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7JUU	Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor PD0325901 Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2, MAGNESIUM ION, ... Authors: Khan, Z.M, Dar, A.C. Deposit date: 2020-08-20 Release date: 2020-09-30 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (3.19 Å) Cite: Structural basis for the action of the drug trametinib at KSR-bound MEK. Nature, 588, 2020
7QDF	Hexameric HIV-1 (M-group) CA R120 mutant Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, Gag polyprotein, ... Authors: Govasli, M.A.L, Pinotsis, N, McAlpine-Scott, S. Deposit date: 2021-11-26 Release date: 2022-10-19 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.304 Å) Cite: Evasion of cGAS and TRIM5 defines pandemic HIV. Nat Microbiol, 7, 2022
7RHN	Co-crystal structure of Q67H mutant of disulfide stabilized HIV-1 CA hexamer and lenacapavir Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION, ... Authors: Bester, S.M, Kvaratskhelia, M. Deposit date: 2021-07-17 Release date: 2022-07-27 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.46 Å) Cite: Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir. Mbio, 13, 2022
7RJ2	Co-crystal structure of lenacapavir bound to Q67H/N74D mutant of disulfide stabilized HIV-1 CA hexamer Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION, ... Authors: Bester, S.M, Kvaratskhelia, M. Deposit date: 2021-07-20 Release date: 2022-07-27 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.32 Å) Cite: Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir. Mbio, 13, 2022
7RHM	Structure of Q67H/N74D mutant of disulfide stabilized HIV-1 CA hexamer Descriptor: CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION Authors: Bester, S.M, Kvaratskhelia, M. Deposit date: 2021-07-17 Release date: 2022-07-27 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.16 Å) Cite: Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir. Mbio, 13, 2022
7RJ4	Co-crystal structure of lenacapavir bound to N74D mutant of disulfide stabilized HIV-1 CA hexamer Descriptor: CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION, ... Authors: Bester, S.M, Kvaratskhelia, M. Deposit date: 2021-07-20 Release date: 2022-07-27 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (3.32 Å) Cite: Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir. Mbio, 13, 2022
7RAR	Structure of Q67H mutant of disulfide stabilized HIV-1 CA hexamer Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION Authors: Bester, S.M, Kvaratskhelia, M. Deposit date: 2021-07-02 Release date: 2022-09-28 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir. Mbio, 13, 2022
7RAO	Structure of M66I mutant of disulfide stabilized HIV-1 CA hexamer Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION Authors: Bester, S.M, Kvaratskhelia, M. Deposit date: 2021-07-02 Release date: 2022-11-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.29 Å) Cite: Structural and mechanistic bases of viral resistance to long-acting HIV-1 capsid inhibitor, Lenacapavir To Be Published
4S32	Crystal structure of ERK2 AMP-PNP complex Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... Authors: Livnah, O, Karamansha, Y, Tzarum, N. Deposit date: 2015-01-26 Release date: 2016-01-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.34 Å) Cite: Crystal structure of ERK2 AMP-PNP complex To be Published
4S30	ERK2 intrinsically active mutant (I84A) Descriptor: Mitogen-activated protein kinase 1 Authors: Livnah, O, Karamansha, Y. Deposit date: 2015-01-26 Release date: 2016-01-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Multiple mechanisms render Erk proteins MEK-independent To be Published
4S31	Crystal structure of mitogen-activated protein kinase 1 wtERK2 at 1.45A Descriptor: Mitogen-activated protein kinase 1 Authors: Livnah, O, Karamansha, Y. Deposit date: 2015-01-26 Release date: 2016-01-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Multiple mechanisms render Erk proteins MEK-independent To be Published
4S33	ERK2 R65S mutant complexed with AMP-PNP Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... Authors: Livnah, O, Karamansha, Y, Tzarum, N. Deposit date: 2015-01-26 Release date: 2016-01-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.48 Å) Cite: Multiple mechanisms render Erk proteins MEK-independent To be Published
4U0B	Hexamer HIV-1 CA in complex with CPSF6 peptide, P212121 crystal form Descriptor: Capsid protein p24, Cleavage and polyadenylation specificity factor subunit 6 Authors: Price, A.J, Jacques, D.A, James, L.C. Deposit date: 2014-07-11 Release date: 2014-11-12 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly. Plos Pathog., 10, 2014
4U0C	Hexameric HIV-1 CA in complex with Nup153 peptide, P6 crystal form Descriptor: Capsid protein p24, Nuclear pore complex protein Nup153 Authors: Price, A.J, Jacques, D.A, James, L.C. Deposit date: 2014-07-11 Release date: 2014-11-12 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly. Plos Pathog., 10, 2014
4U0A	Hexameric HIV-1 CA in complex with CPSF6 peptide, P6 crystal form Descriptor: CHLORIDE ION, Capsid protein p24, Cleavage and polyadenylation specificity factor subunit 6 Authors: Price, A.J, Jacques, D.A, James, L.C. Deposit date: 2014-07-11 Release date: 2014-11-12 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly. Plos Pathog., 10, 2014
4U0E	Hexameric HIV-1 CA in complex with PF3450074 Descriptor: CHLORIDE ION, Capsid protein p24, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE Authors: Price, A.J, Jacques, D.A, James, L.C. Deposit date: 2014-07-11 Release date: 2014-11-12 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.043 Å) Cite: Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly. Plos Pathog., 10, 2014
4U0F	Hexameric HIV-1 CA in Complex with BI-2 Descriptor: (4S)-4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one, 1,2-ETHANEDIOL, Capsid protein p24 Authors: Price, A.J, Jacques, D.A, James, L.C. Deposit date: 2014-07-11 Release date: 2014-11-12 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.22 Å) Cite: Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly. Plos Pathog., 10, 2014
4U81	MEK1 Kinase bound to small molecule inhibitor G659 Descriptor: 8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... Authors: Robarge, K.D, Ultsch, M.H, Weismann, C. Deposit date: 2014-07-31 Release date: 2014-09-24 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.701 Å) Cite: Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg.Med.Chem.Lett., 24, 2014
4U0D	Hexameric HIV-1 CA in complex with Nup153 peptide, P212121 crystal form Descriptor: CHLORIDE ION, Gag polyprotein, Nuclear pore complex protein Nup153 Authors: Price, A.J, Jacques, D.A, James, L.C. Deposit date: 2014-07-11 Release date: 2014-11-12 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (3 Å) Cite: Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly. Plos Pathog., 10, 2014
4U7Z	Mitogen-Activated Protein Kinase Kinase (MEK1) bound to G805 Descriptor: 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... Authors: Robarge, K.D, Ultsch, M.H, Wiesmann, C. Deposit date: 2014-07-31 Release date: 2014-09-24 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.805 Å) Cite: Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg.Med.Chem.Lett., 24, 2014
4U80	MEK 1 kinase bound to G799 Descriptor: 3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... Authors: Ultsch, M.H, Robarge, K.D, Weismann, C. Deposit date: 2014-07-31 Release date: 2014-09-24 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg.Med.Chem.Lett., 24, 2014
4UED	Complex of human eIF4E with the 4E binding protein 4E-BP1 Descriptor: EUKARYOTIC TRANSLATION FACTOR 4E-BINDING PROTEIN 1, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E Authors: Peter, D, Weichenrieder, O. Deposit date: 2014-12-16 Release date: 2015-02-25 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Molecular Architecture of 4E-BP Translational Inhibitors Bound to Eif4E. Mol.Cell, 57, 2015
3V01	Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions. Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... Authors: Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S. Deposit date: 2011-12-07 Release date: 2012-05-09 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.705 Å) Cite: Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions. J.Med.Chem., 55, 2012
3VVH	X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in complex with an inhibitor and MgATP Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... Authors: Kudo, N, Kato, R, Wakatsuki, S. Deposit date: 2012-07-24 Release date: 2013-08-28 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2 Å) Cite: X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in complex with an inhibitor and MgATP To be Published
3W55	The structure of ERK2 in complex with FR148083 Descriptor: (3S,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Mitogen-activated protein kinase 1 Authors: Ohori, M, Kinoshita, T. Deposit date: 2013-01-21 Release date: 2013-02-06 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (3 Å) Cite: Role of a cysteine residue in the active site of ERK and the MAPKK family Biochem.Biophys.Res.Commun., 353, 2007

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