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PDB: 171 results

5WIK
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BU of 5wik by Molmil
JAK2 Pseudokinase in complex with BI-D1870
Descriptor: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, Tyrosine-protein kinase JAK2
Authors:Li, Q, Eck, M.J, Li, K, Park, E.
Deposit date:2017-07-19
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain.
ACS Chem. Biol., 14, 2019
5WIM
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BU of 5wim by Molmil
JAK2 Pseudokinase in complex with AT9283
Descriptor: 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, Tyrosine-protein kinase JAK2
Authors:Li, Q, Eck, M.J, Li, K, Park, E.
Deposit date:2017-07-19
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain.
ACS Chem. Biol., 14, 2019
4CYE
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BU of 4cye by Molmil
Crystal structure of avian FAK FERM domain FAK31-405 at 3.2A
Descriptor: FOCAL ADHESION KINASE 1
Authors:Goni, G.M, Epifano, C, Boskovic, J, Camacho-Artacho, M, Zhou, J, Martin, M.T, Eck, M.J, Kremer, L, Graeter, F, Gervasio, F.L, Perez-Moreno, M, Lietha, D.
Deposit date:2014-04-10
Release date:2014-04-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Phosphatidylinositol 4,5-Bisphosphate Triggers Activation of Focal Adhesion Kinase by Inducing Clustering and Conformational Changes.
Proc.Natl.Acad.Sci.USA, 111, 2014
1I3Z
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BU of 1i3z by Molmil
MURINE EAT2 SH2 DOMAIN IN COMPLEX WITH SLAM PHOSPHOPEPTIDE
Descriptor: EWS/FLI1 ACTIVATED TRANSCRIPT 2, SIGNALING LYMPHOCYTIC ACTIVATION MOLECULE
Authors:Lu, J, Poy, F, Morra, M, Terhorst, C, Eck, M.J.
Deposit date:2001-02-19
Release date:2003-04-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for the interaction of the free SH2 domain EAT-2 with SLAM receptors in hematopoietic cells.
Eur.J.Biochem., 20, 2001
2AEH
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BU of 2aeh by Molmil
Focal adhesion kinase 1
Descriptor: Focal adhesion kinase 1
Authors:Ceccarelli, D.F, Song, H.K, Poy, F, Schaller, M.D, Eck, M.J.
Deposit date:2005-07-22
Release date:2005-10-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Crystal Structure of the FERM Domain of Focal Adhesion Kinase
J.Biol.Chem., 281, 2006
7U99
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BU of 7u99 by Molmil
EGFR kinase in complex with a macrocyclic inhibitor
Descriptor: 19-chloro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine, CITRATE ANION, Epidermal growth factor receptor
Authors:Beyett, T.S, Eck, M.J.
Deposit date:2022-03-10
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Macrocyclization of Quinazoline-Based EGFR Inhibitors Leads to Exclusive Mutant Selectivity for EGFR L858R and Del19.
J.Med.Chem., 65, 2022
7U9A
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BU of 7u9a by Molmil
EGFR in complex with a macrocyclic inhibitor
Descriptor: 4-(5-chloro-4-fluoro-2-hydroxyanilino)-7-methoxyquinazolin-6-ol, CITRATE ANION, Epidermal growth factor receptor
Authors:Beyett, T.S, Eck, M.J.
Deposit date:2022-03-10
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Macrocyclization of Quinazoline-Based EGFR Inhibitors Leads to Exclusive Mutant Selectivity for EGFR L858R and Del19.
J.Med.Chem., 65, 2022
7U98
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BU of 7u98 by Molmil
EGFR(T790M/V948R) in complex with a macrocyclic inhibitor
Descriptor: 19-chloro-18-fluoro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine, Epidermal growth factor receptor
Authors:Beyett, T.S, Eck, M.J.
Deposit date:2022-03-10
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Macrocyclization of Quinazoline-Based EGFR Inhibitors Leads to Exclusive Mutant Selectivity for EGFR L858R and Del19.
J.Med.Chem., 65, 2022
2AL6
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BU of 2al6 by Molmil
FERM domain of Focal Adhesion Kinase
Descriptor: Focal adhesion kinase 1
Authors:Ceccarelli, D.F, Song, H.K, Poy, F, Schaller, M.D, Eck, M.J.
Deposit date:2005-08-04
Release date:2005-10-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of the FERM Domain of Focal Adhesion Kinase
J.Biol.Chem., 281, 2006
4Z32
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BU of 4z32 by Molmil
Crystal Structure of the FERM-SH2 Domains of Jak2
Descriptor: Tyrosine-protein kinase JAK2
Authors:McNally, R, Eck, M.J.
Deposit date:2015-03-30
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Crystal Structure of the FERM-SH2 Module of Human Jak2.
Plos One, 11, 2016
2CBL
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BU of 2cbl by Molmil
N-TERMINAL DOMAIN OF CBL IN COMPLEX WITH ITS BINDING SITE ON ZAP-70
Descriptor: CALCIUM ION, PROTO-ONCOGENE CBL, ZAP-70
Authors:Meng, W, Sawasdikosol, S, Burakoff, S.J, Eck, M.J.
Deposit date:1998-08-28
Release date:1999-05-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the amino-terminal domain of Cbl complexed to its binding site on ZAP-70 kinase.
Nature, 398, 1999
5D41
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BU of 5d41 by Molmil
EGFR kinase domain in complex with mutant selective allosteric inhibitor
Descriptor: (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ...
Authors:Yun, C.-H, Park, E, Eck, M.J.
Deposit date:2015-08-07
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Overcoming EGFR(T790M) and EGFR(C797S) resistance with mutant-selective allosteric inhibitors.
Nature, 534, 2016
2F31
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BU of 2f31 by Molmil
Crystal structure of the autoinhibitory switch in Formin mDia1; the DID/DAD complex
Descriptor: Diaphanous protein homolog 1
Authors:Nezami, A.G, Poy, F, Eck, M.J.
Deposit date:2005-11-18
Release date:2006-05-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the Autoinhibitory Switch in Formin mDia1
Structure, 14, 2006
3IKA
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BU of 3ika by Molmil
Crystal Structure of EGFR 696-1022 T790M Mutant Covalently Binding to WZ4002
Descriptor: Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
Authors:Yun, C.-H, Eck, M.J.
Deposit date:2009-08-05
Release date:2010-01-12
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Novel mutant-selective EGFR kinase inhibitors against EGFR T790M.
Nature, 462, 2009
1U5D
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BU of 1u5d by Molmil
Crystal Structure of the PH domain of SKAP55
Descriptor: SULFATE ION, Src Kinase-associated Phosphoprotein of 55 kDa
Authors:Tang, Y, Swanson, K.D, Neel, B.G, Eck, M.J.
Deposit date:2004-07-27
Release date:2005-07-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis for the Dimerization and Phosphoinositide Specificity of the Src Kinase-associated Phosphoproteins SKAP55 and SKAP-Hom
To be Published
1U5G
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BU of 1u5g by Molmil
Crystal Structure of the PH Domain of SKAP-Hom
Descriptor: Src-associated adaptor protein
Authors:Tang, Y, Swanson, K, Neel, B.G, Eck, M.J.
Deposit date:2004-07-27
Release date:2005-07-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Skap-hom dimerization and PH domains comprise a 3'-phosphoinositide-gated molecular switch.
Mol.Cell, 32, 2008
1UX4
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BU of 1ux4 by Molmil
Crystal structures of a Formin Homology-2 domain reveal a tethered-dimer architecture
Descriptor: BNI1 PROTEIN
Authors:Xu, Y, Moseley, J.B, Sagot, I, Poy, F, Pellman, D, Goode, B.L, Eck, M.J.
Deposit date:2004-02-19
Release date:2004-03-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal Structures of a Formin Homology-2 Domain Reveal a Tethered Dimer Architecture
Cell(Cambridge,Mass.), 116, 2004
1UX5
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BU of 1ux5 by Molmil
Crystal Structures of a Formin Homology-2 domain reveal a flexibly tethered dimer architecture
Descriptor: BNI1 PROTEIN
Authors:Xu, Y, Moseley, J.B, Sagot, I, Poy, F, Pellman, D, Goode, B.L, Eck, M.J.
Deposit date:2004-02-19
Release date:2004-03-11
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of a Formin Homology-2 Domain Reveal a Tethered Dimer Architecture
Cell(Cambridge,Mass.), 116, 2004
2OTX
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BU of 2otx by Molmil
Crystal Structure of A N-terminal Fragment of SKAP-HOM Containing both the Helical Dimerization Domain and the PH Domain
Descriptor: Src kinase-associated phosphoprotein 2
Authors:Tang, Y, Swanson, K.D, Neel, B.G, Eck, M.J.
Deposit date:2007-02-09
Release date:2007-03-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Skap-hom dimerization and PH domains comprise a 3'-phosphoinositide-gated molecular switch.
Mol.Cell, 32, 2008
8DSW
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BU of 8dsw by Molmil
Crystal structure of EGFR kinase domain, Exon20 Insertion FQEA mutant
Descriptor: Epidermal growth factor receptor, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Park, E, Eck, M.J.
Deposit date:2022-07-23
Release date:2023-09-27
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural basis for oncogenic activation of the epidermal growth factor receptor by the InsFQEA exon 20 insertion
To Be Published
8F7O
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BU of 8f7o by Molmil
BRAF kinase in complex with TAK580 (tovorafenib)
Descriptor: 6-amino-5-chloro-N-[(1R)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide, Serine/threonine-protein kinase B-raf
Authors:Tkacik, E, Li, K, Gonzalez Del-Pino, G, Eck, M.J.
Deposit date:2022-11-20
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.54 Å)
Cite:Structure and RAF family kinase isoform selectivity of type II RAF inhibitors tovorafenib and naporafenib.
J.Biol.Chem., 299, 2023
8F7P
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BU of 8f7p by Molmil
BRAF kinase in complex with LXH254 (naporafenib)
Descriptor: N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide, Serine/threonine-protein kinase B-raf
Authors:Tkacik, E, Li, K, Gonzalez Del-Pino, G, Eck, M.J.
Deposit date:2022-11-20
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structure and RAF family kinase isoform selectivity of type II RAF inhibitors tovorafenib and naporafenib.
J.Biol.Chem., 299, 2023
8EME
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BU of 8eme by Molmil
EGFR(T790M/V948R) in complex with ZNL-0056
Descriptor: Epidermal growth factor receptor, N-{7-methyl-1-[(3S)-1-(prop-2-enoyl)azepan-3-yl]-1H-benzimidazol-2-yl}-5-(prop-2-enamido)thiophene-3-carboxamide
Authors:Beyett, T.S, Eck, M.J.
Deposit date:2022-09-27
Release date:2023-10-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Molecular Bidents with Two Electrophilic Warheads as a New Pharmacological Modality
Acs Cent.Sci., 2024
8F1Z
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BU of 8f1z by Molmil
EGFR kinase in complex with Bayer #33
Descriptor: (2P)-3-(3-chloro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, CITRIC ACID, Epidermal growth factor receptor
Authors:Beyett, T.S, Eck, M.J.
Deposit date:2022-11-06
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:EGFR kinase in complex with Bayer #33
To be published
8F1W
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BU of 8f1w by Molmil
EGFR(T790M/V948R) kinase in complex with poziotinib
Descriptor: 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one, Epidermal growth factor receptor
Authors:Beyett, T.S, Eck, M.J.
Deposit date:2022-11-06
Release date:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:EGFR(T790M/V948R) kinase in complex with poziotinib
To be published

220472

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