6B88
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![BU of 6b88 by Molmil](/molmil-images/mine/6b88) | E. coli LepB in complex with GNE0775 ((4S,7S,10S)-10-((S)-4-amino-2-(2-(4-(tert-butyl)phenyl)-4-methylpyrimidine-5-carboxamido)-N-methylbutanamido)-16,26-bis(2-aminoethoxy)-N-(2-iminoethyl)-7-methyl-6,9-dioxo-5,8-diaza-1,2(1,3)-dibenzenacyclodecaphane-4-carboxamide) | 分子名称: | (8S,11S,14S)-14-{[(2S)-4-amino-2-{[2-(4-tert-butylphenyl)-4-methylpyrimidine-5-carbonyl]amino}butanoyl](methyl)amino}-3,18-bis(2-aminoethoxy)-N-[(2Z)-2-iminoethyl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaene-8-carboxamide, PENTAETHYLENE GLYCOL, Signal peptidase I | 著者 | Murray, J.M, Rouge, L. | 登録日 | 2017-10-05 | 公開日 | 2018-10-10 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.407 Å) | 主引用文献 | Optimized arylomycins are a new class of Gram-negative antibiotics. Nature, 561, 2018
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4BBM
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![BU of 4bbm by Molmil](/molmil-images/mine/4bbm) | CRYSTAL STRUCTURE OF THE HUMAN CDKL2 KINASE DOMAIN WITH BOUND TCS 2312 | 分子名称: | 1,2-ETHANEDIOL, 4'-[5-[[3-[(CYCLOPROPYLAMINO)METHYL]PHENYL]AMINO]-1H-PYRAZOL-3-YL]-[1,1'-BIPHENYL]-2,4-DIOL, CHLORIDE ION, ... | 著者 | Canning, P, Elkins, J.M, Cooper, C.D.O, Mahajan, P, Daga, N, Berridge, G, Burgess-Brown, N, Muniz, J.R.C, Krojer, T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Bullock, A. | 登録日 | 2012-09-26 | 公開日 | 2012-10-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function. Cell Rep, 22, 2018
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4BHL
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![BU of 4bhl by Molmil](/molmil-images/mine/4bhl) | Crystal structure of Litopenaeus vannamei arginine kinase in binary complex with arginine | 分子名称: | ARGININE, ARGININE KINASE, BETA-MERCAPTOETHANOL | 著者 | Lopez-Zavala, A.A, Garcia-Orozco, K.D, Carrasco-Miranda, J.S, Hernandez-Flores, J.M, Sugich-Miranda, R, Velazquez-Contreras, E.F, Criscitiello, M.F, Brieba, L.G, Rudino-Pinera, E, Sotelo-Mundo, R.R. | 登録日 | 2013-04-03 | 公開日 | 2013-09-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal Structure of Shrimp Arginine Kinase in Binary Complex with Arginine-A Molecular View of the Phosphagen Precursor Binding to the Enzyme. J.Bioenerg.Biomembr., 45, 2013
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3ZDU
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![BU of 3zdu by Molmil](/molmil-images/mine/3zdu) | Crystal structure of the human CDKL3 kinase domain | 分子名称: | 1,2-ETHANEDIOL, CYCLIN-DEPENDENT KINASE-LIKE 3, SODIUM ION, ... | 著者 | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Pike, A.C.W, Quigley, A, MacKenzie, A, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | 登録日 | 2012-11-30 | 公開日 | 2013-03-20 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function. Cell Rep, 22, 2018
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4BKN
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![BU of 4bkn by Molmil](/molmil-images/mine/4bkn) | Human Dihydropyrimidinase-related protein 3 (DPYSL3) | 分子名称: | DIHYDROPYRIMIDINASE-RELATED PROTEIN 3 | 著者 | Mathea, S, Elkins, J.M, Alegre-Abarrategui, J, Shrestha, L, Burgess-Brown, N, Puranik, S, Coutandin, D, Bradley, A, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S. | 登録日 | 2013-04-26 | 公開日 | 2013-05-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of Dpysl3 To be Published
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4BTI
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![BU of 4bti by Molmil](/molmil-images/mine/4bti) | factor Xa in complex with the dual thrombin-FXa inhibitor 58. | 分子名称: | 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ... | 著者 | Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. | 登録日 | 2013-06-18 | 公開日 | 2013-12-25 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor. J.Med.Chem., 56, 2013
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3IK4
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![BU of 3ik4 by Molmil](/molmil-images/mine/3ik4) | CRYSTAL STRUCTURE OF mandelate racemase/muconate lactonizing protein from Herpetosiphon aurantiacus | 分子名称: | GLYCEROL, Mandelate racemase/muconate lactonizing protein, POTASSIUM ION | 著者 | Patskovsky, Y, Toro, R, Dickey, M, Iizuka, M, Sauder, J.M, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2009-08-05 | 公開日 | 2009-08-18 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily. Proc.Natl.Acad.Sci.USA, 109, 2012
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3ISW
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![BU of 3isw by Molmil](/molmil-images/mine/3isw) | Crystal structure of filamin-A immunoglobulin-like repeat 21 bound to an N-terminal peptide of CFTR | 分子名称: | Cystic fibrosis transmembrane conductance regulator, Filamin-A | 著者 | Xu, Z, Page, R, Qin, J, Ithychanda, S.S, Liu, J.M, Misra, S. | 登録日 | 2009-08-27 | 公開日 | 2010-04-07 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Biochemical basis of the interaction between cystic fibrosis transmembrane conductance regulator and immunoglobulin-like repeats of filamin. J.Biol.Chem., 285, 2010
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3IIZ
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![BU of 3iiz by Molmil](/molmil-images/mine/3iiz) | X-ray structure of the FeFe-hydrogenase maturase HydE from T. maritima in complex with S-adenosyl-L-methionine | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Biotin synthetase, putative, ... | 著者 | Nicolet, Y, Amara, P, Mouesca, J.M, Fontecilla-Camps, J.C. | 登録日 | 2009-08-03 | 公開日 | 2009-09-22 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Unexpected electron transfer mechanism upon AdoMet cleavage in radical SAM proteins Proc.Natl.Acad.Sci.USA, 2009
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3IIX
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![BU of 3iix by Molmil](/molmil-images/mine/3iix) | X-ray structure of the FeFe-hydrogenase maturase HydE from T. maritima in complex with methionine and 5'deoxyadenosine | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5'-DEOXYADENOSINE, CARBONATE ION, ... | 著者 | Nicolet, Y, Amara, P, Mouesca, J.M, Fontecilla-Camps, J.C. | 登録日 | 2009-08-03 | 公開日 | 2009-09-22 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Unexpected electron transfer mechanism upon AdoMet cleavage in radical SAM proteins Proc.Natl.Acad.Sci.USA, 2009
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3TDM
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![BU of 3tdm by Molmil](/molmil-images/mine/3tdm) | Computationally designed TIM-barrel protein, HalfFLR | 分子名称: | Computationally designed two-fold symmetric TIM-barrel protein, FLR (half molecule), PHOSPHATE ION | 著者 | Harp, J.M, Fortenberry, C, Bowman, E, Profitt, W, Dorr, B, Mizoue, L. | 登録日 | 2011-08-11 | 公開日 | 2011-11-16 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Exploring symmetry as an avenue to the computational design of large protein domains. J.Am.Chem.Soc., 133, 2011
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3KF7
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![BU of 3kf7 by Molmil](/molmil-images/mine/3kf7) | Crystal Structure of Human p38alpha Complexed With a Triazolopyrimidine compound | 分子名称: | 3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide, Mitogen-activated protein kinase 14 | 著者 | Shieh, H.-S, Williams, J.M, Stegeman, R.A, Xing, L, Jerome, K.D. | 登録日 | 2009-10-27 | 公開日 | 2009-12-29 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Continued exploration of the triazolopyridine scaffold as a platform for p38 MAP kinase inhibition. Bioorg.Med.Chem.Lett., 20, 2010
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3T8M
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3RJW
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![BU of 3rjw by Molmil](/molmil-images/mine/3rjw) | Crystal structure of histone lysine methyltransferase g9a with an inhibitor | 分子名称: | 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, ... | 著者 | Dong, A, Wasney, G.A, Tempel, W, Liu, F, Barsyte, D, Allali-Hassani, A, Chen, X, Chau, I, Hajian, T, Senisterra, G, Chavda, N, Arora, K, Siarheyeva, A, Kireev, D.B, Herold, J.M, Bochkarev, A, Bountra, C, Weigelt, J, Edwards, A.M, Frye, S.V, Arrowsmith, C.H, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | 登録日 | 2011-04-15 | 公開日 | 2011-05-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | A chemical probe selectively inhibits G9a and GLP methyltransferase activity in cells. Nat.Chem.Biol., 7, 2011
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3RMG
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![BU of 3rmg by Molmil](/molmil-images/mine/3rmg) | Crystal structure of geranylgeranyl pyrophosphate synthase from bacteroides thetaiotaomicron | 分子名称: | Octaprenyl-diphosphate synthase | 著者 | Patskovsky, Y, Toro, R, Sauder, J.M, Poulter, C.D, Gerlt, J.A, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI), New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2011-04-20 | 公開日 | 2011-05-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily. Proc.Natl.Acad.Sci.USA, 110, 2013
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3S1K
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3L13
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![BU of 3l13 by Molmil](/molmil-images/mine/3l13) | Crystal Structures of Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors | 分子名称: | Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, [3-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]methanol | 著者 | Murray, J.M, Wiesmann, C. | 登録日 | 2009-12-10 | 公開日 | 2010-02-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer. J.Med.Chem., 53, 2010
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3L17
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![BU of 3l17 by Molmil](/molmil-images/mine/3l17) | Discovery of (thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer | 分子名称: | 4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Murray, J.M, Wiesmann, C. | 登録日 | 2009-12-10 | 公開日 | 2010-02-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer. J.Med.Chem., 53, 2010
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3QQV
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![BU of 3qqv by Molmil](/molmil-images/mine/3qqv) | Crystal structure of geranylgeranyl pyrophosphate synthase from corynebacterium glutamicum complexed with isoprenyl diphosphate and magnesium | 分子名称: | DIMETHYLALLYL DIPHOSPHATE, GLYCEROL, Geranylgeranyl pyrophosphate synthase, ... | 著者 | Patskovsky, Y, Toro, R, Sauder, J.M, Poulter, C.D, Gerlt, J.A, Burley, S.K, Almo, S.C, Enzyme Function Initiative (EFI), New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2011-02-16 | 公開日 | 2011-03-02 | 最終更新日 | 2021-02-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily. Proc.Natl.Acad.Sci.USA, 110, 2013
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3S1B
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3J8A
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![BU of 3j8a by Molmil](/molmil-images/mine/3j8a) | Structure of the F-actin-tropomyosin complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | 著者 | von der Ecken, J, Mueller, M, Lehman, W, Manstein, J.M, Penczek, A.P, Raunser, S. | 登録日 | 2014-10-08 | 公開日 | 2014-12-10 | 最終更新日 | 2018-07-18 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Structure of the F-actin--tropomyosin complex. Nature, 519, 2015
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3HP2
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![BU of 3hp2 by Molmil](/molmil-images/mine/3hp2) | Crystal Structure of Human p38alpha complexed with a pyridinone compound | 分子名称: | 1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | 著者 | Shieh, H.-S, Williams, J.M, Stegeman, R.A, Kurumbail, R.G. | 登録日 | 2009-06-03 | 公開日 | 2009-09-29 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Discovery of N-substituted pyridinones as potent and selective inhibitors of p38 kinase. Bioorg.Med.Chem.Lett., 19, 2009
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3HP5
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![BU of 3hp5 by Molmil](/molmil-images/mine/3hp5) | Crystal Structure of Human p38alpha complexed with a pyrimidopyridazinone compound | 分子名称: | 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one, Mitogen-activated protein kinase 14 | 著者 | Shieh, H.-S, Williams, J.M, Stegeman, R.A, Kurumbail, R.G. | 登録日 | 2009-06-03 | 公開日 | 2009-09-29 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of N-substituted pyridinones as potent and selective inhibitors of p38 kinase. Bioorg.Med.Chem.Lett., 19, 2009
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3TL5
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![BU of 3tl5 by Molmil](/molmil-images/mine/3tl5) | Discovery of GDC-0980: a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor for the Treatment of Cancer | 分子名称: | (2S)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Murray, J.M, Wiesmann, C. | 登録日 | 2011-08-29 | 公開日 | 2011-11-02 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.788 Å) | 主引用文献 | Discovery of a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor (GDC-0980) for the Treatment of Cancer. J.Med.Chem., 54, 2011
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3LOM
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![BU of 3lom by Molmil](/molmil-images/mine/3lom) | CRYSTAL STRUCTURE OF GERANYLTRANSFERASE FROM Legionella pneumophila | 分子名称: | Geranyltranstransferase, PHOSPHATE ION | 著者 | Patskovsky, Y, Toro, R, Rutter, M, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2010-02-04 | 公開日 | 2010-02-16 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily. Proc.Natl.Acad.Sci.USA, 110, 2013
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