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5TX3
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BU of 5tx3 by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
Descriptor: 7-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-2-({3-[(pyrrolidin-1-yl)methyl]phenyl}amino)-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one, Maternal embryonic leucine zipper kinase
Authors:Li, Q, Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S, Eck, M.J.
Deposit date:2016-11-15
Release date:2017-11-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
5TWU
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BU of 5twu by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
Descriptor: Maternal embryonic leucine zipper kinase
Authors:Li, Q, Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S, Eck, M.J.
Deposit date:2016-11-14
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
3O0Z
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BU of 3o0z by Molmil
Crystal structure of a coiled-coil domain from human ROCK I
Descriptor: Rho-associated protein kinase 1
Authors:Tu, D, Eck, M.J.
Deposit date:2010-07-20
Release date:2011-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal Structure of a Coiled-Coil Domain from Human ROCK I.
Plos One, 6, 2011
3OKQ
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BU of 3okq by Molmil
Crystal structure of a core domain of yeast actin nucleation cofactor Bud6
Descriptor: Bud site selection protein 6
Authors:Tu, D, Eck, M.J.
Deposit date:2010-08-25
Release date:2011-09-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.044 Å)
Cite:Structure of the formin-interaction domain of the actin nucleation-promoting factor Bud6.
Proc.Natl.Acad.Sci.USA, 109, 2012
3ONX
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BU of 3onx by Molmil
Crystal structure of a domain of a protein involved in formation of actin cytoskeleton
Descriptor: Bud site selection protein 6
Authors:Tu, D, Eck, M.J.
Deposit date:2010-08-30
Release date:2011-10-12
Last modified:2012-12-26
Method:X-RAY DIFFRACTION (2.904 Å)
Cite:Structure of the formin-interaction domain of the actin nucleation-promoting factor Bud6.
Proc.Natl.Acad.Sci.USA, 109, 2012
5WIN
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BU of 5win by Molmil
JAK2 Pseudokinase in complex with JNJ7706621
Descriptor: 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, 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 (2.38 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
5WFN
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BU of 5wfn by Molmil
Revised model of leiomodin 2-mediated actin regulation (alternate refinement of PDB 4RWT)
Descriptor: Actin-5C, Leiomodin-2, MAGNESIUM ION, ...
Authors:Yurtsever, Z, Eck, M.J, Dominguez, R.
Deposit date:2017-07-12
Release date:2017-08-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of leiomodin 2 in complex with actin: a structural and functional reexamination
Biophys.J., 113, 2017
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
5WIJ
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BU of 5wij by Molmil
JAK2 Pseudokinase in complex with NU6140
Descriptor: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, 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 (2.04 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
5WIL
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BU of 5wil by Molmil
JAK2 Pseudokinase in complex with AZD7762
Descriptor: 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, 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 (2.2 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
4IM2
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BU of 4im2 by Molmil
Structure of Tank-Binding Kinase 1
Descriptor: CHLORIDE ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1
Authors:Tu, D, Eck, M.J.
Deposit date:2013-01-01
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5001 Å)
Cite:Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
4IM0
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BU of 4im0 by Molmil
Structure of Tank-Binding Kinase 1
Descriptor: N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase TBK1
Authors:Tu, D, Eck, M.J.
Deposit date:2013-01-01
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4001 Å)
Cite:Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
4IM3
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BU of 4im3 by Molmil
Structure of Tank-Binding Kinase 1
Descriptor: CHLORIDE ION, MERCURY (II) ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, ...
Authors:Tu, D, Eck, M.J.
Deposit date:2013-01-01
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.342 Å)
Cite:Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
6V5N
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BU of 6v5n by Molmil
EGFR(T790M/V948R) in complex with LN2084
Descriptor: 3-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]propan-1-ol, CHLORIDE ION, Epidermal growth factor receptor
Authors:Heppner, D.E, Eck, M.J.
Deposit date:2019-12-04
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
6V6O
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BU of 6v6o by Molmil
EGFR(T790M/V948R) in complex with LN2380
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
Authors:Heppner, D.E, Eck, M.J.
Deposit date:2019-12-05
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
6VHP
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BU of 6vhp by Molmil
Wild type EGFR in complex with LN2899
Descriptor: Epidermal growth factor receptor, N-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1H-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide
Authors:Heppner, D.E, Eck, M.J.
Deposit date:2020-01-10
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
6V2U
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BU of 6v2u by Molmil
Crystal structure of the insect cell-expressed WT-BRAF kinase in complex with Dabrafenib
Descriptor: CHLORIDE ION, Dabrafenib, Serine/threonine-protein kinase B-raf
Authors:Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J.
Deposit date:2019-11-25
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.78 Å)
Cite:Crystal structure of the insect cell-expressed WT-BRAF kinase in complex with Dabrafenib
To Be Published
6V2W
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BU of 6v2w by Molmil
Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J.
Deposit date:2019-11-25
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
6V34
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BU of 6v34 by Molmil
Crystal structure of BRAF V600E oncogenic mutant in complex with TAK-580
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:Gonzalez Del-Pino, G, Li, K, Eck, M.J.
Deposit date:2019-11-25
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Crystal structure of BRAF V600E oncogenic mutant in complex with TAK-580
To Be Published
6V6K
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BU of 6v6k by Molmil
EGFR(T790M/V948R) in complex with LN2057
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
Authors:Heppner, D.E, Eck, M.J.
Deposit date:2019-12-05
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
6V66
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BU of 6v66 by Molmil
EGFR(T790M/V948R) in complex with LN2899
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Epidermal growth factor receptor, ...
Authors:Heppner, D.E, Eck, M.J.
Deposit date:2019-12-04
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
6VH4
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BU of 6vh4 by Molmil
Wild type EGFR in complex with LN2380
Descriptor: Epidermal growth factor receptor, N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
Authors:Heppner, D.E, Eck, M.J.
Deposit date:2020-01-09
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
6V5P
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BU of 6v5p by Molmil
EGFR(T790M/V948R) in complex with LN2725
Descriptor: 4-[4-(4-fluorophenyl)-2-(3-methoxypropyl)-1H-imidazol-5-yl]-2-phenyl-3H-pyrrolo[2,3-b]pyridine, CHLORIDE ION, Epidermal growth factor receptor
Authors:Heppner, D.E, Eck, M.J.
Deposit date:2019-12-04
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
6VHN
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BU of 6vhn by Molmil
Wild type EGFR in complex with LN2057
Descriptor: Epidermal growth factor receptor, N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
Authors:Heppner, D.E, Eck, M.J.
Deposit date:2020-01-10
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020

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