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2PIP
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BU of 2pip by Molmil
Androgen receptor LBD with small molecule
Descriptor: 1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE, 1H-INDOLE-3-CARBOXYLIC ACID, 5-ALPHA-DIHYDROTESTOSTERONE, ...
Authors:Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
Deposit date:2007-04-13
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
6HJJ
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BU of 6hjj by Molmil
Crystal structure of Aurora-A L210C catalytic domain in complex with ASDO6 ligand
Descriptor: 2,5,8,11-TETRAOXATRIDECANE, ACETATE ION, Aurora kinase A, ...
Authors:Bayliss, R, McIntyre, P.J.
Deposit date:2018-09-04
Release date:2018-10-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Type II Kinase Inhibitors Targeting Cys-Gatekeeper Kinases Display Orthogonality with Wild Type and Ala/Gly-Gatekeeper Kinases.
ACS Chem. Biol., 13, 2018
7KDT
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BU of 7kdt by Molmil
Human Tom70 in complex with SARS CoV2 Orf9b
Descriptor: Mitochondrial import receptor subunit TOM70, ORF9b protein
Authors:QCRG Structural Biology Consortium
Deposit date:2020-10-09
Release date:2020-10-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms.
Science, 370, 2020
6HJK
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BU of 6hjk by Molmil
Crystal Structure of Aurora-A L210C catalytic domain in complex with ASDO2
Descriptor: (~{E})-~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide, Aurora kinase A, CHLORIDE ION, ...
Authors:Bayliss, R, McIntyre, P.J.
Deposit date:2018-09-04
Release date:2018-10-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Type II Kinase Inhibitors Targeting Cys-Gatekeeper Kinases Display Orthogonality with Wild Type and Ala/Gly-Gatekeeper Kinases.
ACS Chem. Biol., 13, 2018
4R8Q
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BU of 4r8q by Molmil
Structure and substrate recruitment of the human spindle checkpoint kinase bub1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitotic checkpoint serine/threonine-protein kinase BUB1
Authors:Tomchick, D.R, Yu, H.
Deposit date:2014-09-02
Release date:2014-11-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structure and substrate recruitment of the human spindle checkpoint kinase Bub1.
Mol.Cell, 32, 2008
5C46
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BU of 5c46 by Molmil
Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta in complex with GTP gamma S loaded Rab11
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Phosphatidylinositol 4-kinase beta, ...
Authors:Burke, J.E, Fowler, M.L.
Deposit date:2015-06-17
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Using hydrogen deuterium exchange mass spectrometry to engineer optimized constructs for crystallization of protein complexes: Case study of PI4KIII beta with Rab11.
Protein Sci., 25, 2016
5C4G
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BU of 5c4g by Molmil
Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta with the inhibitor BQR695 in complex with GDP loaded Rab11
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~2~-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]-N-methylglycinamide, ...
Authors:Burke, J.E, Fowler, M.L.
Deposit date:2015-06-18
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Using hydrogen deuterium exchange mass spectrometry to engineer optimized constructs for crystallization of protein complexes: Case study of PI4KIII beta with Rab11.
Protein Sci., 25, 2016
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
2J5E
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BU of 2j5e by Molmil
Crystal structure of EGFR kinase domain in complex with an irreversible inhibitor 13-jab
Descriptor: CHLORIDE ION, EPIDERMAL GROWTH FACTOR RECEPTOR
Authors:Yun, C.-H, Eck, M.J.
Deposit date:2006-09-14
Release date:2007-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Guided Development of Affinity Probes for Tyrosine Kinases Using Chemical Genetics.
Nat.Chem.Biol., 3, 2007
2J5F
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BU of 2j5f by Molmil
Crystal structure of EGFR kinase domain in complex with an irreversible inhibitor 34-jab
Descriptor: EPIDERMAL GROWTH FACTOR RECEPTOR, N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE
Authors:Yun, C.-H, Eck, M.J.
Deposit date:2006-09-14
Release date:2007-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-Guided Development of Affinity Probes for Tyrosine Kinases Using Chemical Genetics.
Nat.Chem.Biol., 3, 2007
2QPY
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BU of 2qpy by Molmil
AR LBD with small molecule
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Coactivator peptide, ...
Authors:Estebanez-Perpina, E, Fletterick, R.
Deposit date:2007-07-25
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
3C1B
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BU of 3c1b by Molmil
The effect of H3 K79 dimethylation and H4 K20 trimethylation on nucleosome and chromatin structure
Descriptor: Histone 2, H2bf, Histone H2A type 1, ...
Authors:Lu, X, Simon, M, Chodaparambil, J, Hansen, J, Shokat, K, Luger, K.
Deposit date:2008-01-22
Release date:2008-10-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The effect of H3K79 dimethylation and H4K20 trimethylation on nucleosome and chromatin structure.
Nat.Struct.Mol.Biol., 15, 2008
3C1C
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BU of 3c1c by Molmil
The effect of H3 K79 dimethylation and H4 K20 trimethylation on nucleosome and chromatin structure
Descriptor: Histone 2, H2bf, Histone H2A type 1, ...
Authors:Lu, X, Simon, M, Chodaparambil, J, Hansen, J, Shokat, K, Luger, K.
Deposit date:2008-01-22
Release date:2008-10-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:The effect of H3K79 dimethylation and H4K20 trimethylation on nucleosome and chromatin structure.
Nat.Struct.Mol.Biol., 15, 2008
7KKH
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BU of 7kkh by Molmil
P1A4 Fab in complex with ARS1620
Descriptor: (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, P1A4 Fab Heavy Chain, P1A4 Fab Light Chain, ...
Authors:Basu, K, Rohweder, P.J, Zhang, Z, Bohn, M.-F, Shokat, K, Craik, C.S.
Deposit date:2020-10-27
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:A covalent inhibitor of K-Ras(G12C) induces MHC class I presentation of haptenated peptide neoepitopes targetable by immunotherapy.
Cancer Cell, 40, 2022
2PIW
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BU of 2piw by Molmil
Androgen receptor with small molecule
Descriptor: 3,5,3'TRIIODOTHYRONINE, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor
Authors:Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
Deposit date:2007-04-13
Release date:2007-09-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIO
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BU of 2pio by Molmil
Androgen receptor LBD with small molecule
Descriptor: 2-METHYL-1H-INDOLE, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ...
Authors:Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
Deposit date:2007-04-13
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIQ
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BU of 2piq by Molmil
androgen receptor LBD with small molecule
Descriptor: 3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)METHYL]PHENOL, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ...
Authors:Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
Deposit date:2007-04-13
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PKL
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BU of 2pkl by Molmil
Androgen receptor LBD with small molecule
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, ARA70 peptide, Androgen receptor, ...
Authors:Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Guy, K.R, Webb, P, Fletterick, R.J.
Deposit date:2007-04-17
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIV
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BU of 2piv by Molmil
Androgen receptor with small molecule
Descriptor: 3,5,3'TRIIODOTHYRONINE, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ...
Authors:Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
Deposit date:2007-04-13
Release date:2007-09-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIR
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BU of 2pir by Molmil
Androgen receptor LBD with small molecule
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SALICYLALDEHYDE, ...
Authors:Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
Deposit date:2007-04-13
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIX
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BU of 2pix by Molmil
AR LBD with small molecule
Descriptor: 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor
Authors:Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
Deposit date:2007-04-13
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIU
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BU of 2piu by Molmil
Androgen receptor LBD with small molecule
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
Authors:Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
Deposit date:2007-04-13
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2PIT
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BU of 2pit by Molmil
Androgen receptor LBD with small molecule
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION, ...
Authors:Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R.
Deposit date:2007-04-13
Release date:2007-09-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2Y4I
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BU of 2y4i by Molmil
KSR2-MEK1 heterodimer
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, ...
Authors:Brennan, D.F, Barford, D.
Deposit date:2011-01-06
Release date:2011-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:A Raf-Induced Allosteric Transition of Ksr Stimulates Ksr and Raf Phosphorylation of Mek
Nature, 472, 2011
5JEB
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BU of 5jeb by Molmil
Crystal structure of EGFR tyrosine kinase domain with novel inhibitor of active state of HER2
Descriptor: 3-(furan-2-yl)-N-[5-(furan-2-yl)-2-methoxyphenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Epidermal growth factor receptor, SULFATE ION
Authors:Park, J.H, Lemmon, M.A.
Deposit date:2016-04-18
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.298 Å)
Cite:Overcoming resistance to HER2 inhibitors through state-specific kinase binding.
Nat.Chem.Biol., 12, 2016

226707

数据于2024-10-30公开中

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