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4C34
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BU of 4c34 by Molmil
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
4C38
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BU of 4c38 by Molmil
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
4L43
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BU of 4l43 by Molmil
Crystal structures of human p70S6K1-T389A (form I)
Descriptor: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein
Authors:Wang, J, Zhong, C, Ding, J.
Deposit date:2013-06-07
Release date:2013-07-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
4C35
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BU of 4c35 by Molmil
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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BU of 4c33 by Molmil
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
4L45
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BU of 4l45 by Molmil
Crystal structures of human p70S6K1-T389E
Descriptor: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein
Authors:Wang, J, Zhong, C, Ding, J.
Deposit date:2013-06-07
Release date:2013-07-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 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
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
4L44
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BU of 4l44 by Molmil
Crystal structures of human p70S6K1-T389A (form II)
Descriptor: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, SULFATE ION, ...
Authors:Wang, J, Zhong, C, Ding, J.
Deposit date:2013-06-07
Release date:2013-07-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
4L42
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BU of 4l42 by Molmil
Crystal structures of human p70S6K1-PIF
Descriptor: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, SULFATE ION, ...
Authors:Wang, J, Zhong, C, Ding, J.
Deposit date:2013-06-07
Release date:2013-07-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
4L46
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BU of 4l46 by Molmil
Crystal structures of human p70S6K1-WT
Descriptor: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, SULFATE ION, ...
Authors:Wang, J, Zhong, C, Ding, J.
Deposit date:2013-06-07
Release date:2013-07-24
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
4C36
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BU of 4c36 by Molmil
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
4KK1
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BU of 4kk1 by Molmil
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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BU of 4kk0 by Molmil
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
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
3M94
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BU of 3m94 by Molmil
Complex crystal structure of Ascaris suum eIF4E-3 with m2,2,7G cap
Descriptor: ACETYL GROUP, Eukaryotic translation initiation factor 4E-binding protein 1, N,N,7-trimethylguanosine 5'-(trihydrogen diphosphate), ...
Authors:Liu, W, Berkeley Structural Genomics Center (BSGC)
Deposit date:2010-03-19
Release date:2011-07-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for nematode eIF4E binding an m2,2,7G-Cap and its implications for translation initiation.
Nucleic Acids Res., 39, 2011
3M93
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BU of 3m93 by Molmil
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
3MVH
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BU of 3mvh by Molmil
Crystal structure of Akt-1-inhibitor complexes
Descriptor: GSK3-beta peptide, MANGANESE (II) ION, N-{[(3S)-3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide, ...
Authors:Pandit, J.
Deposit date:2010-05-04
Release date:2010-06-02
Last modified:2021-10-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Design of selective, ATP-competitive inhibitors of Akt.
J.Med.Chem., 53, 2010
3MV5
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BU of 3mv5 by Molmil
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
3OW4
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BU of 3ow4 by Molmil
Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors
Descriptor: (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, GSK 3 beta peptide, RAC-alpha serine/threonine-protein kinase
Authors:Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J.
Deposit date:2010-09-17
Release date:2010-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
7U8O
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BU of 7u8o by Molmil
Structure of porcine V-ATPase with mEAK7 and SidK, Rotary state 2
Descriptor: ATPase H(+)-transporting lysosomal accessory protein 2, ATPase H+ transporting accessory protein 1, Bacterial effector protein SidK, ...
Authors:Tan, Y.Z, Keon, K.A.
Deposit date:2022-03-09
Release date:2022-07-06
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:CryoEM of endogenous mammalian V-ATPase interacting with the TLDc protein mEAK-7.
Life Sci Alliance, 5, 2022
7U8Q
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BU of 7u8q by Molmil
Structure of porcine kidney V-ATPase with SidK, Rotary State 2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase H(+)-transporting lysosomal accessory protein 2, ATPase H+ transporting accessory protein 1, ...
Authors:Tan, Y.Z, Keon, K.A.
Deposit date:2022-03-09
Release date:2022-07-06
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:CryoEM of endogenous mammalian V-ATPase interacting with the TLDc protein mEAK-7.
Life Sci Alliance, 5, 2022
7U8P
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BU of 7u8p by Molmil
Structure of porcine kidney V-ATPase with SidK, Rotary State 1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATPase H(+)-transporting lysosomal accessory protein 2, ATPase H+ transporting accessory protein 1, ...
Authors:Tan, Y.Z, Keon, K.A.
Deposit date:2022-03-09
Release date:2022-07-06
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:CryoEM of endogenous mammalian V-ATPase interacting with the TLDc protein mEAK-7.
Life Sci Alliance, 5, 2022

221051

數據於2024-06-12公開中

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