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PDB: 17 件

6DGT
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Selective PI3K beta inhibitor bound to PI3K delta
分子名称: 4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Somoza, J, Villasenor, A, McGrath, M.
登録日2018-05-18
公開日2018-08-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Atropisomerism by Design: Discovery of a Selective and Stable Phosphoinositide 3-Kinase (PI3K) beta Inhibitor.
J. Med. Chem., 61, 2018
4XE0
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BU of 4xe0 by Molmil
Idelalisib bound to the p110 subunit of PI3K delta
分子名称: 5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4(3H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Somoza, J.R, Villasenor, A.
登録日2014-12-20
公開日2015-02-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.434 Å)
主引用文献Structural, Biochemical, and Biophysical Characterization of Idelalisib Binding to Phosphoinositide 3-Kinase delta.
J.Biol.Chem., 290, 2015
1LOX
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BU of 1lox by Molmil
RABBIT RETICULOCYTE 15-LIPOXYGENASE
分子名称: (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID, 15-LIPOXYGENASE, FE (II) ION
著者Gillmor, S.A, Villasenor, A, Fletterick, R.J, Sigal, E, Browner, M.F.
登録日1997-10-06
公開日1998-11-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structure of mammalian 15-lipoxygenase reveals similarity to the lipases and the determinants of substrate specificity.
Nat.Struct.Biol., 4, 1997
1OZ1
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BU of 1oz1 by Molmil
P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR
分子名称: 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL, Mitogen-activated protein kinase 14
著者Lovejoy, B, Villasenor, A, Browner, M, Dunten, P.
登録日2003-04-07
公開日2003-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase.
J.Med.Chem., 46, 2003
2GFS
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BU of 2gfs by Molmil
P38 Kinase Crystal Structure in complex with RO3201195
分子名称: Mitogen-Activated Protein Kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
著者Harris, S.F, Bertrand, J, Villasenor, A.
登録日2006-03-23
公開日2006-04-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Discovery of S-[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2,3-dihydroxypropoxy)phenyl]-methanone (RO3201195), and Orally Bioavailable and Highly Selective Inhibitor of p38 Map Kinase
J.Med.Chem., 49, 2006
5T7F
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BU of 5t7f by Molmil
PI3Kdelta in complex with the inhibitor GS-643624
分子名称: 2,4-bis(azanyl)-6-[[(1~{S})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Somoza, J.R, Villasenor, A.
登録日2016-09-04
公開日2016-12-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd
To Be Published
5T8I
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PI3Kdelta in complex with the inhibitor GS-9901
分子名称: 2,4-diamino-6-{[(S)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Somoza, J.R, Villasenor, A.
登録日2016-09-07
公開日2016-12-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd
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2016-03-02
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
3E01
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HIV-RT with non-nucleoside inhibitor annulated pyrazole 2
分子名称: 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile, Gag-Pol polyprotein
著者Harris, S.F, Villasenor, A.
登録日2008-07-30
公開日2008-11-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase
J.Med.Chem., 51, 2008
3DYA
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BU of 3dya by Molmil
HIV-1 RT with non-nucleoside inhibitor annulated Pyrazole 1
分子名称: 3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile, REVERSE TRANSCRIPTASE/RIBONUCLEASE H, p51 RT
著者Harris, S.F, Villasenor, A.
登録日2008-07-25
公開日2008-11-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase
J.Med.Chem., 51, 2008
6EJM
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BU of 6ejm by Molmil
CRYSTAL STRUCTURE OF HUMAN CD81 LARGE EXTRACELLULAR LOOP IN COMPLEX WITH SINGLE CHAIN FV FRAGMENT 5
分子名称: CD81 antigen, SINGLE CHAIN FV FRAGMENT
著者Kuglstatter, A, Harris, S.F, Villasenor, A.
登録日2017-09-22
公開日2018-05-30
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Guided Combinatorial Engineering Facilitates Affinity and Specificity Optimization of Anti-CD81 Antibodies.
J. Mol. Biol., 430, 2018
6EK2
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BU of 6ek2 by Molmil
CRYSTAL STRUCTURE OF HUMAN CD81 LARGE EXTRACELLULAR LOOP IN COMPLEX WITH SINGLE CHAIN FV FRAGMENT 10
分子名称: CD81 antigen, SINGLE CHAIN FV FRAGMENT
著者Harris, S.F, Villasenor, A, Kuglstatter, A.
登録日2017-09-25
公開日2018-05-30
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure-Guided Combinatorial Engineering Facilitates Affinity and Specificity Optimization of Anti-CD81 Antibodies.
J. Mol. Biol., 430, 2018
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
3M8P
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BU of 3m8p by Molmil
HIV-1 RT with NNRTI TMC-125
分子名称: 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, Reverse transcriptase/ribonuclease H, p51 RT
著者Harris, S.F, Villasenor, A.
登録日2010-03-18
公開日2010-05-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses.
Bioorg.Med.Chem.Lett., 20, 2010
3M8Q
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BU of 3m8q by Molmil
HIV-1 RT with AMINOPYRIMIDINE NNRTI
分子名称: 3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Harris, S.F, Villasenor, A.
登録日2010-03-18
公開日2010-05-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses.
Bioorg.Med.Chem.Lett., 20, 2010
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
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

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件を2024-08-21に公開中

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