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8ERA
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BU of 8era by Molmil
RMC-5552 in complex with mTORC1 and FKBP12
Descriptor: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
Authors:Tomlinson, A.C.A, Yano, J.K.
Deposit date:2022-10-11
Release date:2022-12-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
8ESC
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BU of 8esc by Molmil
Structure of the Yeast NuA4 Histone Acetyltransferase Complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-related protein 4, ...
Authors:Patel, A.B, Zukin, S.A, Nogales, E.
Deposit date:2022-10-13
Release date:2022-11-16
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure and flexibility of the yeast NuA4 histone acetyltransferase complex.
Elife, 11, 2022
5DFZ
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BU of 5dfz by Molmil
Structure of Vps34 complex II from S. cerevisiae.
Descriptor: Nanobody binding S. cerevisiae Vps34, Phosphatidylinositol 3-kinase VPS34, Putative N-terminal domain of S. cerevisiae Vps30, ...
Authors:Rostislavleva, K, Soler, N, Ohashi, Y, Zhang, L, Williams, R.L.
Deposit date:2015-08-27
Release date:2015-10-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:Structure and flexibility of the endosomal Vps34 complex reveals the basis of its function on membranes.
Science, 350, 2015
5EUQ
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BU of 5euq by Molmil
Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta with a potent and selective inhibitor in complex with GDP loaded Rab11
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ...
Authors:Burke, J.E, Fowler, M.L.
Deposit date:2015-11-19
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design and Structural Characterization of Potent and Selective Inhibitors of Phosphatidylinositol 4 Kinase III beta.
J.Med.Chem., 59, 2016
5FI4
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BU of 5fi4 by Molmil
Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model
Descriptor: GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
Authors:Elling, R.A, Knapp, M.S, Han, W, Daniel, L.M, Xy, Y, Burger, M.T, Ni, Z, Smith, A, Lan, J, Williams, T, Verhagen, J, Huh, K, Merritt, H, Chan, J, Kaufman, S, Voliva, C.F, Pecchi, S.
Deposit date:2015-12-22
Release date:2016-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 26, 2016
5FBL
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BU of 5fbl by Molmil
PI4KB in complex with Rab11 and the MI356 Inhibitor
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ...
Authors:Chalupska, D, Mejdrova, I, Nencka, R, Boura, E.
Deposit date:2015-12-14
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.372 Å)
Cite:PI4KB in complex with Rab11 and the MI356 Inhibitor
To Be Published
5FBV
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BU of 5fbv by Molmil
PI4KB in complex with Rab11 and the MI364 Inhibitor
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ...
Authors:Chalupska, D, Mejdrova, I, Nencka, R, Boura, E.
Deposit date:2015-12-14
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.285 Å)
Cite:PI4KB in complex with Rab11 and the MI364 Inhibitor
To Be Published
5FLC
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BU of 5flc by Molmil
Architecture of human mTOR Complex 1 - 5.9 Angstrom reconstruction
Descriptor: FKBP, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, REGULATORY-ASSOCIATED PROTEIN OF MTOR, ...
Authors:Aylett, C.H.S, Sauer, E, Imseng, S, Boehringer, D, Hall, M.N, Ban, N, Maier, T.
Deposit date:2015-10-23
Release date:2015-12-30
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Architecture of Human Mtor Complex 1
Science, 351, 2016
5FBR
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BU of 5fbr by Molmil
PI4KB in complex with Rab11 and the MI359 Inhibitor
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ...
Authors:Chalupska, D, Mejdrova, I, Nencka, R, Boura, E.
Deposit date:2015-12-14
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:PI4KB in complex with Rab11 and the MI359 Inhibitor
To Be Published
5FBW
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BU of 5fbw by Molmil
PI4KB in complex with Rab11 and the MI369 Inhibitor
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ...
Authors:Chalupska, D, Mejdrova, I, Nencka, R, Boura, E.
Deposit date:2015-12-14
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.487 Å)
Cite:PI4KB in complex with Rab11 and the MI369 Inhibitor
To Be Published
5FBQ
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BU of 5fbq by Molmil
PI4KB in complex with Rab11 and the MI358 Inhibitor
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ...
Authors:Chalupska, D, Mejdrova, I, Nencka, R, Boura, E.
Deposit date:2015-12-14
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.789 Å)
Cite:PI4KB in complex with Rab11 and the MI358 Inhibitor
To Be Published
4JT6
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BU of 4jt6 by Molmil
structure of mTORDeltaN-mLST8-PI-103 complex
Descriptor: 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, mLST8, mTOR
Authors:Pavletich, N.P, Yang, H.
Deposit date:2013-03-22
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
4JPS
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BU of 4jps by Molmil
Co-crystal Structures of the Lipid Kinase PI3K alpha with Pan and Isoform Selective Inhibitors
Descriptor: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
Authors:Knapp, M.S, Elling, R.A.
Deposit date:2013-03-19
Release date:2014-04-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of NVP-BYL719 a potent and selective phosphatidylinositol-3 kinase alpha inhibitor selected for clinical evaluation.
Bioorg.Med.Chem.Lett., 23, 2013
4JSX
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BU of 4jsx by Molmil
structure of mTORDeltaN-mLST8-Torin2 complex
Descriptor: 9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1H)-one, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8
Authors:Pavletich, N.P, Yang, H.
Deposit date:2013-03-22
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
4JT5
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BU of 4jt5 by Molmil
mTORdeltaN-mLST8-pp242 complex
Descriptor: 2-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8
Authors:Pavletich, N.P, Yang, H.
Deposit date:2013-03-22
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
4JSN
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BU of 4jsn by Molmil
structure of mTORdeltaN-mLST8 complex
Descriptor: Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8
Authors:Pavletich, N.P.
Deposit date:2013-03-22
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
4JSV
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BU of 4jsv by Molmil
mTOR kinase structure, mechanism and regulation.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase mTOR, ...
Authors:Pavletich, N.P, Yang, H.
Deposit date:2013-03-22
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
4JSP
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BU of 4jsp by Molmil
structure of mTORDeltaN-mLST8-ATPgammaS-Mg complex
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase mTOR, ...
Authors:Pavletich, N.P, Yang, H.
Deposit date:2013-03-22
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
4L23
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BU of 4l23 by Molmil
Crystal Structure of p110alpha complexed with niSH2 of p85alpha and PI-103
Descriptor: 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
Deposit date:2013-06-04
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
4L2Y
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BU of 4l2y by Molmil
Crystal Structure of p110alpha complexed with niSH2 of p85alpha and compound 9d
Descriptor: 3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
Deposit date:2013-06-05
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
4L1B
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BU of 4l1b by Molmil
Crystal Structure of p110alpha complexed with niSH2 of p85alpha
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION
Authors:Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
Deposit date:2013-06-03
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.586 Å)
Cite:Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
2Y3A
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BU of 2y3a by Molmil
Crystal structure of p110beta in complex with icSH2 of p85beta and the drug GDC-0941
Descriptor: 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY SUBUNIT BETA, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT BETA ISOFORM
Authors:Zhang, X, Vadas, O, Perisic, O, Williams, R.L.
Deposit date:2010-12-20
Release date:2011-03-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of Lipid Kinase P110Beta-P85Beta Elucidates an Unusual Sh2-Domain-Mediated Inhibitory Mechanism.
Mol.Cell, 41, 2011
8RCK
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BU of 8rck by Molmil
CryoEM structure of mTORC1 with a paediatric kidney cancer-associated 1455-EWED-1458 duplication in mTOR, Focused on one protomer copy.
Descriptor: Eukaryotic translation initiation factor 4E-binding protein 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Anandapadamanaban, M, Hay, I.M, Perisic, O, Williams, R.L.
Deposit date:2023-12-06
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:CryoEM structure of mTORC1 with a paediatric kidney cancer-associated 1455-EWED-1458 duplication in mTOR, Focused on one protomer copy.
To Be Published
8RCH
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BU of 8rch by Molmil
CryoEM structure of mTORC1 with a paediatric kidney cancer-associated 1455-EWED-1458 duplication in mTOR, overall refinement
Descriptor: Eukaryotic translation initiation factor 4E-binding protein 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Anandapadamanaban, M, Hay, I.M, Perisic, O, Williams, R.L.
Deposit date:2023-12-06
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (4 Å)
Cite:cryoEM structure of mTORC1 with the cancer-associated 1455-EWED-1458 duplication variant, overall refinement
To Be Published
8RCN
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BU of 8rcn by Molmil
CryoEM structure of mTORC1 with a paediatric kidney cancer-associated 1455-EWED-1458 duplication in mTOR, Focused region of mTOR and RAPTOR on one protomer copy.
Descriptor: Eukaryotic translation initiation factor 4E-binding protein 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Anandapadamanaban, M, Hay, I.M, Perisic, O, Williams, R.L.
Deposit date:2023-12-06
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:CryoEM structure of mTORC1 with a paediatric kidney cancer-associated 1455-EWED-1458 duplication in mTOR, Focused region of mTOR and RAPTOR on one protomer copy.
To Be Published

238582

数据于2025-07-09公开中

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