4OHF
 
 | | Crystal structure of cytosolic nucleotidase II (LPG0095) in complex with GMP from Legionella pneumophila, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET LGR1 | | 分子名称: | Cytosolic IMP-GMP specific 5'-nucleotidase, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Srinivisan, B, Forouhar, F, Shukla, A, Sampangi, C, Kulkarni, S, Abashidze, M, Seetharaman, J, Lew, S, Mao, L, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.M, Tong, L, Balaram, H, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2014-01-17 | | 公開日 | 2014-02-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Allosteric regulation and substrate activation in cytosolic nucleotidase II from Legionella pneumophila.
Febs J., 281, 2014
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6ECV
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6ECT
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6ECU
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6ECW
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6ECX
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2VKM
 | | Crystal structure of GRL-8234 bound to BACE (Beta-secretase) | | 分子名称: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | 著者 | Hong, L, Tang, J, Ghosh, A.K. | | 登録日 | 2007-12-04 | | 公開日 | 2008-12-16 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Potent Memapsin 2 (Beta-Secretase) Inhibitors: Design, Synthesis, Protein-Ligand X-Ray Structure, and in Vivo Evaluation.
Bioorg.Med.Chem.Lett., 18, 2008
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6RNH
 | | Structure of C-terminal truncated Plasmodium falciparum IMP-nucleotidase | | 分子名称: | GLYCEROL, IMP-specific 5'-nucleotidase, putative | | 著者 | Carrique, L, Ballut, L, Violot, S, Aghajari, N. | | 登録日 | 2019-05-08 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | | 主引用文献 | Structure and catalytic regulation of Plasmodium falciparum IMP specific nucleotidase.
Nat Commun, 11, 2020
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6RN1
 | | Structure of N-terminal truncated Plasmodium falciparum IMP-nucleotidase | | 分子名称: | IMP-specific 5'-nucleotidase, putative | | 著者 | Carrique, L, Ballut, L, Violot, S, Aghajari, N. | | 登録日 | 2019-05-07 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure and catalytic regulation of Plasmodium falciparum IMP specific nucleotidase.
Nat Commun, 11, 2020
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6RMO
 | | Structure of Plasmodium falciparum IMP-nucleotidase | | 分子名称: | IMP-specific 5'-nucleotidase, putative | | 著者 | Carrique, L, Ballut, L, Violot, S, Aghajari, N. | | 登録日 | 2019-05-07 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure and catalytic regulation of Plasmodium falciparum IMP specific nucleotidase.
Nat Commun, 11, 2020
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6RME
 | | Structure of IMP bound Plasmodium falciparum IMP-nucleotidase mutant D172N | | 分子名称: | GLYCEROL, IMP-specific 5'-nucleotidase, putative, ... | | 著者 | Carrique, L, Ballut, L, Violot, S, Aghajari, N. | | 登録日 | 2019-05-06 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Structure and catalytic regulation of Plasmodium falciparum IMP specific nucleotidase.
Nat Commun, 11, 2020
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6RMD
 | | Structure of ATP bound Plasmodium falciparum IMP-nucleotidase | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, IMP-specific 5'-nucleotidase, ... | | 著者 | Carrique, L, Ballut, L, Violot, S, Aghajari, N. | | 登録日 | 2019-05-06 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure and catalytic regulation of Plasmodium falciparum IMP specific nucleotidase.
Nat Commun, 11, 2020
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6RMW
 | | Structure of N-terminal truncated IMP bound Plasmodium falciparum IMP-nucleotidase | | 分子名称: | GLYCEROL, IMP-specific 5'-nucleotidase, putative, ... | | 著者 | Carrique, L, Ballut, L, Violot, S, Aghajari, N. | | 登録日 | 2019-05-07 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Structure and catalytic regulation of Plasmodium falciparum IMP specific nucleotidase.
Nat Commun, 11, 2020
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4G63
 | | Crystal structure of cytosolic IMP-GMP specific 5'-nucleotidase (lpg0095) in complex with phosphate ions from Legionella pneumophila, Northeast Structural Genomics Consortium Target LgR1 | | 分子名称: | Cytosolic IMP-GMP specific 5'-nucleotidase, PHOSPHATE ION | | 著者 | Forouhar, F, Abashidze, M, Seetharaman, J, Ho, C.K, Ciccosanti, C, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2012-07-18 | | 公開日 | 2012-10-10 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Allosteric regulation and substrate activation in cytosolic nucleotidase II from Legionella pneumophila.
Febs J., 281, 2014
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7UJ4
 | | Inhibition of Human Menin by SNDX-5613 | | 分子名称: | 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, Isoform 2 of Menin, MAGNESIUM ION | | 著者 | McKeever, B.M, Kulkarni, S, McGeehan, G.M. | | 登録日 | 2022-03-30 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | MEN1 mutations mediate clinical resistance to menin inhibition.
Nature, 615, 2023
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8E90
 | | Inhibition of Human Menin by SNDX-5613 | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, ... | | 著者 | McKeever, B.M, KULKARNI, S, McGeehan, G.M. | | 登録日 | 2022-08-26 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | MEN1 mutations mediate clinical resistance to menin inhibition.
Nature, 615, 2023
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3I6O
 | | Crystal structure of wild type HIV-1 protease with macrocyclic inhibitor GRL-0216A | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[(7E)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate, GLYCEROL, IODIDE ION, ... | | 著者 | Chumanevich, A.A, Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T. | | 登録日 | 2009-07-07 | | 公開日 | 2009-09-29 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | Design, Synthesis, Protein-Ligand X-ray Structure, and Biological Evaluation of a Series of Novel Macrocyclic Human Immunodeficiency Virus-1 Protease Inhibitors to Combat Drug Resistance.
J.Med.Chem., 52, 2009
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7KXL
 | | BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED | | 分子名称: | 3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | 著者 | Gardberg, A. | | 登録日 | 2020-12-04 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 40, 2021
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7KXO
 | | BTK1 SOAKED WITH COMPOUND 24 | | 分子名称: | 3-tert-butyl-N-[(1R)-6-{2-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK | | 著者 | Viacava Follis, A. | | 登録日 | 2020-12-04 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 40, 2021
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7KXN
 | | BTK1 SOAKED WITH COMPOUND 26 | | 分子名称: | 3-tert-butyl-N-[(1S)-6-{2-[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK | | 著者 | Viacava Follis, A. | | 登録日 | 2020-12-04 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 40, 2021
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7KXQ
 | | BTK1 SOAKED WITH COMPOUND 30 | | 分子名称: | 3-tert-butyl-N-[(5R)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK | | 著者 | Viacava Follis, A. | | 登録日 | 2020-12-04 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 40, 2021
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7KXP
 | | BTK1 SOAKED WITH COMPOUND 25 | | 分子名称: | 3-tert-butyl-N-[(1S)-6-{2-[3-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | | 著者 | Viacava Follis, A. | | 登録日 | 2020-12-04 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 40, 2021
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7KXM
 | | BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED | | 分子名称: | 4-tert-butyl-N-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide, Tyrosine-protein kinase BTK | | 著者 | Gardberg, A. | | 登録日 | 2020-12-04 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.
Bioorg.Med.Chem., 40, 2021
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3I7E
 | | Co-crystal structure of HIV-1 protease bound to a mutant resistant inhibitor UIC-98038 | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, HIV-1 protease | | 著者 | Hong, L, Tang, J, Ghosh, A. | | 登録日 | 2009-07-08 | | 公開日 | 2009-09-29 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Design, Synthesis, Protein-Ligand X-ray Structure, and Biological Evaluation of a Series of Novel Macrocyclic Human Immunodeficiency Virus-1 Protease Inhibitors to Combat Drug Resistance.
J.Med.Chem., 52, 2009
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4GOX
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