5LQ0
| Crystal structure of Tyr24 phosphorylated Annexin A2 at 2.9 A resolution | Descriptor: | Annexin A2, CALCIUM ION | Authors: | Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L. | Deposit date: | 2016-08-15 | Release date: | 2017-07-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding. Structure, 25, 2017
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3NUP
| CDK6 (monomeric) in complex with inhibitor | Descriptor: | 4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine, Cell division protein kinase 6 | Authors: | Chopra, R. | Deposit date: | 2010-07-07 | Release date: | 2010-12-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6. J.Med.Chem., 53, 2010
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5N7G
| MAGI-1 complexed with a synthetic pRSK1 peptide | Descriptor: | CALCIUM ION, GLYCEROL, Membrane-associated guanylate kinase, ... | Authors: | Gogl, G, Nyitray, L. | Deposit date: | 2017-02-20 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Dynamic control of RSK complexes by phosphoswitch-based regulation. FEBS J., 285, 2018
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8EVJ
| CX3CR1 nucleosome bound PU.1 and C/EBPa | Descriptor: | DNA (167-MER), Histone H2A type 2-C, Histone H2B type 2-E, ... | Authors: | Guan, R, Bai, Y, Lian, T. | Deposit date: | 2022-10-20 | Release date: | 2023-11-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural mechanism of synergistic targeting of the CX3CR1 nucleosome by PU.1 and C/EBP alpha. Nat.Struct.Mol.Biol., 31, 2024
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6MZM
| Human TFIID bound to promoter DNA and TFIIA | Descriptor: | SCP DNA (80-MER), TATA-box-binding protein, Transcription initiation factor IIA subunit 1, ... | Authors: | Patel, A.B, Louder, R.K, Greber, B.J, Grunberg, S, Luo, J, Fang, J, Liu, Y, Ranish, J, Hahn, S, Nogales, E. | Deposit date: | 2018-11-05 | Release date: | 2018-11-28 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (7.5 Å) | Cite: | Structure of human TFIID and mechanism of TBP loading onto promoter DNA. Science, 362, 2018
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6MZD
| Human TFIID Lobe A canonical | Descriptor: | TATA-box-binding protein, Transcription initiation factor TFIID subunit 1, Transcription initiation factor TFIID subunit 10, ... | Authors: | Patel, A.B, Louder, R.K, Greber, B.J, Grunberg, S, Luo, J, Fang, J, Liu, Y, Ranish, J, Hahn, S, Nogales, E. | Deposit date: | 2018-11-05 | Release date: | 2018-11-28 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (9.8 Å) | Cite: | Structure of human TFIID and mechanism of TBP loading onto promoter DNA. Science, 362, 2018
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6K1P
| The complex of ISWI-nucleosome in the ADP.BeF-bound state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (167-MER), ... | Authors: | Yan, L.J, Wu, H, Li, X.M, Gao, N, Chen, Z.C. | Deposit date: | 2019-05-10 | Release date: | 2019-05-29 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.87 Å) | Cite: | Structures of the ISWI-nucleosome complex reveal a conserved mechanism of chromatin remodeling. Nat.Struct.Mol.Biol., 26, 2019
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6JYL
| The crosslinked complex of ISWI-nucleosome in the ADP.BeF-bound state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (167-MER), ... | Authors: | Yan, L.J, Wu, H, Li, X.M, Gao, N, Chen, Z.C. | Deposit date: | 2019-04-26 | Release date: | 2019-05-29 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Structures of the ISWI-nucleosome complex reveal a conserved mechanism of chromatin remodeling. Nat.Struct.Mol.Biol., 26, 2019
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5WG6
| Human Polycomb Repressive Complex 2 in complex with GSK126 inhibitor | Descriptor: | 1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indole-4-carboxamide, Histone-lysine N-methyltransferase EZH2,Polycomb protein SUZ12 (E.C.2.1.1.43) chimera, Polycomb protein EED, ... | Authors: | Bratkowski, M.A, Liu, X. | Deposit date: | 2017-07-13 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.901 Å) | Cite: | An Evolutionarily Conserved Structural Platform for PRC2 Inhibition by a Class of Ezh2 Inhibitors. Sci Rep, 8, 2018
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9AZP
| INF2 at the Barbed End of F-Actin with Incoming Profilin-Actin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Palmer, N.J, Barrie, K.R, Dominguez, R. | Deposit date: | 2024-03-11 | Release date: | 2024-05-29 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.79 Å) | Cite: | Mechanisms of actin filament severing and elongation by formins. Nature, 632, 2024
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7K78
| antibody and nucleosome complex | Descriptor: | Cse4, DNA (136-MER), Histone H2A.1, ... | Authors: | Ruifang, G, Yawen, B. | Deposit date: | 2020-09-22 | Release date: | 2021-03-31 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural and dynamic mechanisms of CBF3-guided centromeric nucleosome formation. Nat Commun, 12, 2021
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8GHN
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7Y8R
| The nucleosome-bound human PBAF complex | Descriptor: | ACTB protein (Fragment), ADENOSINE-5'-DIPHOSPHATE, AT-rich interactive domain-containing protein 2, ... | Authors: | Wang, L, Yu, J, Yu, Z, Wang, Q, He, S, Xu, Y. | Deposit date: | 2022-06-24 | Release date: | 2022-12-07 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structure of nucleosome-bound human PBAF complex. Nat Commun, 13, 2022
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8EVI
| CX3CR1 nucleosome and PU.1 complex containing disulfide bond mutations | Descriptor: | DNA (167-MER), Histone H2A type 2-C, Histone H2B type 2-E, ... | Authors: | Lian, T, Guan, R, Bai, Y. | Deposit date: | 2022-10-20 | Release date: | 2023-11-01 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.64 Å) | Cite: | Structural mechanism of synergistic targeting of the CX3CR1 nucleosome by PU.1 and C/EBP alpha. Nat.Struct.Mol.Biol., 31, 2024
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9EMA
| RUVBL1/2 in complex with ATP and CB-6644 inhibitor | Descriptor: | 5-chloranyl-2-ethoxy-4-fluoranyl-~{N}-[4-[[3-(methoxymethyl)-1-oxidanylidene-6,7-dihydro-5~{H}-pyrazolo[1,2-a][1,2]benzodiazepin-2-yl]amino]-2,2-dimethyl-4-oxidanylidene-butyl]benzamide, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Lopez-Perrote, A, Llorca, O, Garcia-Martin, C. | Deposit date: | 2024-03-07 | Release date: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Mechanism of allosteric inhibition of RUVBL1-RUVBL2 by the small-molecule CB-6644 Cell Rep Phys Sci, 2024
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2VTJ
| Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design | Descriptor: | 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide, CELL DIVISION PROTEIN KINASE 2, GLYCEROL | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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2VTT
| Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | Descriptor: | 4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2 | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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7TD3
| Sphingosine-1-phosphate receptor 1-Gi complex bound to S1P | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | Deposit date: | 2021-12-30 | Release date: | 2022-02-09 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
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7TD4
| Sphingosine-1-phosphate receptor 1-Gi complex bound to Siponimod | Descriptor: | 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | Deposit date: | 2021-12-30 | Release date: | 2022-02-09 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
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2VTP
| Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | Descriptor: | CELL DIVISION PROTEIN KINASE 2, {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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2VTH
| Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design | Descriptor: | 5-hydroxynaphthalene-1-sulfonamide, CELL DIVISION PROTEIN KINASE 2, GLYCEROL | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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2W05
| Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5b | Descriptor: | CELL DIVISION PROTEIN KINASE 2, N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE | Authors: | Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Breed, J, Byth, K.F, Culshaw, J.D, Finlay, M.R, Fisher, E, Green, C.P, Heaton, D.W, Nash, I.A, Newcombe, N.J, Oakes, S.E, Pauptit, R.A, Roberts, A, Stanway, J.J, Thomas, A.P, Tucker, J.A, Weir, H.M. | Deposit date: | 2008-08-08 | Release date: | 2008-10-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Imidazoles: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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2VTM
| Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | Descriptor: | CELL DIVISION PROTEIN KINASE 2, PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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2VU3
| Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | Descriptor: | 4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2 | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-20 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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2VV9
| CDK2 in complex with an imidazole piperazine | Descriptor: | 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol, CELL DIVISION PROTEIN KINASE 2 | Authors: | Acton, D.G, Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Finlay, M.R, Fisher, E, Gerhardt, S, Graham, M.A, Green, C.P, Heaton, D.W, Loddick, S.A, Morgentin, R, Read, J, Roberts, A, Stanway, J, Tucker, J.A, Weir, H.M. | Deposit date: | 2008-06-04 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Imidazole Piperazines: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors with a Novel Binding Mode. Bioorg.Med.Chem.Lett., 18, 2008
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