7REY
 
 | | MYCOBACTERIUM ABSCESSUS TRNA METHYLTRANSFERASE IN APO FORM | | 分子名称: | SODIUM ION, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Prucha, G.R, Ismail, M, Suske, A, Das, B, Oz, M, Perez, A, Bolen, R, Jayaraman, S, Stojanoff, V, Halloran, J. | | 登録日 | 2021-07-13 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Crystal structure of divalent Mg2+ dependent Mycobacterium abscessus tRNA (m1 G37) Methyltransferase (TrmD)
To Be Published
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8RV3
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8TXA
 | | Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum | | 分子名称: | tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Balsamo, A, Bruno, C, Edele, C, Fabian, T, Jannotta, R, Lee, R, Schryver, D, Warsaw, J, Warsaw, L, Stojanoff, V, Battaile, K, Perez, A, Bolen, R. | | 登録日 | 2023-08-23 | | 公開日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.591 Å) | | 主引用文献 | Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum
To Be Published
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8FCI
 | | tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine | | 分子名称: | S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Lavallee, T, Mehta, K, Young, A, Cortes, J, Isaacson, B, Brylewski, J, Schlegel, F, Doti, L, Battaile, K, Stojanoff, V, Perez, A, Bolen, R. | | 登録日 | 2022-12-01 | | 公開日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.752 Å) | | 主引用文献 | tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine
To Be Published
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8FCH
 | | Apo Structure of (N1G37) Methyltransferase from Mycobacterium avium | | 分子名称: | tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Isaacson, B, Brylewski, J, Schlegel, F, Cortes, J, Lavallee, T, Mehta, K, Young, A, Doti, L, Battaile, K.P, Stojanoff, V, Perez, A, Bolen, R. | | 登録日 | 2022-12-01 | | 公開日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.956 Å) | | 主引用文献 | Apo structure of (N1G37) Methyltransferase from Mycobacterium avium.
To Be Published
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8SH4
 | | Crystal structure of the tRNA (m1G37) methyltransferase apoenzyme from Anaplasma phagocytophilum | | 分子名称: | GLYCEROL, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Jannotta, C, Edele, D, Levanti, D, Carson, M, Prucha, G, Caesar, J, Picchiello, C, Collins, K, Garland, E, Handley-Pendleton, J, Hernandez, V, Leffler, S, Williams, D, Stojanoff, V, Perez, A, Halloran, J, Bolen, R. | | 登録日 | 2023-04-13 | | 公開日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structure of the m1G37 tRNA methyltransferase apoenzyme from Anaplasma phagocytophilum
To Be Published
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2MOP
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2MP5
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3S41
 | | Glucokinase in complex with activator and glucose | | 分子名称: | Glucokinase, N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide, SODIUM ION, ... | | 著者 | Liu, S. | | 登録日 | 2011-05-18 | | 公開日 | 2011-09-14 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Designing glucokinase activators with reduced hypoglycemia risk: discovery of N,N-dimethyl-5-(2-methyl-6-((5-methylpyrazin-2-yl)-carbamoyl)benzofuran-4-yloxy)pyrimidine-2-carboxamide as a clinical candidate for the treatment of type 2 diabetes mellitus
MEDCHEMCOMM, 2, 2011
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5JFO
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3H3C
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6O3Z
 | | Crystal structure of RORgt with 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide (compound 1) | | 分子名称: | 1,2-ETHANEDIOL, 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, RAR-related orphan receptor C isoform a variant | | 著者 | Min, X, Wang, Z. | | 登録日 | 2019-02-27 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of [1,2,4]Triazolo[1,5-a]pyridine Derivatives as Potent and Orally Bioavailable ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 11, 2020
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7JTW
 | | Crystal structure of RORgt with compound (4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid | | 分子名称: | (4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid, GLYCEROL, RAR-related orphan receptor C isoform a variant, ... | | 著者 | Min, X, Wang, Z. | | 登録日 | 2020-08-18 | | 公開日 | 2021-02-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of 6-Oxo-4-phenyl-hexanoic acid derivatives as ROR gamma t inverse agonists showing favorable ADME profile.
Bioorg.Med.Chem.Lett., 36, 2021
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8A39
 | | Crystal Structure of PaaX from Escherichia coli W | | 分子名称: | DNA-binding transcriptional repressor of phenylacetic acid degradation, aryl-CoA responsive, GLYCEROL, ... | | 著者 | Molina, R, Alba-Perez, A, Hermoso, J.A. | | 登録日 | 2022-06-07 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural characterization of PaaX, the main repressor of the phenylacetate degradation pathway in Escherichia coli W: A novel fold of transcription regulator proteins.
Int.J.Biol.Macromol., 254, 2024
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3ET7
 | | Crystal structure of PYK2 complexed with PF-2318841 | | 分子名称: | 5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,3-dihydro-2H-indol-2-one, PHOSPHATE ION, Protein tyrosine kinase 2 beta | | 著者 | Han, S. | | 登録日 | 2008-10-07 | | 公開日 | 2009-06-23 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Trifluoromethylpyrimidine-based inhibitors of proline-rich tyrosine kinase 2 (PYK2): structure-activity relationships and strategies for the elimination of reactive metabolite formation.
Bioorg.Med.Chem.Lett., 18, 2008
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4MSK
 | | Co-crystal structure of tankyrase 1 with compound 34 | | 分子名称: | 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide, Tankyrase-1, ZINC ION | | 著者 | Huang, X. | | 登録日 | 2013-09-18 | | 公開日 | 2013-12-25 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
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4MT9
 | | Co-crystal structure of tankyrase 1 with compound 49 | | 分子名称: | N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide, Tankyrase-1, ZINC ION | | 著者 | Huang, X. | | 登録日 | 2013-09-19 | | 公開日 | 2013-12-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
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4MSG
 | | Crystal structure of tankyrase 1 with compound 22 | | 分子名称: | 3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide, Tankyrase-1, ZINC ION | | 著者 | Huang, X. | | 登録日 | 2013-09-18 | | 公開日 | 2013-12-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
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6Y2S
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9DF4
 | | EGFR Exon20 insertion mutant SVD bound with STX-721 | | 分子名称: | (2P)-3-(3-chloro-2-methoxyanilino)-2-[3-({(2R)-1-[(2E)-4-(dimethylamino)but-2-enoyl]-2-methylpyrrolidin-2-yl}ethynyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Hilbert, B.J, Brooijmans, N, Pagliarini, R.A, Milgram, B.C. | | 登録日 | 2024-08-29 | | 公開日 | 2025-05-14 | | 最終更新日 | 2025-06-11 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | STX-721, a Covalent EGFR/HER2 Exon 20 Inhibitor, Utilizes Exon 20-Mutant Dynamic Protein States and Achieves Unique Mutant Selectivity Across Human Cancer Models.
Clin.Cancer Res., 2025
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9DF2
 | | EGFR Exon20 insertion mutant ASV bound with (S)-3-((3-chloro-2-methoxyphenyl)amino)-2-(3-((tetrahydrofuran-2-yl)methoxy)pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one | | 分子名称: | 1,2-ETHANEDIOL, 3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[[(2S)-oxolan-2-yl]methoxy]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, CHLORIDE ION, ... | | 著者 | Hilbert, B.J. | | 登録日 | 2024-08-29 | | 公開日 | 2025-05-14 | | 最終更新日 | 2025-06-11 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | STX-721, a Covalent EGFR/HER2 Exon 20 Inhibitor, Utilizes Exon 20-Mutant Dynamic Protein States and Achieves Unique Mutant Selectivity Across Human Cancer Models.
Clin.Cancer Res., 2025
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9DF3
 | | EGFR Exon20 insertion mutant SVD bound with (S)-3-((3-chloro-2-methoxyphenyl)amino)-2-(3-((tetrahydrofuran-2-yl)methoxy)pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one | | 分子名称: | 1,2-ETHANEDIOL, 3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[[(2S)-oxolan-2-yl]methoxy]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, Epidermal growth factor receptor, ... | | 著者 | Hilbert, B.J, Brooijmans, N, Pagliarini, R.A, Milgram, B.C. | | 登録日 | 2024-08-29 | | 公開日 | 2025-05-14 | | 最終更新日 | 2025-06-11 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | STX-721, a Covalent EGFR/HER2 Exon 20 Inhibitor, Utilizes Exon 20-Mutant Dynamic Protein States and Achieves Unique Mutant Selectivity Across Human Cancer Models.
Clin.Cancer Res., 2025
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4K4F
 | | Co-crystal structure of TNKS1 with compound 18 [4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide] | | 分子名称: | 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-1, ZINC ION | | 著者 | Huang, X, Bregman, H, Wilson, C, DiMauro, E, Gunaydin, H. | | 登録日 | 2013-04-12 | | 公開日 | 2013-06-05 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
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4K4E
 | | Co-crystal structure of tnks1 with compound 52 [N~2-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide] | | 分子名称: | N~2~-(5-chloro-2-methoxyphenyl)-N-[trans-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)cyclohexyl]glycinamide, Tankyrase-1, ZINC ION | | 著者 | Huang, X. | | 登録日 | 2013-04-12 | | 公開日 | 2013-06-05 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
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4H1J
 | | Crystal structure of PYK2 with the pyrazole 13a | | 分子名称: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1H-pyrazol-5-yl]urea, Protein-tyrosine kinase 2-beta | | 著者 | Han, S. | | 登録日 | 2012-09-10 | | 公開日 | 2012-11-28 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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