8TS8
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![BU of 8ts8 by Molmil](/molmil-images/mine/8ts8) | p85alpha/p110alpha heterodimer H1047R mutant | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J, Valverde, R. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 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 | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | 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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8TS9
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![BU of 8ts9 by Molmil](/molmil-images/mine/8ts9) | Human PI3K p85alpha/p110alpha H1047R bound to compound 1 | Descriptor: | 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 | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | 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 | Descriptor: | (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 | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.62 Å) | Cite: | 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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5JCP
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![BU of 5jcp by Molmil](/molmil-images/mine/5jcp) | RhoGAP domain of ARAP3 in complex with RhoA in the transition state | Descriptor: | Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3,Linker,Transforming protein RhoA, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Bao, H, Li, F, Wang, C, Wang, N, Jiang, Y, Tang, Y, Wu, J, Shi, Y. | Deposit date: | 2016-04-15 | Release date: | 2016-06-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for the Specific Recognition of RhoA by the Dual GTPase-activating Protein ARAP3 J.Biol.Chem., 291, 2016
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4ZBJ
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![BU of 4zbj by Molmil](/molmil-images/mine/4zbj) | UBN1 peptide bound to H3.3/H4/Asf1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Histone H3, ... | Authors: | Marmorstein, R, Ricketts, M.D, Tang, Y. | Deposit date: | 2015-04-14 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.248 Å) | Cite: | Ubinuclein-1 confers histone H3.3-specific-binding by the HIRA histone chaperone complex. Nat Commun, 6, 2015
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4K2X
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![BU of 4k2x by Molmil](/molmil-images/mine/4k2x) | |
5B88
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![BU of 5b88 by Molmil](/molmil-images/mine/5b88) | RRM-like domain of DEAD-box protein, CsdA | Descriptor: | ATP-dependent RNA helicase DeaD | Authors: | Xu, L, Peng, J, Zhang, J, Wu, J, Tang, Y, Shi, Y. | Deposit date: | 2016-06-13 | Release date: | 2017-05-31 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Insights into the Structure of Dimeric RNA Helicase CsdA and Indispensable Role of Its C-Terminal Regions. Structure, 25, 2017
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4LCL
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![BU of 4lcl by Molmil](/molmil-images/mine/4lcl) | Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD6 mutant (simh6208) | Descriptor: | ISOPROPYL ALCOHOL, Transesterase | Authors: | Gao, X, Sawaya, M.R, Yeates, T.O, Tang, Y. | Deposit date: | 2013-06-21 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The role of distant mutations and allosteric regulation on LovD active site dynamics. Nat.Chem.Biol., 10, 2014
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4LCM
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![BU of 4lcm by Molmil](/molmil-images/mine/4lcm) | Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD9 mutant (simh9014) | Descriptor: | Transesterase | Authors: | Gao, X, Sawaya, M.R, Yeates, T.O, Tang, Y. | Deposit date: | 2013-06-21 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | The role of distant mutations and allosteric regulation on LovD active site dynamics. Nat.Chem.Biol., 10, 2014
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3TFZ
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![BU of 3tfz by Molmil](/molmil-images/mine/3tfz) | Crystal structure of Zhui aromatase/cyclase from Streptomcyes sp. R1128 | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Cyclase, POTASSIUM ION | Authors: | Ames, B.D, Lee, M.Y, Moody, C, Zhang, W, Tang, Y, Wong, S.K, Tsai, S.C. | Deposit date: | 2011-08-16 | Release date: | 2011-09-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structural and Biochemical Characterization of ZhuI Aromatase/Cyclase from the R1128 Polyketide Pathway. Biochemistry, 50, 2011
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3TKK
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![BU of 3tkk by Molmil](/molmil-images/mine/3tkk) | Crystal Structure Analysis of a recombinant predicted acetamidase/ formamidase from the thermophile thermoanaerobacter tengcongensis | Descriptor: | CALCIUM ION, Predicted acetamidase/formamidase, ZINC ION | Authors: | Qian, M, Huang, Q, Wu, G, Lai, L, Tang, Y, Pei, J, Kusunoki, M. | Deposit date: | 2011-08-26 | Release date: | 2011-11-16 | Last modified: | 2012-02-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal Structure Analysis of a Recombinant Predicted Acetamidase/Formamidase from the Thermophile Thermoanaerobacter tengcongensis. PROTEIN J., 31, 2012
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3SKV
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![BU of 3skv by Molmil](/molmil-images/mine/3skv) | Salicylyl-Acyltransferase SsfX3 from a Tetracycline Biosynthetic Pathway | Descriptor: | GLYCEROL, SsfX3 | Authors: | Pickens, L.B, Sawaya, M.R, Yeates, T.O, Tang, Y. | Deposit date: | 2011-06-23 | Release date: | 2011-10-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural and Biochemical Characterization of the Salicylyl-acyltranferase SsfX3 from a Tetracycline Biosynthetic Pathway. J.Biol.Chem., 286, 2011
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2LYO
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![BU of 2lyo by Molmil](/molmil-images/mine/2lyo) | CROSS-LINKED CHICKEN LYSOZYME CRYSTAL IN 90% ACETONITRILE-WATER | Descriptor: | ACETONITRILE, LYSOZYME | Authors: | Huang, Q, Wang, Z, Zhu, G, Qian, M, Shao, M, Jia, Y, Tang, Y. | Deposit date: | 1998-03-06 | Release date: | 1998-05-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | X-ray studies on cross-linked lysozyme crystals in acetonitrile-water mixture. Biochim.Biophys.Acta, 1384, 1998
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6IX8
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![BU of 6ix8 by Molmil](/molmil-images/mine/6ix8) | The structure of LepI C52A in complex with SAM and its substrate analogue | Descriptor: | (1R,2R,4aS,8S,8aR)-2,8-dimethyl-5'-phenyl-4a,5,6,7,8,8a-hexahydro-2H,2'H-spiro[naphthalene-1,3'-pyridine]-2',4'(1'H)-dione, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J. | Deposit date: | 2018-12-09 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.659 Å) | Cite: | Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI. Nat.Chem., 11, 2019
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6IX5
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![BU of 6ix5 by Molmil](/molmil-images/mine/6ix5) | The structure of LepI complex with SAM and its substrate analogue | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one, CHLORIDE ION, ... | Authors: | Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J. | Deposit date: | 2018-12-09 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI. Nat.Chem., 11, 2019
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6IX3
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![BU of 6ix3 by Molmil](/molmil-images/mine/6ix3) | The structure of LepI complex with SAM | Descriptor: | CHLORIDE ION, O-methyltransferase lepI, S-ADENOSYLMETHIONINE | Authors: | Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J. | Deposit date: | 2018-12-09 | Release date: | 2019-07-17 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI. Nat.Chem., 11, 2019
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6IX9
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![BU of 6ix9 by Molmil](/molmil-images/mine/6ix9) | The structure of LepI C52A in complex with SAM and leporin C | Descriptor: | (6R,6aS,10S,10aR)-10-methyl-4-phenyl-6-[(1E)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1H-[2]benzopyrano[4,3-c]pyridin-1-one, CHLORIDE ION, GLYCEROL, ... | Authors: | Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J. | Deposit date: | 2018-12-09 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.776 Å) | Cite: | Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI. Nat.Chem., 11, 2019
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6IX7
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![BU of 6ix7 by Molmil](/molmil-images/mine/6ix7) | The structure of LepI C52A in complex with SAH and substrate analogue | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one, CHLORIDE ION, ... | Authors: | Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J. | Deposit date: | 2018-12-09 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.835 Å) | Cite: | Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI. Nat.Chem., 11, 2019
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4LYO
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![BU of 4lyo by Molmil](/molmil-images/mine/4lyo) | CROSS-LINKED CHICKEN LYSOZYME CRYSTAL IN NEAT ACETONITRILE, THEN BACK-SOAKED IN WATER | Descriptor: | LYSOZYME | Authors: | Huang, Q, Wang, Z, Zhu, G, Qian, M, Shao, M, Jia, Y, Tang, Y. | Deposit date: | 1998-03-11 | Release date: | 1998-05-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | X-ray studies on cross-linked lysozyme crystals in acetonitrile-water mixture. Biochim.Biophys.Acta, 1384, 1998
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5XJ9
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![BU of 5xj9 by Molmil](/molmil-images/mine/5xj9) | Crystal structure of PlsY (YgiH), an integral membrane glycerol 3-phosphate acyltransferase - the orthophosphate form | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Glycerol-3-phosphate acyltransferase, PHOSPHATE ION | Authors: | Li, Z, Tang, Y, Li, D. | Deposit date: | 2017-04-30 | Release date: | 2017-12-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural insights into the committed step of bacterial phospholipid biosynthesis. Nat Commun, 8, 2017
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5XJ6
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![BU of 5xj6 by Molmil](/molmil-images/mine/5xj6) | Crystal structure of PlsY (YgiH), an integral membrane glycerol 3-phosphate acyltransferase - the glycerol 3-phosphate form | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Glycerol-3-phosphate acyltransferase, PHOSPHATE ION, ... | Authors: | Li, Z, Tang, Y, Li, D. | Deposit date: | 2017-04-30 | Release date: | 2017-12-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural insights into the committed step of bacterial phospholipid biosynthesis. Nat Commun, 8, 2017
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5XJ8
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![BU of 5xj8 by Molmil](/molmil-images/mine/5xj8) | Crystal structure of PlsY (YgiH), an integral membrane glycerol 3-phosphate acyltransferase - the lysphosphatidic acid form | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, Glycerol-3-phosphate acyltransferase, PHOSPHATE ION | Authors: | Li, Z, Tang, Y, Li, D. | Deposit date: | 2017-04-30 | Release date: | 2017-12-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structural insights into the committed step of bacterial phospholipid biosynthesis. Nat Commun, 8, 2017
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