1W84
 
 | | p38 Kinase crystal structure in complex with small molecule inhibitor | | Descriptor: | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE, MITOGEN-ACTIVATED PROTEIN KINASE 14 | | Authors: | Tickle, J, Jhoti, H, Cleasby, A, Devine, L. | | Deposit date: | 2004-09-16 | | Release date: | 2005-02-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation.
J. Med. Chem., 48, 2005
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5LHG
 | | Structure of the KDM1A/CoREST complex with the inhibitor 4-methyl-N-[4-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide | | Descriptor: | 4-methyl-N-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Cecatiello, V, Pasqualato, S. | | Deposit date: | 2016-07-11 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.34 Å) | | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
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3BV2
 | | Morpholino pyrrolotriazine P38 Alpha map kinase inhibitor compound 30 | | Descriptor: | 5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Sack, J.S. | | Deposit date: | 2008-01-04 | | Release date: | 2008-04-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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3BV3
 | | Morpholino pyrrolotriazine P38 Alpha Map Kinase inhibitor compound 2 | | Descriptor: | 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Sack, J.S. | | Deposit date: | 2008-01-04 | | Release date: | 2008-04-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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5LHI
 | | Structure of the KDM1A/CoREST complex with the inhibitor N-[3-(ethoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | | Authors: | Cecatiello, V, Pasqualato, S. | | Deposit date: | 2016-07-12 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
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5LHH
 | | Structure of the KDM1A/CoREST complex with the inhibitor 4-ethyl-N-[3-(methoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide | | Descriptor: | 4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Cecatiello, V, Pasqualato, S. | | Deposit date: | 2016-07-11 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
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8TOF
 | | Rpd3S bound to an H3K36Cme3 modified nucleosome | | Descriptor: | Chromatin modification-related protein EAF3, DNA (176-MER), Histone H2A, ... | | Authors: | Markert, J.W, Vos, S.M, Farnung, L. | | Deposit date: | 2023-08-03 | | Release date: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structure of the complete Saccharomyces cerevisiae Rpd3S-nucleosome complex.
Nat Commun, 14, 2023
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5WJJ
 | | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors | | Descriptor: | Mitogen-activated protein kinase 14, N-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide | | Authors: | Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C. | | Deposit date: | 2017-07-23 | | Release date: | 2018-01-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.
Bioorg. Med. Chem., 26, 2018
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4WZS
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3KQ7
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4UUV
 | | Structure of the DNA binding ETS domain of human ETV4 in complex with DNA | | Descriptor: | 5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP)-3', 5'-D(*AP*CP*TP*TP*CP*CP*GP*GP*TP*CP)-3', ETS TRANSLOCATION VARIANT 4 | | Authors: | Newman, J.A, Cooper, C.D.O, Kopec, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | | Deposit date: | 2014-07-31 | | Release date: | 2014-08-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation.
J.Biol.Chem., 290, 2015
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7WU7
 | | Prefoldin-tubulin-TRiC complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Prefoldin subunit 1, Prefoldin subunit 2, ... | | Authors: | Gestaut, D, Zhao, Y, Park, J, Ma, B, Leitner, A, Collier, M, Pintilie, G, Roh, S.-H, Chiu, W, Frydman, J. | | Deposit date: | 2022-02-07 | | Release date: | 2022-12-21 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.85 Å) | | Cite: | Structural visualization of the tubulin folding pathway directed by human chaperonin TRiC/CCT.
Cell, 185, 2022
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6UXW
 | | SWI/SNF nucleosome complex with ADP-BeFx | | Descriptor: | 601 sequence bottom strand, 601 sequence top strand, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | He, Y, Han, Y. | | Deposit date: | 2019-11-08 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (8.96 Å) | | Cite: | Cryo-EM structure of SWI/SNF complex bound to a nucleosome.
Nature, 579, 2020
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8JAL
 | | Structure of CRL2APPBP2 bound with RxxGP degron (dimer) | | Descriptor: | Amyloid protein-binding protein 2, Cullin-2, Elongin-B, ... | | Authors: | Zhao, S, Zhang, K, Xu, C. | | Deposit date: | 2023-05-06 | | Release date: | 2023-10-18 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular basis for C-degron recognition by CRL2 APPBP2 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8JAQ
 | | Structure of CRL2APPBP2 bound with RxxGP degron (tetramer) | | Descriptor: | Amyloid protein-binding protein 2, Cullin-2, E3 ubiquitin-protein ligase RBX1, ... | | Authors: | Zhao, S, Zhang, K, Xu, C. | | Deposit date: | 2023-05-06 | | Release date: | 2023-10-18 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Molecular basis for C-degron recognition by CRL2 APPBP2 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8JAS
 | | Structure of CRL2APPBP2 bound with RxxGPAA degron (tetramer) | | Descriptor: | Amyloid protein-binding protein 2, Cullin-2, E3 ubiquitin-protein ligase RBX1, ... | | Authors: | Zhao, S, Zhang, K, Xu, C. | | Deposit date: | 2023-05-07 | | Release date: | 2023-10-18 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Molecular basis for C-degron recognition by CRL2 APPBP2 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8JAV
 | | Structure of CRL2APPBP2 bound with the C-degron of MRPL28 (tetramer) | | Descriptor: | Amyloid protein-binding protein 2, Cullin-2, E3 ubiquitin-protein ligase RBX1, ... | | Authors: | Zhao, S, Zhang, K, Xu, C. | | Deposit date: | 2023-05-07 | | Release date: | 2023-10-18 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Molecular basis for C-degron recognition by CRL2 APPBP2 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 120, 2023
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1M7Q
 | | Crystal structure of p38 MAP kinase in complex with a dihydroquinazolinone inhibitor | | Descriptor: | 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERAZIN-1-YL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE, Mitogen-activated protein kinase 14, SULFATE ION | | Authors: | Stelmach, J.E, Liu, L, Patel, S.B, Pivnichny, J.V, Scapin, G, Singh, S, Hop, C.E.C.A, Wang, Z, Cameron, P.M, Nichols, E.A, O'Keefe, S.J, O'Neill, E.A, Schmatz, D.M, Schwartz, C.D, Thompson, C.M, Zaller, D.M, Doherty, J.B. | | Deposit date: | 2002-07-22 | | Release date: | 2002-12-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and synthesis of potent, orally bioavailable dihydroquinazolinone inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 13, 2003
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5LUQ
 | | Crystal Structure of Human DNA-dependent Protein Kinase Catalytic Subunit (DNA-PKcs) | | Descriptor: | C-terminal fragment of KU80 (KU80ct194), DNA-dependent protein kinase catalytic subunit,DNA-dependent Protein Kinase Catalytic Subunit,DNA-dependent protein kinase catalytic subunit | | Authors: | Sibanda, B.L, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L. | | Deposit date: | 2016-09-09 | | Release date: | 2017-02-15 | | Last modified: | 2018-03-28 | | Method: | X-RAY DIFFRACTION (4.3 Å) | | Cite: | DNA-PKcs structure suggests an allosteric mechanism modulating DNA double-strand break repair.
Science, 355, 2017
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7A08
 | | CryoEM Structure of cGAS Nucleosome complex | | Descriptor: | Cyclic GMP-AMP synthase, Histone H2A type 1-C, Histone H2B type 1-C/E/F/G/I, ... | | Authors: | Michalski, S, de Oliveira Mann, C.C, Witte, G, Bartho, J, Lammens, K, Hopfner, K.P. | | Deposit date: | 2020-08-07 | | Release date: | 2020-09-23 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Structural basis for sequestration and autoinhibition of cGAS by chromatin.
Nature, 587, 2020
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1M3Q
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9EMC
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9FWG
 | | LSD1/CoREST bound to bomedemstat | | Descriptor: | Bomedemstat FAD adduct, Lysine-specific histone demethylase 1A, REST corepressor 1 | | Authors: | Speranzini, V, Mattevi, A. | | Deposit date: | 2024-06-30 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Characterization of structural, biochemical, pharmacokinetic, and pharmacodynamic properties of the LSD1 inhibitor bomedemstat in preclinical models.
Prostate, 84, 2024
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8JAR
 | | Structure of CRL2APPBP2 bound with RxxGPAA degron (dimer) | | Descriptor: | Amyloid protein-binding protein 2, Cullin-2, Elongin-B, ... | | Authors: | Zhao, S, Zhang, K, Xu, C. | | Deposit date: | 2023-05-07 | | Release date: | 2023-10-18 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular basis for C-degron recognition by CRL2 APPBP2 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8JAU
 | | Structure of CRL2APPBP2 bound with the C-degron of MRPL28 (dimer) | | Descriptor: | Amyloid protein-binding protein 2, Cullin-2, Elongin-B, ... | | Authors: | Zhao, S, Zhang, K, Xu, C. | | Deposit date: | 2023-05-07 | | Release date: | 2023-10-18 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Molecular basis for C-degron recognition by CRL2 APPBP2 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 120, 2023
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