7TEH
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![BU of 7teh by Molmil](/molmil-images/mine/7teh) | Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2 | 分子名称: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2022-01-05 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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7TFR
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![BU of 7tfr by Molmil](/molmil-images/mine/7tfr) | Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with NBH-2 | 分子名称: | (1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2022-01-07 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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8SVF
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![BU of 8svf by Molmil](/molmil-images/mine/8svf) | BAP1/ASXL1 bound to the H2AK119Ub Nucleosome | 分子名称: | DNA/RNA (187-MER), DNA/RNA (327-MER), Histone H2A type 1, ... | 著者 | Thomas, J.F, Valencia-Sanchez, M.I, Armache, K.-J. | 登録日 | 2023-05-16 | 公開日 | 2023-08-30 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structural basis of histone H2A lysine 119 deubiquitination by Polycomb repressive deubiquitinase BAP1/ASXL1. Sci Adv, 9, 2023
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3GTU
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![BU of 3gtu by Molmil](/molmil-images/mine/3gtu) | |
7BW9
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![BU of 7bw9 by Molmil](/molmil-images/mine/7bw9) | |
6U7N
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![BU of 6u7n by Molmil](/molmil-images/mine/6u7n) | Crystal structure of neurotrimin (NTM) | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Neurotrimin, ... | 著者 | Machius, M, Venkannagari, H, Misra, A, Rudenko, G, Rush, S. | 登録日 | 2019-09-03 | 公開日 | 2020-08-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.321 Å) | 主引用文献 | Highly Conserved Molecular Features in IgLONs Contrast Their Distinct Structural and Biological Outcomes. J.Mol.Biol., 432, 2020
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4NCG
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![BU of 4ncg by Molmil](/molmil-images/mine/4ncg) | Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses | 分子名称: | 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | 著者 | Yan, Y. | 登録日 | 2013-10-24 | 公開日 | 2014-02-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses. Bioorg.Med.Chem.Lett., 24, 2014
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1KHI
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![BU of 1khi by Molmil](/molmil-images/mine/1khi) | CRYSTAL STRUCTURE OF HEX1 | 分子名称: | Hex1 | 著者 | Yuan, P, Swaminathan, K. | 登録日 | 2001-11-30 | 公開日 | 2002-11-30 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | A HEX-1 crystal lattice required for Woronin body function in Neurospora crassa NAT.STRUCT.BIOL., 10, 2003
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2NM1
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![BU of 2nm1 by Molmil](/molmil-images/mine/2nm1) | Structure of BoNT/B in complex with its protein receptor | 分子名称: | Botulinum neurotoxin type B, Synaptotagmin-2 | 著者 | Jin, R, Rummel, A, Binz, T, Brunger, A.T. | 登録日 | 2006-10-20 | 公開日 | 2006-12-19 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Botulinum neurotoxin B recognizes its protein receptor with high affinity and specificity. Nature, 444, 2006
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6U6T
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![BU of 6u6t by Molmil](/molmil-images/mine/6u6t) | Neuronal growth regulator 1 (NEGR1) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuronal growth regulator 1, ... | 著者 | Machius, M, Venkannagari, H, Misra, A, Rudenko, G. | 登録日 | 2019-08-30 | 公開日 | 2020-08-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | Highly Conserved Molecular Features in IgLONs Contrast Their Distinct Structural and Biological Outcomes. J.Mol.Biol., 432, 2020
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6AHI
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![BU of 6ahi by Molmil](/molmil-images/mine/6ahi) | |
3JTY
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![BU of 3jty by Molmil](/molmil-images/mine/3jty) | Crystal structure of a BenF-like porin from Pseudomonas fluorescens Pf-5 | 分子名称: | BenF-like porin, LAURYL DIMETHYLAMINE-N-OXIDE | 著者 | Sampathkumar, P, Lu, F, Zhao, X, Wasserman, S, Iuzuka, M, Bain, K, Rutter, M, Gheyi, T, Atwell, S, Luz, J, Gilmore, J, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2009-09-14 | 公開日 | 2009-10-20 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Structure of a putative BenF-like porin from Pseudomonas fluorescens Pf-5 at 2.6 A resolution. Proteins, 78, 2010
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4P0T
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![BU of 4p0t by Molmil](/molmil-images/mine/4p0t) | |
2HHL
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![BU of 2hhl by Molmil](/molmil-images/mine/2hhl) | Crystal structure of the human small CTD phosphatase 3 isoform 1 | 分子名称: | 12-TUNGSTOPHOSPHATE, CTD small phosphatase-like protein | 著者 | Malashkevich, V.N, Toro, R, Ramagopal, U, Sauder, J.M, Schwinn, K.D, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2006-06-28 | 公開日 | 2006-08-29 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural genomics of protein phosphatases. J.STRUCT.FUNCT.GENOM., 8, 2007
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7R63
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![BU of 7r63 by Molmil](/molmil-images/mine/7r63) | |
2IRM
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![BU of 2irm by Molmil](/molmil-images/mine/2irm) | Crystal structure of mitogen-activated protein kinase kinase kinase 7 interacting protein 1 from Anopheles gambiae | 分子名称: | mitogen-activated protein kinase kinase kinase 7 interacting protein 1 | 著者 | Jin, X, Bonanno, J.B, Pelletier, L, Freeman, J.C, Wasserman, S, Sauder, J.M, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2006-10-15 | 公開日 | 2006-11-14 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural genomics of protein phosphatases. J.STRUCT.FUNCT.GENOM., 8, 2007
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8TU6
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![BU of 8tu6 by Molmil](/molmil-images/mine/8tu6) | CryoEM structure of PI3Kalpha | 分子名称: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Valverde, R, Shi, H, Holliday, M. | 登録日 | 2023-08-15 | 公開日 | 2023-11-15 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TSB
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![BU of 8tsb by Molmil](/molmil-images/mine/8tsb) | Human PI3K p85alpha/p110alpha bound to compound 2 | 分子名称: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | 登録日 | 2023-08-11 | 公開日 | 2023-11-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.53 Å) | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TSA
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![BU of 8tsa by Molmil](/molmil-images/mine/8tsa) | Human PI3K p85alpha/p110alpha H1047R bound to compound 2 | 分子名称: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J, Valverde, R. | 登録日 | 2023-08-11 | 公開日 | 2023-11-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TS8
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![BU of 8ts8 by Molmil](/molmil-images/mine/8ts8) | p85alpha/p110alpha heterodimer H1047R mutant | 分子名称: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | 登録日 | 2023-08-11 | 公開日 | 2023-11-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TSD
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![BU of 8tsd by Molmil](/molmil-images/mine/8tsd) | Human PI3K p85alpha/p110alpha bound to RLY-2608 | 分子名称: | N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | 登録日 | 2023-08-11 | 公開日 | 2023-11-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TS7
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![BU of 8ts7 by Molmil](/molmil-images/mine/8ts7) | Human PI3K p85alpha/p110alpha | 分子名称: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | 登録日 | 2023-08-11 | 公開日 | 2023-11-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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2IQ1
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![BU of 2iq1 by Molmil](/molmil-images/mine/2iq1) | Crystal structure of human PPM1K | 分子名称: | MAGNESIUM ION, Protein phosphatase 2C kappa, PPM1K | 著者 | Bonanno, J.B, Freeman, J, Russell, M, Bain, K.T, Adams, J, Pelletier, L, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2006-10-12 | 公開日 | 2006-11-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural genomics of protein phosphatases J.STRUCT.FUNCT.GENOM., 8, 2007
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8TS9
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![BU of 8ts9 by Molmil](/molmil-images/mine/8ts9) | Human PI3K p85alpha/p110alpha H1047R bound to compound 1 | 分子名称: | 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | 登録日 | 2023-08-11 | 公開日 | 2023-11-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TSC
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![BU of 8tsc by Molmil](/molmil-images/mine/8tsc) | Human PI3K p85alpha/p110alpha H1047R bound to compound 3 | 分子名称: | (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | 登録日 | 2023-08-11 | 公開日 | 2023-11-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.62 Å) | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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