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4XX5
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BU of 4xx5 by Molmil
Structure of PI3K gamma in complex with an inhibitor
分子名称: N-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M.
登録日2015-01-29
公開日2015-08-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structure of PI3K gamma in complex with an inhibitor
To Be Published
4XZ4
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BU of 4xz4 by Molmil
Structure of PI3K gamma in complex with an inhibitor
分子名称: N-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M.
登録日2015-02-03
公開日2016-02-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of PI3K gamma in complex with an inhibitor
To Be Published
1GYQ
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BU of 1gyq by Molmil
CRYSTAL STRUCTURE OF GLYCOSOMAL GLYCERALDEHYDE FROM LEISHMANIA MEXICANA IN COMPLEX WITH N6-BENZYL-NAD
分子名称: N6-BENZYL-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE)
著者Suresh, S, Hol, W.
登録日1999-03-05
公開日1999-03-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure-based design of submicromolar, biologically active inhibitors of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase.
Proc.Natl.Acad.Sci.USA, 96, 1999
2OJG
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BU of 2ojg by Molmil
Crystal structure of ERK2 in complex with N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
分子名称: Mitogen-activated protein kinase 1, N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
著者Xie, X, Jacobs, M.D.
登録日2007-01-12
公開日2007-02-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OJI
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BU of 2oji by Molmil
Crystal structure of ERK2 in complex with N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
分子名称: Mitogen-activated protein kinase 1, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
著者Xie, X, Jacobs, M.D.
登録日2007-01-12
公開日2007-02-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OK1
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BU of 2ok1 by Molmil
Crystal structure of JNK3 bound to N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
分子名称: Mitogen-activated protein kinase 10, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE
著者Xie, X, Jacobs, M.D.
登録日2007-01-15
公開日2007-02-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OJJ
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BU of 2ojj by Molmil
Crystal structure of ERK2 in complex with (S)-N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
分子名称: (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, Mitogen-activated protein kinase 1, SULFATE ION
著者Xie, X, Jacobs, M.D.
登録日2007-01-12
公開日2007-02-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
3I60
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BU of 3i60 by Molmil
Crystal structure of ERK2 bound to (S)-4-(2-(2-chlorophenylamino)-5-methylpyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide
分子名称: 4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
著者Jacobs, M.D, Xie, X.
登録日2009-07-06
公開日2010-01-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
3I5Z
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BU of 3i5z by Molmil
Crystal structure of ERK2 bound to (S)-N-(2-hydroxy-1-phenylethyl)-4-(5-methyl-2-(phenylamino)pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
分子名称: Mitogen-activated protein kinase 1, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide, SULFATE ION
著者Jacobs, M.D, Xie, X.
登録日2009-07-06
公開日2010-01-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
3I4B
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BU of 3i4b by Molmil
Crystal structure of GSK3b in complex with a pyrimidylpyrrole inhibitor
分子名称: Glycogen synthase kinase-3 beta, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
著者Ter Haar, E.
登録日2009-07-01
公開日2010-01-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
5J40
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BU of 5j40 by Molmil
The X-ray structure of JCV Helicase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, SULFATE ION, ...
著者Ter Haar, E.
登録日2016-03-31
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
5J4Y
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BU of 5j4y by Molmil
The crystal structure of N-(4-(2-(thiazolo[5,4-c]pyridin-2-yl)phenoxy)phenyl)acetamide bound to JCV Helicase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, N-{4-[2-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenoxy]phenyl}acetamide, ...
著者Ter Haar, E.
登録日2016-04-01
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
6C1S
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BU of 6c1s by Molmil
Phosphoinositide 3-Kinase gamma bound to an pyrrolopyridinone Inhibitor
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, {4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1H-pyrazol-1-yl}acetonitrile
著者Jacobs, M.D, Griffin, J.P.
登録日2018-01-05
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Design and Synthesis of a Novel Series of Orally Bioavailable, CNS-Penetrant, Isoform Selective Phosphoinositide 3-Kinase gamma (PI3K gamma ) Inhibitors with Potential for the Treatment of Multiple Sclerosis (MS).
J. Med. Chem., 61, 2018
5J47
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BU of 5j47 by Molmil
The X-ray structure of Inhibitor Bound to JCV Helicase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-phenoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, Large T antigen, ...
著者Ter Haar, E.
登録日2016-03-31
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
5J4V
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BU of 5j4v by Molmil
The crystal structure of Inhibitor Bound to JCV Helicase
分子名称: 2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, ...
著者Ter Haar, E.
登録日2016-04-01
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
4PS7
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BU of 4ps7 by Molmil
Structure of PI3K gamma in complex with N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
分子名称: N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Griffith, J.P.
登録日2014-03-06
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structural Basis for Isoform Selectivity in a Class of Benzothiazole Inhibitors of Phosphoinositide 3-Kinase gamma.
J.Med.Chem., 58, 2015
4PS3
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BU of 4ps3 by Molmil
Structure of PI3K gamma in complex with 1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-yl)ethyl]urea
分子名称: 1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-yl)ethyl]urea, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Griffith, J.P.
登録日2014-03-06
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Basis for Isoform Selectivity in a Class of Benzothiazole Inhibitors of Phosphoinositide 3-Kinase gamma.
J.Med.Chem., 58, 2015
7KKE
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BU of 7kke by Molmil
Phosphoinositide 3-Kinase gamma bound to a thiazole inhibitor
分子名称: N-[2-(3,3-dimethylbutoxy)ethyl]-N'-{4-methyl-5-[(pyridin-4-yl)ethynyl]-1,3-thiazol-2-yl}urea, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Jacobs, M.D, Griffith, J.P.
登録日2020-10-27
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Discovery of a Novel Series of Potent and Selective Alkynylthiazole-Derived PI3K gamma Inhibitors.
Acs Med.Chem.Lett., 12, 2021
4PS8
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BU of 4ps8 by Molmil
Structure of PI3K gamma in complex with N-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide
分子名称: N-[6-(5,6-dimethoxypyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Griffith, J.P.
登録日2014-03-06
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structural Basis for Isoform Selectivity in a Class of Benzothiazole Inhibitors of Phosphoinositide 3-Kinase gamma.
J.Med.Chem., 58, 2015

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