation.
Chem.Biol.Drug Des., 76, 2010
3E7O
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BU of 3e7o by Molmil
Crystal Structure of JNK2
分子名称: Mitogen-activated protein kinase 9, N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide
著者Kuglstatter, A, Villasenor, A.G.
登録日2008-08-18
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献The crystal structure of JNK2 reveals conformational flexibility in the MAP kinase insert and indicates its involvement in the regulation of catalytic activity.
J.Mol.Biol., 383, 2008
3DI6
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BU of 3di6 by Molmil
HIV-1 RT with pyridazinone non-nucleoside inhibitor
分子名称: 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one, Reverse transcriptase/ribonuclease H, p51 RT
著者Harris, S.F, Villasenor, A, Dunten, P.
登録日2008-06-19
公開日2008-08-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and optimization of pyridazinone non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 18, 2008
3FQE
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BU of 3fqe by Molmil
Crystal structure of spleen tyrosine kinase complexed with YM193306
分子名称: 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Villasenor, A.G.
登録日2009-01-07
公開日2009-03-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights for design of potent spleen tyrosine kinase inhibitors from crystallographic analysis of three inhibitor complexes.
Chem.Biol.Drug Des., 73, 2009
6BAB
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BU of 6bab by Molmil
The structure of human CamKII with bound inhibitor
分子名称: Calcium/calmodulin-dependent protein kinase type II subunit delta, L(+)-TARTARIC ACID, N-[(2S)-2-(diethylamino)propyl]-2-(3-hydroxyazetidin-1-yl)-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide
著者Somoza, J.R, Villasenor, A.G.
登録日2017-10-12
公開日2017-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献TBD
To Be Published
5DFW
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BU of 5dfw by Molmil
CRYSTAL STRUCTURE OF HUMAN CD81 LARGE EXTRACELLULAR LOOP IN COMPLEX WITH SINGLE CHAIN FV FRAGMENT K13
分子名称: CD81 antigen, SINGLE CHAIN FV FRAGMENT
著者Harris, S.F, Villasenor, A, Kuglstatter, A.
登録日2015-08-27
公開日2015-12-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献VH-VL orientation prediction for antibody humanization candidate selection: A case study.
Mabs, 8, 2016
3FFI
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BU of 3ffi by Molmil
HIV-1 RT with pyridone non-nucleoside inhibitor
分子名称: 3-chloro-5-({6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydropyridin-4-yl}oxy)benzonitrile, RT p51, Reverse transcriptase/ribonuclease H
著者Harris, S.F, Villasenor, A.
登録日2008-12-03
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Pyridone Diaryl Ether Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase
To be Published
3FSK
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BU of 3fsk by Molmil
P38 kinase crystal structure in complex with RO6257
分子名称: 3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Bertrand, J, Takahara, P, Villasenor, A.
登録日2009-01-09
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
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件を2024-10-30に公開中

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