2N2F
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![BU of 2n2f by Molmil](/molmil-images/mine/2n2f) | Solution NMR structure of Dynorphin 1-13 bound to Kappa Opioid Receptor | 分子名称: | Dynorphin A(1-13) | 著者 | O'Connor, C, White, K, Doncescu, N, Didenko, T, Roth, B.L, Czaplicki, G, Stevens, R.C, Wuthrich, K, Milon, A. | 登録日 | 2015-05-06 | 公開日 | 2015-09-09 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structure and dynamics of the agonist dynorphin peptide bound to the human kappa opioid receptor. Proc.Natl.Acad.Sci.USA, 112, 2015
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4QHO
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![BU of 4qho by Molmil](/molmil-images/mine/4qho) | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with CCO10 | 分子名称: | Alpha-ketoglutarate-dependent dioxygenase FTO, N-{[3-hydroxy-6-(naphthalen-1-yl)pyridin-2-yl]carbonyl}glycine, ZINC ION | 著者 | Aik, W.S, Clunie-O'Connor, C, McDonough, M.A, Schofield, C.J. | 登録日 | 2014-05-28 | 公開日 | 2015-06-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors. J.Med.Chem., 64, 2021
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4Y14
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![BU of 4y14 by Molmil](/molmil-images/mine/4y14) | Structure of protein tyrosine phosphatase 1B complexed with inhibitor (PTP1B:CPT157633) | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-bromo-4-[difluoro(phosphono)methyl]-N-methyl-Nalpha-(methylsulfonyl)-L-phenylalaninamide, CHLORIDE ION, ... | 著者 | Choy, M.S, Connors, C, Page, R, Peti, W. | 登録日 | 2015-02-06 | 公開日 | 2015-08-05 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | 主引用文献 | PTP1B inhibition suggests a therapeutic strategy for Rett syndrome. J.Clin.Invest., 125, 2015
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7NRO
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![BU of 7nro by Molmil](/molmil-images/mine/7nro) | Crystal structure of AlkB in complex with manganese and N-(4-((6-((carboxymethyl)carbamoyl)-5-hydroxypyridin-2-yl)amino)phenyl)-N-oxohydroxylammonium | 分子名称: | 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION | 著者 | Shishodia, S, Maheswaran, P, Leissing, T, Aik, W.S, McDonough, M.A, Schofield, C.J. | 登録日 | 2021-03-04 | 公開日 | 2021-10-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors. J.Med.Chem., 64, 2021
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4ZZ3
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![BU of 4zz3 by Molmil](/molmil-images/mine/4zz3) | Human GAR transformylase in complex with GAR and pemetrexed | 分子名称: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | 著者 | Deis, S.M, Dann III, C.E. | 登録日 | 2015-05-22 | 公開日 | 2015-12-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.504 Å) | 主引用文献 | 6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors. J.Med.Chem., 58, 2015
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4ZZ1
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![BU of 4zz1 by Molmil](/molmil-images/mine/4zz1) | HUMAN GAR TRANSFORMYLASE IN COMPLEX WITH GAR AND (S)-2-({4-[3-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-6-YL)-PROPYL]-THIOPHENE-2-CARBONYL}-AMINO)-PENTANEDIOIC ACID | 分子名称: | (S)-2-({4-[3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-2-carbonyl}-amino)-pentanedioic acid, GLYCINAMIDE RIBONUCLEOTIDE, Trifunctional purine biosynthetic protein adenosine-3 | 著者 | Deis, S.M, Dann III, C.E. | 登録日 | 2015-05-22 | 公開日 | 2015-12-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.351 Å) | 主引用文献 | 6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors. J.Med.Chem., 58, 2015
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4ZZ2
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![BU of 4zz2 by Molmil](/molmil-images/mine/4zz2) | HUMAN GAR TRANSFORMYLASE IN COMPLEX WITH GAR AND (S)-2-({5-[3-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-6-YL)-PROPYL]-THIOPHENE-3-CARBONYL}-AMINO)-PENTANEDIOIC ACID | 分子名称: | (S)-2-({5-[3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-3-carbonyl}-amino)-pentanedioic acid, GLYCINAMIDE RIBONUCLEOTIDE, Trifunctional purine biosynthetic protein adenosine-3 | 著者 | Deis, S.M, Dann III, C.E. | 登録日 | 2015-05-22 | 公開日 | 2015-12-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.451 Å) | 主引用文献 | 6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors. J.Med.Chem., 58, 2015
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7E8Z
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![BU of 7e8z by Molmil](/molmil-images/mine/7e8z) | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with SS81 | 分子名称: | 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | 著者 | Tam, N.Y, Ng, Y.M, Shishodia, S, McDonough, M.A, Schofield, C.J, Aik, W.S. | 登録日 | 2021-03-03 | 公開日 | 2021-10-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors. J.Med.Chem., 64, 2021
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3RS3
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![BU of 3rs3 by Molmil](/molmil-images/mine/3rs3) | H-Ras soaked in neat hexane: 1 of 10 in MSCS set | 分子名称: | CALCIUM ION, GTPase HRas, HEXANE, ... | 著者 | Mattos, C, Buhrman, G, Kearney, B. | 登録日 | 2011-05-02 | 公開日 | 2011-09-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase. J.Mol.Biol., 413, 2011
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3RSL
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![BU of 3rsl by Molmil](/molmil-images/mine/3rsl) | H-Ras soaked in 90% R,S,R-bisfuranol: one of 10 in MSCS set | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-ol, CALCIUM ION, GTPase HRas, ... | 著者 | Mattos, C, Buhrman, G, Kearney, B. | 登録日 | 2011-05-02 | 公開日 | 2011-09-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase. J.Mol.Biol., 413, 2011
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3RS7
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![BU of 3rs7 by Molmil](/molmil-images/mine/3rs7) | H-Ras soaked in 50% isopropanol: 1 of 10 in MSCS set | 分子名称: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | 著者 | Mattos, C, Buhrman, G, Kearney, B. | 登録日 | 2011-05-02 | 公開日 | 2011-09-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase. J.Mol.Biol., 413, 2011
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3RRZ
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![BU of 3rrz by Molmil](/molmil-images/mine/3rrz) | H-Ras in 70% glycerol: one of 10 in MSCS set | 分子名称: | CALCIUM ION, GLYCEROL, GTPase HRas, ... | 著者 | Mattos, C, Buhrman, G, Kearney, B. | 登録日 | 2011-05-02 | 公開日 | 2011-09-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase. J.Mol.Biol., 413, 2011
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3RS5
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![BU of 3rs5 by Molmil](/molmil-images/mine/3rs5) | H-Ras soaked in 55% dimethylformamide: 1 of 10 in MSCS set | 分子名称: | CALCIUM ION, DIMETHYLFORMAMIDE, GTPase HRas, ... | 著者 | Mattos, C, Buhrman, G, Kearney, B. | 登録日 | 2011-05-02 | 公開日 | 2011-09-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase. J.Mol.Biol., 413, 2011
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3RRY
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![BU of 3rry by Molmil](/molmil-images/mine/3rry) | H-Ras crosslinked control, soaked in aqueous solution: one of 10 in MSCS set | 分子名称: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | 著者 | Mattos, C, Buhrman, G, Kearney, B. | 登録日 | 2011-05-02 | 公開日 | 2011-09-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase. J.Mol.Biol., 413, 2011
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3RS4
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![BU of 3rs4 by Molmil](/molmil-images/mine/3rs4) | H-Ras soaked in 60% 1,6-hexanediol: 1 of 10 in MSCS set | 分子名称: | CALCIUM ION, GTPase HRas, HEXANE-1,6-DIOL, ... | 著者 | Mattos, C, Buhrman, G, Kearney, B. | 登録日 | 2011-05-02 | 公開日 | 2011-09-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase. J.Mol.Biol., 413, 2011
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3RSO
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![BU of 3rso by Molmil](/molmil-images/mine/3rso) | H-Ras soaked in 20% S,R,S-bisfuranol: 1 of 10 in MSCS set | 分子名称: | (3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol, CALCIUM ION, GTPase HRas, ... | 著者 | Mattos, C, Buhrman, G, Kearney, B. | 登録日 | 2011-05-02 | 公開日 | 2011-09-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase. J.Mol.Biol., 413, 2011
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3RS0
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![BU of 3rs0 by Molmil](/molmil-images/mine/3rs0) | H-Ras soaked in neat cyclopentanol: one of 10 in MSCS set | 分子名称: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | 著者 | Mattos, C, Buhrman, G, Kearney, B. | 登録日 | 2011-05-02 | 公開日 | 2011-09-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase. J.Mol.Biol., 413, 2011
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3RS2
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![BU of 3rs2 by Molmil](/molmil-images/mine/3rs2) | H-Ras soaked in 50% 2,2,2-trifluoroethanol: one of 10 in MSCS set | 分子名称: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | 著者 | Mattos, C, Buhrman, G, Kearney, B. | 登録日 | 2011-05-02 | 公開日 | 2011-09-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.836 Å) | 主引用文献 | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase. J.Mol.Biol., 413, 2011
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8FDY
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![BU of 8fdy by Molmil](/molmil-images/mine/8fdy) | Human GAR transformylase in complex with GAR substrate and AGF132 inhibitor | 分子名称: | GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]pyridine-2-carbonyl}-L-glutamic acid, Phosphoribosylglycinamide formyltransferase | 著者 | Wong-Roushar, J, Dann III, C.E. | 登録日 | 2022-12-05 | 公開日 | 2023-05-10 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism. Acs Pharmacol Transl Sci, 6, 2023
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8FDZ
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![BU of 8fdz by Molmil](/molmil-images/mine/8fdz) | Human GAR transformylase in complex with GAR substrate and AGF302 inhibitor | 分子名称: | GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]-3-fluoropyridine-2-carbonyl}-L-glutamic acid, Phosphoribosylglycinamide formyltransferase | 著者 | Wong-Roushar, J, Dann III, C.E. | 登録日 | 2022-12-05 | 公開日 | 2023-05-10 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism. Acs Pharmacol Transl Sci, 6, 2023
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8FE0
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![BU of 8fe0 by Molmil](/molmil-images/mine/8fe0) | Human GAR transformylase in complex with GAR substrate and AGF305 inhibitor | 分子名称: | GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]-3-fluoropyridine-2-carbonyl}-L-glutamic acid, Phosphoribosylglycinamide formyltransferase | 著者 | Wong-Roushar, J, Dann III, C.E. | 登録日 | 2022-12-05 | 公開日 | 2023-05-10 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism. Acs Pharmacol Transl Sci, 6, 2023
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8FDX
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![BU of 8fdx by Molmil](/molmil-images/mine/8fdx) | AGF271 and GAR in complex with human recombinant GARFTase, ligase, purine biosynthesis, transfers formyl group from 10-formyl tetrahydrofolate to glycinamide ribonucleotide (GAR) to form tetrahydrofolate and formyl GAR | 分子名称: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[3-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)propyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | 著者 | Nyman, M.C, Wong-Roushar, J, Dann III, C.E. | 登録日 | 2022-12-05 | 公開日 | 2023-05-10 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism. Acs Pharmacol Transl Sci, 6, 2023
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7JG3
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![BU of 7jg3 by Molmil](/molmil-images/mine/7jg3) | Human GAR transformylase in complex with GAR substrate and AGF103 inhibitor | 分子名称: | GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]furan-2-carbonyl}-L-glutamic acid, SODIUM ION, ... | 著者 | Wong-Roushar, J, Dann III, C.E. | 登録日 | 2020-07-18 | 公開日 | 2021-03-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.091 Å) | 主引用文献 | Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors Bioorg.Med.Chem., 37, 2021
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7JG4
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![BU of 7jg4 by Molmil](/molmil-images/mine/7jg4) | Human GAR transformylase in complex with GAR substrate and AGF131 inhibitor | 分子名称: | GLYCINAMIDE RIBONUCLEOTIDE, N-(5-{3-[(1S,7R,8R,9S)-4-amino-2-oxo-7lambda~4~-thia-3,5-diazatetracyclo[4.3.0.0~1,7~.0~7,9~]nona-3,5-dien-8-yl]propyl}thiophene-2-carbonyl)-L-glutamic acid, SODIUM ION, ... | 著者 | Wong-Roushar, J, Dann III, C.E. | 登録日 | 2020-07-18 | 公開日 | 2021-03-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.455 Å) | 主引用文献 | Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors Bioorg.Med.Chem., 37, 2021
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7JG0
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![BU of 7jg0 by Molmil](/molmil-images/mine/7jg0) | Human GAR transformylase in complex with GAR substrate and AGF102 inhibitor | 分子名称: | GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | 著者 | Wong-Roushar, J, Dann III, C.E. | 登録日 | 2020-07-18 | 公開日 | 2021-03-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.984 Å) | 主引用文献 | Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors Bioorg.Med.Chem., 37, 2021
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