PDB: 957 resultsInfo pagesStatus searchChemie searchBIRD

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6AXY	Structure of the V11I/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 (2.78 Å) Cite: Identification of a novel element in HIV-1 capsid critical for assembly and maturation To be published
6BHT	HIV-1 CA hexamer in complex with IP6, orthorhombic crystal form Descriptor: Capsid protein p24, INOSITOL HEXAKISPHOSPHATE Authors: Zadrozny, K, Wagner, J.M, Ganser-Pornillos, B.K, Pornillos, O. Deposit date: 2017-10-31 Release date: 2018-08-01 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.689 Å) Cite: Inositol phosphates are assembly co-factors for HIV-1. Nature, 560, 2018
6BHS	HIV-1 CA hexamer in complex with IP6, hexagonal crystal form Descriptor: Capsid protein p24, INOSITOL HEXAKISPHOSPHATE Authors: Zadrozny, K, Wagner, J.M, Ganser-Pornillos, B.K, Pornillos, O. Deposit date: 2017-10-31 Release date: 2018-08-01 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.984 Å) Cite: Inositol phosphates are assembly co-factors for HIV-1. Nature, 560, 2018
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: 2023-10-04 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
6CPW	Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology Descriptor: (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION Authors: Hruza, A, Hruza, A. Deposit date: 2018-03-14 Release date: 2018-05-23 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology. Bioorg. Med. Chem. Lett., 28, 2018
4QNB	Disulfide stabilized HIV-1 CA hexamer in complex with PHENYL-L-PHENYLALANINAMIDE inhibitor Descriptor: CAPSID PROTEIN P24, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE Authors: Pornillos, O. Deposit date: 2014-06-17 Release date: 2014-12-31 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.996 Å) Cite: Structural basis of HIV-1 capsid recognition by PF74 and CPSF6. Proc.Natl.Acad.Sci.USA, 111, 2014
4QP7	Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine Descriptor: 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.249 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP6	Crystal Structure of ERK2 in complex with 5H-pyrrolo[2,3-b]pyrazine Descriptor: 5H-pyrrolo[2,3-b]pyrazine, IMIDAZOLE, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2015-12-16 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP8	Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine Descriptor: 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.446 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP2	Crystal Structure of ERKs in complex with 5-chlorobenzo[d]oxazol-2-amine Descriptor: 5-chloro-1,3-benzoxazol-2-amine, IMIDAZOLE, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2015-12-16 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QYY	Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State Descriptor: (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION Authors: Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A. Deposit date: 2014-07-26 Release date: 2014-11-12 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase. J.Med.Chem., 57, 2014
4QTE	Structure of ERK2 in complex with VTX-11e, 4-{2-[(2-CHLORO-4-FLUOROPHENYL)AMINO]-5-METHYLPYRIMIDIN-4-YL}-N-[(1S)-1-(3-CHLOROPHENYL)-2-HYDROXYETHYL]-1H-PYRROLE-2-CARBOXAMIDE Descriptor: 1,2-ETHANEDIOL, 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, ... Authors: Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2014-07-07 Release date: 2014-07-23 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.5 Å) Cite: A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics. Nat.Chem.Biol., 10, 2014
4QTA	Structure of human ERK2 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket Descriptor: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, ... Authors: Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2014-07-07 Release date: 2014-07-23 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.45 Å) Cite: A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics. Nat.Chem.Biol., 10, 2014
4S2Z	ERK2 Intrinsically active mutant R65S Descriptor: Mitogen-activated protein kinase 1 Authors: Livnah, O, Karamansha, Y. Deposit date: 2015-01-25 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
4QP3	Crystal Structure of ERK2 in complex with (S)-2-((9H-purin-6-yl)amino)-3-phenylpropan-1-ol Descriptor: (2S)-3-phenyl-2-(9H-purin-6-ylamino)propan-1-ol, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2015-12-16 Method: X-RAY DIFFRACTION (2.599 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QP4	Crystal Structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine Descriptor: Mitogen-activated protein kinase 1, N-cyclohexyl-9H-purin-6-amine Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4QPA	Crystal Structure of ERK2 in complex with 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine Descriptor: 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1 Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2015-12-16 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4S34	ERK2 (I84A) in complex 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 (2.5 Å) Cite: Multiple mechanisms render Erk proteins MEK-independent 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
4QP1	Crystal structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine Descriptor: IMIDAZOLE, Mitogen-activated protein kinase 1, N-BENZYL-9H-PURIN-6-AMINE Authors: Yin, J, Wang, W. Deposit date: 2014-06-22 Release date: 2015-09-23 Last modified: 2015-12-16 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors. Bioorg.Med.Chem.Lett., 25, 2015

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