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5NP0
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Closed dimer of human ATM (Ataxia telangiectasia mutated)
Descriptor: Serine-protein kinase ATM
Authors:Baretic, D, Pollard, H.K, Fisher, D.I, Johnson, C.M, Santhanam, B, Truman, C.M, Kouba, T, Fersht, A.R, Phillips, C, Williams, R.L.
Deposit date:2017-04-13
Release date:2017-05-17
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Structures of closed and open conformations of dimeric human ATM.
Sci Adv, 3, 2017
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
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
8DKE
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BU of 8dke by Molmil
Cryo-EM structure of cystinosin in a cytosol-open state
Descriptor: Fab 3H5 Heavy chain, Fab 3H5 Kappa chain, Isoform 2 of Cystinosin
Authors:Schmiege, P, Li, X.
Deposit date:2022-07-05
Release date:2022-09-21
Last modified:2022-10-12
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structure and mechanism of human cystine exporter cystinosin.
Cell, 185, 2022
8DKW
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BU of 8dkw by Molmil
Cryo-EM structure of cystinosin N288K mutant in a cytosol-open state at pH5.0
Descriptor: Fab 3H5 Heavy Chain, Fab 3H5 Kappa Chain, Isoform 2 of Cystinosin
Authors:Schmiege, P, Li, X.
Deposit date:2022-07-06
Release date:2022-09-21
Last modified:2022-10-12
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structure and mechanism of human cystine exporter cystinosin.
Cell, 185, 2022
8DKI
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Cryo-EM structure of cystinosin in a lumen-open state
Descriptor: Fab 3H5 Heavy Chain, Fab 3H5 Kappa chain, Isoform 2 of Cystinosin
Authors:Schmiege, P, Li, X.
Deposit date:2022-07-05
Release date:2022-09-21
Last modified:2022-10-12
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Structure and mechanism of human cystine exporter cystinosin.
Cell, 185, 2022
8DKX
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BU of 8dkx by Molmil
Cryo-EM structure of cystinosin N288K mutant in a cytosol-open state at pH7.5
Descriptor: Fab 3H5 Heavy Chain, Fab 3H5 Kappa Chain, Isoform 2 of Cystinosin
Authors:Schmiege, P, Li, X.
Deposit date:2022-07-06
Release date:2022-09-21
Last modified:2022-10-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure and mechanism of human cystine exporter cystinosin.
Cell, 185, 2022
8DKM
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BU of 8dkm by Molmil
Cryo-EM structure of cystine-bound cystinosin in a lumen-open state
Descriptor: Fab 3H5 Heavy Chain, Fab 3H5 Kappa chain, Isoform 2 of Cystinosin, ...
Authors:Schmiege, P, Li, X.
Deposit date:2022-07-05
Release date:2022-09-21
Last modified:2022-10-12
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Structure and mechanism of human cystine exporter cystinosin.
Cell, 185, 2022
5D9G
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BU of 5d9g by Molmil
Crystal structure of TIPRL, TOR signaling pathway regulator-like, in complex with peptide
Descriptor: CHLORIDE ION, NICKEL (II) ION, PHOSPHATE ION, ...
Authors:Scorsato, V, Sandy, J, Brandao-Neto, J, Pereira, H.M, Smetana, J.H.C, Aparicio, R.
Deposit date:2015-08-18
Release date:2016-08-10
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of the human Tip41 orthologue, TIPRL, reveals a novel fold and a binding site for the PP2Ac C-terminus.
Sci Rep, 6, 2016
8DYP
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BU of 8dyp by Molmil
Crystal structure of human cystine transporter cystinosin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Cystinosin, Nanobody P10, ...
Authors:Guo, X, Feng, L.
Deposit date:2022-08-04
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure and mechanism of human cystine exporter cystinosin.
Cell, 185, 2022
8FNY
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BU of 8fny by Molmil
Nucleotide-bound structure of a functional construct of eukaryotic elongation factor 2 kinase.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R.
Deposit date:2022-12-28
Release date:2023-05-03
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:ADP enhances the allosteric activation of eukaryotic elongation factor 2 kinase by calmodulin.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FO6
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BU of 8fo6 by Molmil
Nucleotide-free structure of a functional construct of eukaryotic elongation factor 2 kinase.
Descriptor: CALCIUM ION, Calmodulin-1, Eukaryotic elongation factor 2 kinase, ...
Authors:Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R.
Deposit date:2022-12-29
Release date:2023-05-03
Method:X-RAY DIFFRACTION (2.553 Å)
Cite:ADP enhances the allosteric activation of eukaryotic elongation factor 2 kinase by calmodulin.
Proc.Natl.Acad.Sci.USA, 120, 2023
7N8B
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BU of 7n8b by Molmil
Cycloheximide bound vacant 80S structure isolated from cbf5-D95A
Descriptor: 18S RIBOSOMAL RNA, 25S, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ...
Authors:Rai, J, Zhao, Y, Li, H.
Deposit date:2021-06-14
Release date:2022-05-11
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:CryoEM structures of pseudouridine-free ribosome suggest impacts of chemical modifications on ribosome conformations.
Structure, 30, 2022
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
7OLE
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BU of 7ole by Molmil
Cryo-EM structure of the TELO2-TTI1-TTI2-RUVBL1-RUVBL2 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, RuvB-like 1, RuvB-like 2, ...
Authors:Pal, M, Llorca, O, Pearl, L.
Deposit date:2021-05-19
Release date:2021-07-07
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Structure of the TELO2-TTI1-TTI2 complex and its function in TOR recruitment to the R2TP chaperone.
Cell Rep, 36, 2021
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
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
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
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
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
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
4GV1
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BU of 4gv1 by Molmil
PKB alpha in complex with AZD5363
Descriptor: 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide, GLYCEROL, RAC-alpha serine/threonine-protein kinase
Authors:Addie, M, Ballard, P, Bird, G, Buttar, D, Currie, G, Davies, B, Debreczeni, J, Dry, H, Dudley, P, Greenwood, R, Hatter, G, Jestel, A, Johnson, P.D, Kettle, J.G, Lane, C, Lamont, G, Leach, A, Luke, R.W.A, Ogilvie, D, Page, K, Pass, M, Steinbacher, S, Steuber, H, Pearson, S, Ruston, L.
Deposit date:2012-08-30
Release date:2013-02-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Discovery of 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an Orally Bioavailable, Potent Inhibitor of Akt Kinases.
J.Med.Chem., 56, 2013

221716

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