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3EQD	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with ATP-GS and MG2P Descriptor: CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... Authors: Fischmann, T.O. Deposit date: 2008-09-30 Release date: 2009-02-24 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors. Biochemistry, 48, 2009
3E8N	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) complexed with a potent inhibitor RDEA119 and MgATP Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... Authors: Yan, S, Wang, Z.M. Deposit date: 2008-08-20 Release date: 2009-09-01 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.5 Å) Cite: RDEA119/BAY 869766: a potent, selective, allosteric inhibitor of MEK1/2 for the treatment of cancer. Cancer Res., 69, 2009
3EQB	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... Authors: Ohren, J.F, Pavlovsky, A, Zhang, E. Deposit date: 2008-09-30 Release date: 2008-11-11 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.62 Å) Cite: 2-Alkylamino- and alkoxy-substituted 2-amino-1,3,4-oxadiazoles-O-Alkyl benzohydroxamate esters replacements retain the desired inhibition and selectivity against MEK (MAP ERK kinase). Bioorg.Med.Chem.Lett., 18, 2008
3EQI	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with ADP and MG2P Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ... Authors: Fischmann, T.O. Deposit date: 2008-09-30 Release date: 2009-02-24 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors. Biochemistry, 48, 2009
3DIK	Pseudo-atomic model of the HIV-1 CA hexameric lattice Descriptor: Capsid protein p24 Authors: Ganser-Pornillos, B.K, Cheng, A, Yeager, M. Deposit date: 2008-06-20 Release date: 2008-09-16 Last modified: 2024-02-21 Method: ELECTRON CRYSTALLOGRAPHY (9 Å) Cite: Structure of full-length HIV-1 CA: a model for the mature capsid lattice Cell(Cambridge,Mass.), 131, 2007
3DY7	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP Descriptor: (5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... Authors: Ohren, J.F, Pavlovsky, A, Zhang, E. Deposit date: 2008-07-25 Release date: 2009-06-16 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK? Bioorg.Med.Chem.Lett., 19, 2009
3DV3	MEK1 with PF-04622664 Bound Descriptor: 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(2-hydroxyethoxy)methyl]benzamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... Authors: Kazmirski, S.L, Kothe, M, Ding, Y.-H. Deposit date: 2008-07-18 Release date: 2009-07-21 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK? Bioorg.Med.Chem.Lett., 19, 2009
3EQC	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with compound 1, ATP-GS AND MG2P Descriptor: 2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ... Authors: Fischmann, T.O. Deposit date: 2008-09-30 Release date: 2009-02-24 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors. Biochemistry, 48, 2009
3EQF	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with K252A and MG2P Descriptor: CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, K-252A, ... Authors: Fischmann, T.O. Deposit date: 2008-09-30 Release date: 2009-02-24 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors. Biochemistry, 48, 2009
3EQH	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with U0126, ADP and MG2P Descriptor: (2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... Authors: Fischmann, T.O. Deposit date: 2008-09-30 Release date: 2009-02-24 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors. Biochemistry, 48, 2009
3EQG	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with PD, ADP AND MG2P Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ... Authors: Fischmann, T.O. Deposit date: 2008-09-30 Release date: 2009-02-24 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors. Biochemistry, 48, 2009
6ATE	SRC kinase bound to covalent inhibitor Descriptor: N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, Proto-oncogene tyrosine-protein kinase Src Authors: Gurbani, D, Westover, K.D. Deposit date: 2017-08-28 Release date: 2019-02-27 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.402 Å) Cite: Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome. Cell Chem Biol, 26, 2019
6AXT	Structure of the T58S/T107I/P122A mutant of the HIV-1 capsid protein Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION Authors: Gres, A.T, Kirby, K.A, Sarafianos, S.G. Deposit date: 2017-09-07 Release date: 2018-09-12 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Identification of a novel element in HIV-1 capsid critical for assembly and maturation To be published
6AY9	Structure of the native full-length HIV-1 capsid protein in complex with CPSF6 peptide Descriptor: CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 6, HIV-1 capsid protein, ... Authors: Gres, A.T, Kirby, K.A, Sarafianos, S.G. Deposit date: 2017-09-07 Release date: 2018-09-12 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization. Nat Commun, 14, 2023
6B2K	E45A/R132T mutant of HIV-1 capsid protein Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION Authors: Gres, A.T, Kirby, K.A, Sarafianos, S.G. Deposit date: 2017-09-20 Release date: 2018-09-26 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (2 Å) Cite: Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization. Nat Commun, 14, 2023
6AXW	Structure of the I124A mutant of the HIV-1 capsid protein Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION Authors: Gres, A.T, Kirby, K.A, Sarafianos, S.G. Deposit date: 2017-09-07 Release date: 2018-09-12 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Identification of a Structural Element in HIV-1 Gag Required for Virus Particle Assembly and Maturation. MBio, 9, 2018
6PP9	Crystal structure of BRAF:MEK1 complex Descriptor: 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ... Authors: Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J. Deposit date: 2019-07-05 Release date: 2019-10-09 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.59 Å) Cite: Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes. Nature, 575, 2019
6AXS	Structure of the V11I/T58A/P122A mutant of the HIV-1 capsid protein Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION Authors: Gres, A.T, Kirby, K.A, Sarafianos, S.G. Deposit date: 2017-09-07 Release date: 2018-09-12 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (2.402 Å) Cite: Identification of a novel element in HIV-1 capsid critical for assembly and maturation To be published
6AYA	Structure of the native full-length HIV-1 capsid protein in complex with Nup153 peptide Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION, ... Authors: Gres, A.T, Kirby, K.A, Sarafianos, S.G. Deposit date: 2017-09-07 Release date: 2018-09-12 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization. Nat Commun, 14, 2023
6B2J	E45A mutant of HIV-1 capsid protein (other crystal form) Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION Authors: Gres, A.T, Kirby, K.A, Sarafianos, S.G. Deposit date: 2017-09-20 Release date: 2018-09-26 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.21 Å) Cite: Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization. Nat Commun, 14, 2023
6Q0K	Structure of a MAPK pathway complex Descriptor: 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf Authors: Park, E, Rawson, S, Jeon, H, Eck, M.J. Deposit date: 2019-08-01 Release date: 2019-10-09 Last modified: 2020-04-22 Method: ELECTRON MICROSCOPY (6.8 Å) Cite: Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes. Nature, 575, 2019
6AXX	Structure of the T58A/I124A mutant of the HIV-1 capsid protein Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION Authors: Gres, A.T, Kirby, K.A, Sarafianos, S.G. Deposit date: 2017-09-07 Release date: 2018-09-12 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Identification of a novel element in HIV-1 capsid critical for assembly and maturation To be published
6Q7K	ERK2 mini-fragment binding Descriptor: 1H-imidazol-2-amine, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. Deposit date: 2018-12-13 Release date: 2019-03-27 Last modified: 2019-05-22 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
6AXR	Structure of the P122A mutant of the HIV-1 capsid protein Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION Authors: Gres, A.T, Kirby, K.A, Sarafianos, S.G. Deposit date: 2017-09-07 Release date: 2018-09-12 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Identification of a Structural Element in HIV-1 Gag Required for Virus Particle Assembly and Maturation. MBio, 9, 2018
6AXV	Structure of the T58S/T107I/P122A mutant of the HIV-1 capsid protein in complex with PF-3450074 (PF74) Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION, ... Authors: Gres, A.T, Kirby, K.A, Sarafianos, S.G. Deposit date: 2017-09-07 Release date: 2018-09-12 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.77 Å) Cite: Identification of a novel element in HIV-1 capsid critical for assembly and maturation To be published

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