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PDB: 16 件
1LGX
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BU of 1lgx by Molmil
T4 Lysozyme Mutant L99A/M102Q Bound by 3,5-difluoroaniline
分子名称: 3,5-DIFLUOROANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
登録日2002-04-16
公開日2002-05-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
1LI6
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BU of 1li6 by Molmil
T4 lysozyme mutant L99A/M102Q bound by 5-methylpyrrole
分子名称: 5-METHYLPYRROLE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
登録日2002-04-17
公開日2002-05-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
1LI3
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BU of 1li3 by Molmil
T4 lysozyme mutant L99A/M102Q bound by 3-chlorophenol
分子名称: 3-CHLOROPHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
登録日2002-04-17
公開日2002-05-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
1LI2
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BU of 1li2 by Molmil
T4 Lysozyme Mutant L99A/M102Q Bound by Phenol
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ...
著者Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
登録日2002-04-17
公開日2002-05-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
1OWZ
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BU of 1owz by Molmil
T4 Lysozyme Cavity Mutant L99A/M102Q Bound With 4-FluoroPhenEthyl Alcohol
分子名称: 4-FLUOROPHENETHYL ALCOHOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
登録日2003-03-31
公開日2004-04-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
1OVK
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BU of 1ovk by Molmil
T4 Lysozyme Cavity Mutant L99A/M102Q Bound with N-Allyl-Aniline
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ...
著者Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
登録日2003-03-26
公開日2004-04-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
1OV5
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BU of 1ov5 by Molmil
T4 Lysozyme Cavity Mutant L99a/M102Q Bound With 2-Allylphenol
分子名称: 2-ALLYLPHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
登録日2003-03-25
公開日2004-04-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
1OV7
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BU of 1ov7 by Molmil
T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 2-Allyl-6-Methyl-Phenol
分子名称: 2-ALLYL-6-METHYL-PHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
登録日2003-03-25
公開日2004-04-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
1OVJ
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BU of 1ovj by Molmil
T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2-Methyl_Aniline
分子名称: 3-FLUORO-2-METHYL-ANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
登録日2003-03-26
公開日2004-04-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
1OVH
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BU of 1ovh by Molmil
T4 Lysozyme Cavity Mutant L99A/M102Q Bound With 2-Chloro-6-Methyl-Aniline
分子名称: 2-CHLORO-6-METHYL-ANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
登録日2003-03-26
公開日2004-04-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
1OWY
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BU of 1owy by Molmil
T4 Lysozyme Cavity Mutant L99A/M102Q Bound With 2-Propyl-Aniline
分子名称: 2-PROPYL-ANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
登録日2003-03-31
公開日2004-04-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
1LGW
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BU of 1lgw by Molmil
T4 Lysozyme Mutant L99A/M102Q Bound by 2-fluoroaniline
分子名称: 2-FLUOROANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
登録日2002-04-16
公開日2002-05-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
1LGU
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BU of 1lgu by Molmil
T4 Lysozyme Mutant L99A/M102Q
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme
著者Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
登録日2002-04-16
公開日2002-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
5DXU
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BU of 5dxu by Molmil
p110delta/p85alpha with GDC-0326
分子名称: (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A.
登録日2015-09-23
公開日2016-01-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016
5DXH
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BU of 5dxh by Molmil
p110alpha/p85alpha with compound 5
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, methyl {2-[4-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate
著者Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A.
登録日2015-09-23
公開日2016-01-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016
5DXT
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BU of 5dxt by Molmil
p110alpha with GDC-0326
分子名称: (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, 1,2-ETHANEDIOL, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A.
登録日2015-09-23
公開日2016-01-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016

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件を2024-05-08に公開中

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