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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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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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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5KO9
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![BU of 5ko9 by Molmil](/molmil-images/mine/5ko9) | Crystal Structure of the SRAP Domain of Human HMCES Protein | 分子名称: | Embryonic stem cell-specific 5-hydroxymethylcytosine-binding protein, UNKNOWN ATOM OR ION | 著者 | Halabelian, L, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | 登録日 | 2016-06-29 | 公開日 | 2016-08-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition. Nat.Struct.Mol.Biol., 26, 2019
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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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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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3LLR
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![BU of 3llr by Molmil](/molmil-images/mine/3llr) | Crystal structure of the PWWP domain of Human DNA (cytosine-5-)-methyltransferase 3 alpha | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (cytosine-5)-methyltransferase 3A, SULFATE ION | 著者 | Qiu, W, Dombrovski, L, Ni, S, Weigelt, J, Boutra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | 登録日 | 2010-01-29 | 公開日 | 2010-03-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural and histone binding ability characterizations of human PWWP domains. Plos One, 6, 2011
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6OCO
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![BU of 6oco by Molmil](/molmil-images/mine/6oco) | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 6 | 分子名称: | 4-[(1S,4S)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Lesburg, C.A, Augustin, M.A. | 登録日 | 2019-03-25 | 公開日 | 2019-12-11 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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3NCX
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![BU of 3ncx by Molmil](/molmil-images/mine/3ncx) | |
3NCW
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![BU of 3ncw by Molmil](/molmil-images/mine/3ncw) | |
2PZ9
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![BU of 2pz9 by Molmil](/molmil-images/mine/2pz9) | Crystal structure of putative transcriptional regulator SCO4942 from Streptomyces coelicolor | 分子名称: | Putative regulatory protein, SULFATE ION | 著者 | Filippova, E.V, Chruszcz, M, Xu, X, Zheng, H, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2007-05-17 | 公開日 | 2007-06-19 | 最終更新日 | 2022-04-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | In situ proteolysis for protein crystallization and structure determination. Nat.Methods, 4, 2007
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1DPR
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![BU of 1dpr by Molmil](/molmil-images/mine/1dpr) | STRUCTURES OF THE APO-AND METAL ION ACTIVATED FORMS OF THE DIPHTHERIA TOX REPRESSOR FROM CORYNEBACTERIUM DIPHTHERIAE | 分子名称: | DIPHTHERIA TOX REPRESSOR | 著者 | Schiering, N, Tao, X, Murphy, J, Petsko, G.A, Ringe, D. | 登録日 | 1995-02-06 | 公開日 | 1995-09-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structures of the apo- and the metal ion-activated forms of the diphtheria tox repressor from Corynebacterium diphtheriae. Proc.Natl.Acad.Sci.USA, 92, 1995
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2IGQ
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![BU of 2igq by Molmil](/molmil-images/mine/2igq) | Human euchromatic histone methyltransferase 1 | 分子名称: | S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, euchromatic histone methyltransferase 1 | 著者 | Min, J, Wu, H, Antoshenko, T, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | 登録日 | 2006-09-23 | 公開日 | 2006-10-24 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural biology of human H3K9 methyltransferases Plos One, 5, 2010
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6VYC
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![BU of 6vyc by Molmil](/molmil-images/mine/6vyc) | Crystal structure of WD-repeat domain of human WDR91 | 分子名称: | UNKNOWN ATOM OR ION, WD repeat-containing protein 91 | 著者 | Halabelian, L, Hutchinson, A, Li, Y, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | 登録日 | 2020-02-26 | 公開日 | 2020-03-25 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
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2H11
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![BU of 2h11 by Molmil](/molmil-images/mine/2h11) | Amino-terminal Truncated Thiopurine S-Methyltransferase Complexed with S-Adenosyl-L-Homocysteine | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-ADENOSYL-L-HOMOCYSTEINE, THIOCYANATE ION, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2006-05-15 | 公開日 | 2006-11-21 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Structural basis of allele variation of human thiopurine-S-methyltransferase. Proteins, 67, 2007
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6KMU
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![BU of 6kmu by Molmil](/molmil-images/mine/6kmu) | |
6N4D
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![BU of 6n4d by Molmil](/molmil-images/mine/6n4d) | The crystal structure of neuramindase from A/canine/IL/11613/2015 (H3N2) influenza virus. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Yang, H, Stevens, J. | 登録日 | 2018-11-19 | 公開日 | 2019-01-30 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Assessment of Molecular, Antigenic, and Pathological Features of Canine Influenza A(H3N2) Viruses That Emerged in the United States. J. Infect. Dis., 216, 2017
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6N4F
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![BU of 6n4f by Molmil](/molmil-images/mine/6n4f) | |
3SMQ
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![BU of 3smq by Molmil](/molmil-images/mine/3smq) | Crystal structure of protein arginine methyltransferase 3 | 分子名称: | 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea, CHLORIDE ION, Protein arginine N-methyltransferase 3, ... | 著者 | Dobrovetsky, E, Dong, A, Walker, J.R, Siarheyeva, A, Senisterra, G, Wasney, G.A, Smil, D, Bolshan, Y, Nguyen, K.T, Allali-Hassani, A, Hajian, T, Poda, G, Bountra, C, Weigelt, J, Edwards, A.M, Al-Awar, R, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Structural Genomics Consortium (SGC) | 登録日 | 2011-06-28 | 公開日 | 2011-08-31 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | An allosteric inhibitor of protein arginine methyltransferase 3. Structure, 20, 2012
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2O8J
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![BU of 2o8j by Molmil](/molmil-images/mine/2o8j) | Human euchromatic histone methyltransferase 2 | 分子名称: | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3, S-ADENOSYL-L-HOMOCYSTEINE, ... | 著者 | Min, J, Wu, H, Antoshenko, T, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | 登録日 | 2006-12-12 | 公開日 | 2007-01-16 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural biology of human H3K9 methyltransferases Plos One, 5, 2010
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3Q96
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![BU of 3q96 by Molmil](/molmil-images/mine/3q96) | B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor | 分子名称: | (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide, Serine/threonine-protein kinase B-raf | 著者 | Sintchak, M.D, Aertgeerts, K, Yano, J. | 登録日 | 2011-01-07 | 公開日 | 2011-03-23 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Design and optimization of potent and orally bioavailable tetrahydronaphthalene raf inhibitors. J.Med.Chem., 54, 2011
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2QPW
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![BU of 2qpw by Molmil](/molmil-images/mine/2qpw) | Methyltransferase domain of human PR domain-containing protein 2 | 分子名称: | PR domain zinc finger protein 2 | 著者 | Lunin, V.V, Wu, H, Dombrovski, L, Antoshenko, T, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Plotnikov, A.N, Structural Genomics Consortium (SGC) | 登録日 | 2007-07-25 | 公開日 | 2007-08-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Structural biology of human H3K9 methyltransferases Plos One, 5, 2010
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8GTN
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![BU of 8gtn by Molmil](/molmil-images/mine/8gtn) | |
6OCU
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![BU of 6ocu by Molmil](/molmil-images/mine/6ocu) | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 29 | 分子名称: | 5-{(3R)-3-methyl-4-[(1R,2R)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Lesburg, C.A, Augustin, M.A. | 登録日 | 2019-03-25 | 公開日 | 2019-12-11 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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6ZOD
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![BU of 6zod by Molmil](/molmil-images/mine/6zod) | Fusidic acid binding to the allosteric deep transmembrane domain binding pocket, TM7/TM8 groove, and TM1/TM2 groove of the fully induced AcrB T protomer | 分子名称: | 1,2-ETHANEDIOL, DARPIN, DECANE, ... | 著者 | Oswald, C, Tam, H.K, Pos, K.M. | 登録日 | 2020-07-07 | 公開日 | 2021-05-19 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
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