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3WF7
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Crystal structure of S6K1 kinase domain in complex with a purine derivative 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
Descriptor: 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide, GLYCEROL, Ribosomal protein S6 kinase beta-1, ...
Authors:Niwa, H, Shirouzu, M, Yokoyama, S.
Deposit date:2013-07-17
Release date:2014-08-06
Last modified:2014-10-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15, 2014
3WF5
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Crystal structure of S6K1 kinase domain in complex with a pyrazolopyrimidine derivative 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
Descriptor: 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine, Ribosomal protein S6 kinase beta-1, ZINC ION
Authors:Niwa, H, Shirouzu, M, Yokoyama, S.
Deposit date:2013-07-17
Release date:2014-08-06
Last modified:2014-10-29
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15, 2014
3WF8
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Crystal structure of S6K1 kinase domain in complex with a quinoline derivative 2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
Descriptor: 2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate, GLYCEROL, Ribosomal protein S6 kinase beta-1, ...
Authors:Niwa, H, Shirouzu, M, Yokoyama, S.
Deposit date:2013-07-17
Release date:2014-08-06
Last modified:2014-10-29
Method:X-RAY DIFFRACTION (1.975 Å)
Cite:Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15, 2014
3WF9
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BU of 3wf9 by Molmil
Crystal structure of S6K1 kinase domain in complex with a quinoline derivative 1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
Descriptor: (2S)-1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate, GLYCEROL, Ribosomal protein S6 kinase beta-1, ...
Authors:Niwa, H, Shirouzu, M, Yokoyama, S.
Deposit date:2013-07-17
Release date:2014-08-06
Last modified:2014-10-29
Method:X-RAY DIFFRACTION (2.035 Å)
Cite:Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15, 2014
3X0W
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BU of 3x0w by Molmil
Crystal structure of PLEKHM1 LIR-fused human LC3B_2-119
Descriptor: Microtubule-associated proteins 1A/1B light chain 3B
Authors:Suzuki, H, McEwan, D.G, Popovic, D, Gubas, A, Terawaki, S, Stadel, D, Coxon, F, Stegmann, D.M, Bhogaraju, S, Maddi, K, Kirchhoff, A, Gatti, E, Helfrich, M.H, Behrends, C, Pierre, P, Dikic, I, Wakatsuki, S.
Deposit date:2014-10-22
Release date:2015-01-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:PLEKHM1 regulates autophagosome-lysosome fusion through HOPS complex and LC3/GABARAP proteins.
Mol.Cell, 57, 2015
6E7F
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BU of 6e7f by Molmil
Crystal Structure of Human Inositol Polyphosphate Multikinase (IPMK) Catalytic Core Domain
Descriptor: Inositol polyphosphate multikinase, SULFATE ION
Authors:Blind, R, Seacrist, C.
Deposit date:2018-07-26
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic and kinetic analyses of human IPMK reveal disordered domains modulate ATP binding and kinase activity.
Sci Rep, 8, 2018
6BUU
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Crystal structure of AKT1 (aa 144-480) with a bisubstrate
Descriptor: GLY-ARG-PRO-ARG-THR-THR-ZXW-PHE-ALA-GLU, MANGANESE (II) ION, RAC-alpha serine/threonine-protein kinase, ...
Authors:Chu, N, Gabelli, S.B, Cole, P.A.
Deposit date:2017-12-11
Release date:2018-08-22
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Akt Kinase Activation Mechanisms Revealed Using Protein Semisynthesis.
Cell, 174, 2018
7JWE
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BU of 7jwe by Molmil
Gedatolisib bound to the PI3Kg catalytic subunit p110 gamma
Descriptor: Gedatolisib, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Burke, J.E, Rathinaswamy, M.K, Harris, N.J.
Deposit date:2020-08-25
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Disease related mutations in PI3K gamma disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors.
Elife, 10, 2021
4N1Z
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BU of 4n1z by Molmil
Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1222
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Liu, Y.L, Xia, Y, Zhang, Y, Verma, I, Oldfield, E.
Deposit date:2013-10-04
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A combination therapy for KRAS-driven lung adenocarcinomas using lipophilic bisphosphonates and rapamycin.
Sci Transl Med, 6, 2014
4KK1
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Crystal Structure of TSC1 core domain from S. pombe
Descriptor: Tuberous sclerosis 1 protein homolog
Authors:Sun, W, Zhu, Y, Wang, Z.Z, Zhong, Q, Gao, F, Lou, J.Z, Gong, W.M, Xu, W.Q.
Deposit date:2013-05-05
Release date:2013-07-17
Last modified:2013-07-31
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of the yeast TSC1 core domain and implications for tuberous sclerosis pathological mutations.
Nat Commun, 4, 2013
4KK0
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Crystal Structure of TSC1 core domain from S. pombe
Descriptor: Tuberous sclerosis 1 protein homolog
Authors:Sun, W, Zhu, Y, Wang, Z.Z, Zhong, Q, Gao, F, Lou, J.Z, Gong, W.M, Xu, W.Q.
Deposit date:2013-05-05
Release date:2013-07-17
Last modified:2013-07-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the yeast TSC1 core domain and implications for tuberous sclerosis pathological mutations.
Nat Commun, 4, 2013
8Y0U
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dormant ribosome with STM1
Descriptor: 18S rRNA, 25S rRNA, 40S ribosomal protein S1-A, ...
Authors:Du, M, Zeng, F.
Deposit date:2024-01-23
Release date:2024-02-07
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Implication of Stm1 in the protection of eIF5A, eEF2 and tRNA through dormant ribosomes.
Front Mol Biosci, 11, 2024
4C35
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PKA-S6K1 Chimera with compound 1 (NU1085) bound
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ...
Authors:Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M.
Deposit date:2013-08-21
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
4C33
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PKA-S6K1 Chimera Apo
Descriptor: CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA
Authors:Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M.
Deposit date:2013-08-21
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
4CKR
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BU of 4ckr by Molmil
Crystal structure of the human DDR1 kinase domain in complex with DDR1-IN-1
Descriptor: 1,2-ETHANEDIOL, 4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1
Authors:Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Newman, J.A, Dixon-Clarke, S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2014-01-07
Release date:2014-01-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Potent and Selective Ddr1 Receptor Tyrosine Kinase Inhibitor.
Acs Chem.Biol., 8, 2013
4C38
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PKA-S6K1 Chimera with compound 21e (CCT239066) bound
Descriptor: 4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR PEPTIDE, ...
Authors:Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M.
Deposit date:2013-08-21
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
4EKL
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BU of 4ekl by Molmil
Akt1 with GDC0068
Descriptor: (2S)-2-(4-chlorophenyl)-1-{4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-(propan-2-ylamino)propan-1-one, RAC-alpha serine/threonine-protein kinase
Authors:Wu, W.-I, Vigers, G.P.A, Morales, T.H, Brandhuber, B.J.
Deposit date:2012-04-09
Release date:2012-05-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:An ATP-Site On-Off Switch That Restricts Phosphatase Accessibility of Akt.
Sci.Signal., 5, 2012
4C34
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PKA-S6K1 Chimera with Staurosporine bound
Descriptor: CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, GLYCEROL, ...
Authors:Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M.
Deposit date:2013-08-21
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
8JOW
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Crystal structure of rabbit antibody with phosphorylated peptide bound
Descriptor: ARG-PRO-HIS-PHE-PRO-GLN-PHE-SEP-TYR-SER-ALA-SER, Antibody (scFv), CHLORIDE ION
Authors:Caaveiro, J.M.M, Kawade, R, Tsumoto, K.
Deposit date:2023-06-08
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Origin of high binding affinity and selectivity of phosphorylated epitope-specific rabbit antibodies
To Be Published
4C36
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PKA-S6K1 Chimera with compound 15e (CCT147581) bound
Descriptor: 4-[1-(cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
Authors:Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M.
Deposit date:2013-08-21
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
4C37
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BU of 4c37 by Molmil
PKA-S6K1 Chimera with compound 21a (CCT196539) bound
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(6-bromo-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ...
Authors:Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M.
Deposit date:2013-08-21
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
4EKK
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BU of 4ekk by Molmil
Akt1 with AMP-PNP
Descriptor: Glycogen synthase kinase-3 beta, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Wu, W.-I, Vigers, G.P.A, Morales, T.H, Brandhuber, B.J.
Deposit date:2012-04-09
Release date:2012-05-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:An ATP-Site On-Off Switch That Restricts Phosphatase Accessibility of Akt.
Sci.Signal., 5, 2012
3M93
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Complex crystal structure of Ascaris suum eIF4E-3 with m7G cap
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic translation initiation factor 4E-binding protein 1, Translation initiation factor 4E
Authors:Liu, W, Berkeley Structural Genomics Center (BSGC)
Deposit date:2010-03-19
Release date:2011-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for nematode eIF4E binding an m2,2,7G-Cap and its implications for translation initiation.
Nucleic Acids Res., 39, 2011
3OCB
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BU of 3ocb by Molmil
Akt1 kinase domain with pyrrolopyrimidine inhibitor
Descriptor: (2S)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine, GSK 3 beta peptide, v-akt murine thymoma viral oncogene homolog 1 (AKT1)
Authors:Morales, T.H, Vigers, G.P.A, Brandhuber, B.J.
Deposit date:2010-08-09
Release date:2010-09-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of pyrrolopyrimidine inhibitors of Akt.
Bioorg.Med.Chem.Lett., 20, 2010
3MV5
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Crystal structure of Akt-1-inhibitor complexes
Descriptor: (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine, GSK3-beta peptide, MANGANESE (II) ION, ...
Authors:Pandit, J.
Deposit date:2010-05-03
Release date:2010-06-02
Last modified:2021-10-06
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Design of selective, ATP-competitive inhibitors of Akt.
J.Med.Chem., 53, 2010

224572

数据于2024-09-04公开中

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