2G12
| Photolyzed CO L29F Myoglobin: 316ns | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | Deposit date: | 2006-02-13 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Time-dependent atomic coordinates for the dissociation of carbon monoxide from myoglobin. ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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2G11
| Photolyzed CO L29F Myoglobin: 31.6ns | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | Deposit date: | 2006-02-13 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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 | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | Deposit date: | 2006-02-13 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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 | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | Deposit date: | 2006-02-13 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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 | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | Deposit date: | 2006-02-13 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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 | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | Deposit date: | 2006-02-13 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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 | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | Deposit date: | 2006-02-13 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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 | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | Deposit date: | 2006-02-13 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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 | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | Deposit date: | 2006-02-13 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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 | Descriptor: | ACETYL GROUP, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha, ... | Authors: | Aranda IV, R, Cai, H, Levin, E.J, Richards, M.P, Phillips Jr, G.N. | Deposit date: | 2007-12-02 | Release date: | 2008-09-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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 | Descriptor: | ACETYL GROUP, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha, ... | Authors: | Aranda IV, R, Cai, H, Levin, E.J, Richards, M.P, Phillips Jr, G.N. | Deposit date: | 2007-12-02 | Release date: | 2008-09-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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 | Descriptor: | ACETYL GROUP, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha, ... | Authors: | Aranda IV, R, Cai, H, Levin, E.J, Richards, M.P, Phillips Jr, G.N. | Deposit date: | 2007-12-02 | Release date: | 2008-09-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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 | Descriptor: | 1,2-ETHANEDIOL, Hemoglobin subunit alpha-4, Hemoglobin subunit beta-4, ... | Authors: | Aranda IV, R, Worley, C.E, Richards, M.P, Phillips Jr, G.N. | Deposit date: | 2007-08-22 | Release date: | 2008-09-02 | Last modified: | 2013-01-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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 | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Aranda IV, R, Richards, M.P, Phillips Jr, G.N. | Deposit date: | 2007-07-31 | Release date: | 2008-09-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | 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 | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Aranda IV, R, Richards, M.P, Phillips Jr, G.N. | Deposit date: | 2007-07-31 | Release date: | 2008-09-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 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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7UOH
| PRMT5/MEP50 crystal structure with MTA and an achiral, class 1, non-atropisomeric inhibitor bound | Descriptor: | (2M)-2-[(4M)-4-{4-(aminomethyl)-1-oxo-8-[(2R)-oxolan-2-yl]-1,2-dihydrophthalazin-6-yl}-1-methyl-1H-pyrazol-5-yl]-1-benzothiophene-3-carbonitrile, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ... | Authors: | Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Kulyk, S, Smith, C.R, Marx, M.A. | Deposit date: | 2022-04-12 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design and evaluation of achiral, non-atropisomeric 4-(aminomethyl)phthalazin-1(2H)-one derivatives as novel PRMT5/MTA inhibitors. Bioorg.Med.Chem., 71, 2022
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1JW8
| 1.3 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF P6 FORM OF MYOGLOBIN | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Phillips Jr, G.N. | Deposit date: | 2001-09-03 | Release date: | 2001-10-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Sampling of the native conformational ensemble of myoglobin via structures in different crystalline environments. Proteins, 70, 2008
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8V8I
| PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket (compound 5). | Descriptor: | (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, ... | Authors: | Gunn, R.J, Lawson, J.D. | Deposit date: | 2023-12-05 | Release date: | 2024-03-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 2024
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8V8U
| PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 12). | Descriptor: | (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, ... | Authors: | Gunn, R.J, Lawson, J.D. | Deposit date: | 2023-12-06 | Release date: | 2024-03-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 2024
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8V8V
| PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 7). | Descriptor: | (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, ... | Authors: | Gunn, R.J, Lawson, J.D. | Deposit date: | 2023-12-06 | Release date: | 2024-03-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 2024
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8V8J
| PI3Ka H1047R co-crystal structure with inhibitors in two cryptic pockets (compounds 4 and 5). | Descriptor: | (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, ... | Authors: | Gunn, R.J, Lawson, J.D. | Deposit date: | 2023-12-05 | Release date: | 2024-03-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 2024
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8V8H
| PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 4). | Descriptor: | (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, ... | Authors: | Gunn, R.J, Lawson, J.D. | Deposit date: | 2023-12-05 | Release date: | 2024-03-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.58 Å) | Cite: | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 2024
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1U7S
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1U7R
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7S1Q
| PRMT5/MEP50 crystal structure with MTA and a phthalazinone inhibitor bound (Compound 9) | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, Protein arginine N-methyltransferase 5, ... | Authors: | Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Smith, C.R, Kulyk, S, Marx, M.A. | Deposit date: | 2021-09-02 | Release date: | 2022-01-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | 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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