PDB: 496 resultsInfo pagesStatus searchChemie searchBIRD

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4FV3	Crystal Structure of the ERK2 complexed with EK6 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-06-29 Release date: 2012-08-29 Last modified: 2014-09-24 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal Structure of the ERK2 complexed with EK6 TO BE PUBLISHED
4FV6	Crystal Structure of the ERK2 complexed with E57 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2S)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-06-29 Release date: 2012-08-29 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal Structure of the ERK2 complexed with E57 TO BE PUBLISHED
4FUX	Crystal Structure of the ERK2 complexed with E75 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-06-28 Release date: 2012-08-22 Last modified: 2014-09-24 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal Structure of the ERK2 complexed with E75 TO BE PUBLISHED
4FV7	Crystal Structure of the ERK2 complexed with E94 Descriptor: 1,2-ETHANEDIOL, 4-(3-chlorophenyl)-5-{2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}-2-{[2-(piperidin-1-yl)ethyl]amino}thiophene-3-carbonitrile, GLYCEROL, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-06-29 Release date: 2012-08-29 Last modified: 2014-09-24 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal Structure of the ERK2 complexed with E94 TO BE PUBLISHED
4G6O	Crystal Structure of the ERK2 Descriptor: 1,2-ETHANEDIOL, 4-{4-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-07-19 Release date: 2012-09-19 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal Structure of the ERK2 complexed with E28 to be published
4FUY	Crystal Structure of the ERK2 complexed with EK2 Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-06-28 Release date: 2012-08-22 Last modified: 2014-09-24 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structure of the ERK2 complexed with EK2 TO BE PUBLISHED
4FV9	Crystal Structure of the ERK2 complexed with E71 Descriptor: 1,2-ETHANEDIOL, 3-[4-(2,3-difluorophenyl)-1,2-oxazol-5-yl]-5-(pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine, Mitogen-activated protein kinase 1, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-06-29 Release date: 2012-08-29 Last modified: 2014-09-24 Method: X-RAY DIFFRACTION (2.11 Å) Cite: Crystal Structure of the ERK2 complexed with E71 TO BE PUBLISHED
4G6N	Crystal Structure of the ERK2 Descriptor: 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-07-19 Release date: 2012-09-19 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structure of the ERK2 complexed with EK0 to be published
4FV1	Crystal Structure of the ERK2 complexed with EK4 Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 1, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-06-28 Release date: 2012-08-22 Last modified: 2014-09-24 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Crystal Structure of the ERK2 complexed with EK4 TO BE PUBLISHED
4FV4	Crystal Structure of the ERK2 complexed with EK7 Descriptor: 9-(dimethylamino)-2-[(3-hydroxyphenyl)amino]-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile, GLYCEROL, Mitogen-activated protein kinase 1, ... Authors: Kang, Y.N, Stuckey, J.A, Xie, X. Deposit date: 2012-06-29 Release date: 2012-08-29 Last modified: 2014-09-24 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal Structure of the ERK2 complexed with EK7 TO BE PUBLISHED
4GSB	Monoclinic crystal form of the apo-ERK2 Descriptor: GLYCEROL, Mitogen-activated protein kinase 1, SULFATE ION, ... Authors: Pozharski, E, Zhang, J, Shapiro, P. Deposit date: 2012-08-27 Release date: 2012-09-12 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Monoclinic crystal form of the apo-ERK2 TO BE PUBLISHED
8QUX	Hexameric HIV-1 CA in complex with DDD00100333 Descriptor: 1,2-ETHANEDIOL, 4-benzyl-3,4-dihydroquinoxalin-2(1H)-one, Spacer peptide 1 Authors: Petit, A.P, Fyfe, P.K. Deposit date: 2023-10-17 Release date: 2024-03-27 Last modified: 2024-04-17 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
8QV1	Hexameric HIV-1 CA in complex with DDD01728505 Descriptor: Spacer peptide 1, methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate Authors: Petit, A.P, Fyfe, P.K. Deposit date: 2023-10-17 Release date: 2024-03-27 Last modified: 2024-04-17 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments. Chemmedchem, 2024
4H3P	Crystal structure of human ERK2 complexed with a MAPK docking peptide Descriptor: Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1 Authors: Gogl, G, Toeroe, I, Remenyi, A. Deposit date: 2012-09-14 Release date: 2013-02-27 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Protein-peptide complex crystallization: a case study on the ERK2 mitogen-activated protein kinase Acta Crystallogr.,Sect.D, 69, 2013
8TQP	HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor Descriptor: 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-{(1R)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}acetamide, Gag polyprotein Authors: Goldstone, D.C, Barnett, M.J, Taka, J.R.H. Deposit date: 2023-08-08 Release date: 2023-12-20 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators. J.Med.Chem., 66, 2023
8TOV	HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor Descriptor: 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-[(1R)-2-(3,5-difluorophenyl)-1-{3-[4-(morpholine-4-sulfonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl]acetamide, Matrix protein p17 Authors: Goldstone, D.C, Barnett, M.J, Taka, J.R.H. Deposit date: 2023-08-04 Release date: 2023-12-20 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators. J.Med.Chem., 66, 2023
4GT3	ATP-bound form of the ERK2 kinase Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... Authors: Pozharski, E, Zhang, J, Shapiro, P. Deposit date: 2012-08-28 Release date: 2012-09-12 Method: X-RAY DIFFRACTION (1.68 Å) Cite: ATP-bound form of the ERK2 kinase TO BE PUBLISHED
4H3Q	Crystal structure of human ERK2 complexed with a MAPK docking peptide Descriptor: Dual specificity mitogen-activated protein kinase kinase 2, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER Authors: Gogl, G, Toeroe, I, Remenyi, A. Deposit date: 2012-09-14 Release date: 2013-02-27 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Protein-peptide complex crystallization: a case study on the ERK2 mitogen-activated protein kinase Acta Crystallogr.,Sect.D, 69, 2013
4I5H	Crystal Structure of a Double Mutant Rat Erk2 Complexed With a Type II Quinazoline Inhibitor Descriptor: Mitogen-activated protein kinase 1, N-{3-[2-(cyclopropylamino)quinazolin-6-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide Authors: Hari, S.B, Maly, D.J, Merritt, E.A. Deposit date: 2012-11-28 Release date: 2013-07-10 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Sequence determinants of a specific inactive protein kinase conformation. Chem.Biol., 20, 2013
8U8J	Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #16 Descriptor: (4M)-4-{(4R)-3-[(2S)-2-methylbutyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1 Authors: Anderson, J.W, Vigers, G.P. Deposit date: 2023-09-18 Release date: 2024-03-27 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2. Elife, 12, 2024
8U8K	Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #8 Descriptor: (4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1 Authors: Anderson, J.W, Vigers, G.P. Deposit date: 2023-09-18 Release date: 2024-03-27 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2. Elife, 12, 2024
8TY6	Disulfide-stabilized HIV-1 CA hexamer in complex with PQBP1 Nt Descriptor: Capsid protein p24 Authors: Piacentini, J, Pornillos, O, Ganser-Pornillos, B.K. Deposit date: 2023-08-24 Release date: 2024-03-06 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Molecular Determinants of PQBP1 Binding to the HIV-1 Capsid Lattice. J.Mol.Biol., 436, 2024
4GVA	ADP-bound form of the ERK2 kinase Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Mitogen-activated protein kinase 1 Authors: Pozharski, E, Zhang, J, Shapiro, P. Deposit date: 2012-08-30 Release date: 2012-09-12 Method: X-RAY DIFFRACTION (1.83 Å) Cite: ADP-bound form of the ERK2 kinase TO BE PUBLISHED
7ZUD	Crystal structure of HIV-1 capsid IP6-CPSF6 complex Descriptor: Capsid protein p24, Cleavage and polyadenylation specificity factor subunit 6, INOSITOL HEXAKISPHOSPHATE Authors: Nicastro, G, Taylor, I.A. Deposit date: 2022-05-12 Release date: 2022-07-27 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.93 Å) Cite: CP-MAS and Solution NMR Studies of Allosteric Communication in CA-assemblies of HIV-1. J.Mol.Biol., 434, 2022
7ZR0	CryoEM structure of HSP90-CDC37-BRAF(V600E) complex. Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, Hsp90 co-chaperone Cdc37, ... Authors: Oberoi, J, Pearl, L.H. Deposit date: 2022-05-03 Release date: 2022-12-14 Last modified: 2023-01-11 Method: ELECTRON MICROSCOPY (3.4 Å) Cite: HSP90-CDC37-PP5 forms a structural platform for kinase dephosphorylation. Nat Commun, 13, 2022

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