2G11
 
 | | Photolyzed CO L29F Myoglobin: 31.6ns | | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | | 登録日 | 2006-02-13 | | 公開日 | 2006-07-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Time-dependent atomic coordinates for the dissociation of carbon monoxide from myoglobin.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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2G12
 | | Photolyzed CO L29F Myoglobin: 316ns | | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | | 登録日 | 2006-02-13 | | 公開日 | 2006-07-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Time-dependent atomic coordinates for the dissociation of carbon monoxide from myoglobin.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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2G0R
 | | Unphotolyzed CO-bound L29F Myoglobin | | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | | 登録日 | 2006-02-13 | | 公開日 | 2006-07-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Time-dependent atomic coordinates for the dissociation of carbon monoxide from myoglobin.
Acta Crystallogr.,Sect.D, 62, 2006
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2G0S
 | | Unphotolyzed CO-bound L29F Myoglobin, crystal 2 | | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | | 登録日 | 2006-02-13 | | 公開日 | 2006-07-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Time-dependent atomic coordinates for the dissociation of carbon monoxide from myoglobin.
Acta Crystallogr.,Sect.D, 62, 2006
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2G0Z
 | | Photolyzed CO L29F Myoglobin: 1ns | | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | | 登録日 | 2006-02-13 | | 公開日 | 2006-07-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Time-dependent atomic coordinates for the dissociation of carbon monoxide from myoglobin.
Acta Crystallogr.,Sect.D, 62, 2006
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2G0V
 | | Photolyzed CO L29F Myoglobin: 100ps | | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | | 登録日 | 2006-02-13 | | 公開日 | 2006-07-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Time-dependent atomic coordinates for the dissociation of carbon monoxide from myoglobin.
Acta Crystallogr.,Sect.D, 62, 2006
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2G0X
 | | Photolyzed CO L29F Myoglobin: 316ps | | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | | 登録日 | 2006-02-13 | | 公開日 | 2006-07-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Time-dependent atomic coordinates for the dissociation of carbon monoxide from myoglobin.
Acta Crystallogr.,Sect.D, 62, 2006
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2G14
 | | Photolyzed CO L29F Myoglobin: 3.16us | | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | | 登録日 | 2006-02-13 | | 公開日 | 2006-07-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Time-dependent atomic coordinates for the dissociation of carbon monoxide from myoglobin.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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2G10
 | | Photolyzed CO L29F Myoglobin: 3.16ns | | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | | 登録日 | 2006-02-13 | | 公開日 | 2006-07-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Time-dependent atomic coordinates for the dissociation of carbon monoxide from myoglobin.
Acta Crystallogr.,Sect.D, 62, 2006
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3BJ1
 | | met-Perch Hemoglobin at pH 5.7 | | 分子名称: | ACETYL GROUP, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha, ... | | 著者 | Aranda IV, R, Cai, H, Levin, E.J, Richards, M.P, Phillips Jr, G.N. | | 登録日 | 2007-12-02 | | 公開日 | 2008-09-02 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008
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3BJ2
 | | met-Perch Hemoglobin at pH 6.3 | | 分子名称: | ACETYL GROUP, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha, ... | | 著者 | Aranda IV, R, Cai, H, Levin, E.J, Richards, M.P, Phillips Jr, G.N. | | 登録日 | 2007-12-02 | | 公開日 | 2008-09-02 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008
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3BJ3
 | | met-Perch hemoglobin at pH 8.0 | | 分子名称: | ACETYL GROUP, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha, ... | | 著者 | Aranda IV, R, Cai, H, Levin, E.J, Richards, M.P, Phillips Jr, G.N. | | 登録日 | 2007-12-02 | | 公開日 | 2008-09-02 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008
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2R1H
 | | met-Trout IV hemoglobin at pH 6.3 | | 分子名称: | 1,2-ETHANEDIOL, Hemoglobin subunit alpha-4, Hemoglobin subunit beta-4, ... | | 著者 | Aranda IV, R, Worley, C.E, Richards, M.P, Phillips Jr, G.N. | | 登録日 | 2007-08-22 | | 公開日 | 2008-09-02 | | 最終更新日 | 2013-01-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008
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2QSS
 | | Bovine hemoglobin at pH 6.3 | | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Aranda IV, R, Richards, M.P, Phillips Jr, G.N. | | 登録日 | 2007-07-31 | | 公開日 | 2008-09-02 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008
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2QSP
 | | Bovine Hemoglobin at pH 5.7 | | 分子名称: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Aranda IV, R, Richards, M.P, Phillips Jr, G.N. | | 登録日 | 2007-07-31 | | 公開日 | 2008-09-02 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008
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7SER
 | | PRMT5/MEP50 with compound 30 bound | | 分子名称: | (2M)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}-1-benzothiophene-3-carbonitrile, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ... | | 著者 | Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Smith, C.R, Kulyk, S, Marx, M.A. | | 登録日 | 2021-10-01 | | 公開日 | 2022-01-26 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
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7SES
 | | PRMT5/MEP50 with compound 29 bound | | 分子名称: | (2P)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}naphthalene-1-carbonitrile, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ... | | 著者 | Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Smith, C.R, Kulyk, S, Marx, M.A. | | 登録日 | 2021-10-01 | | 公開日 | 2022-01-26 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
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1JW8
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8V8I
 | | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket (compound 5). | | 分子名称: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, CHLORIDE ION, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ... | | 著者 | Gunn, R.J, Lawson, J.D. | | 登録日 | 2023-12-05 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
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8V8U
 | | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 12). | | 分子名称: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, (3S)-9-[(1R)-1-(2-carboxyanilino)ethyl]-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | 著者 | Gunn, R.J, Lawson, J.D. | | 登録日 | 2023-12-06 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
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8V8V
 | | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 7). | | 分子名称: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, 2-[[(1~{R})-1-(7-methyl-4-oxidanylidene-2-piperidin-1-yl-3~{H}-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | 著者 | Gunn, R.J, Lawson, J.D. | | 登録日 | 2023-12-06 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
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8V8J
 | | PI3Ka H1047R co-crystal structure with inhibitors in two cryptic pockets (compounds 4 and 5). | | 分子名称: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ... | | 著者 | Gunn, R.J, Lawson, J.D. | | 登録日 | 2023-12-05 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
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8V8H
 | | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 4). | | 分子名称: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | 著者 | Gunn, R.J, Lawson, J.D. | | 登録日 | 2023-12-05 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (3.58 Å) | | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
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1U7S
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1U7R
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