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5LQ2
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BU of 5lq2 by Molmil
Crystal structure of Tyr24 phosphorylated Annexin A2 at 3.4 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 (3.4 Å)
Cite:Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding.
Structure, 25, 2017
7WU7
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BU of 7wu7 by Molmil
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
2F8X
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BU of 2f8x by Molmil
Crystal structure of activated Notch, CSL and MAML on HES-1 promoter DNA sequence
Descriptor: 5'-D(*GP*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*AP*AP*A)-3', 5'-D(*TP*TP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*TP*AP*AP*C)-3', Mastermind-like protein 1, ...
Authors:Nam, Y, Sliz, P, Blacklow, S.C.
Deposit date:2005-12-04
Release date:2006-04-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structural basis for cooperativity in recruitment of MAML coactivators to Notch transcription complexes.
Cell(Cambridge,Mass.), 124, 2006
8JHO
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BU of 8jho by Molmil
Cryo-EM structure of the histone deacetylase complex Rpd3S in complex with di-nucleosome
Descriptor: Chromatin modification-related protein EAF3, Di-nucleosome template foward, Di-nucleosome template reverse, ...
Authors:Wang, H.
Deposit date:2023-05-25
Release date:2023-09-27
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Structure of histone deacetylase complex Rpd3S bound to nucleosome.
Nat.Struct.Mol.Biol., 30, 2023
5WVI
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BU of 5wvi by Molmil
The resting state of yeast proteasome
Descriptor: 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ...
Authors:Ding, Z, Cong, Y.
Deposit date:2016-12-25
Release date:2017-03-22
Last modified:2019-10-23
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:High-resolution cryo-EM structure of the proteasome in complex with ADP-AlFx
Cell Res., 27, 2017
5LN3
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BU of 5ln3 by Molmil
The human 26S Proteasome at 6.8 Ang.
Descriptor: 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ...
Authors:Schweitzer, A, Beck, F, Sakata, E, Unverdorben, P.
Deposit date:2016-08-03
Release date:2017-03-22
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Molecular Details Underlying Dynamic Structures and Regulation of the Human 26S Proteasome.
Mol. Cell Proteomics, 16, 2017
4MH8
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BU of 4mh8 by Molmil
The crystal structure of the monomeric reverse transcriptase from moloney murine leukemia virus
Descriptor: Reverse transcriptase/ribonuclease H p80
Authors:Das, D, Georgiadis, M.M.
Deposit date:2013-08-29
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:The crystal structure of the monomeric reverse transcriptase from Moloney murine leukemia virus.
Structure, 12, 2004
1W82
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BU of 1w82 by Molmil
p38 Kinase crystal structure in complex with small molecule inhibitor
Descriptor: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE]-N'-(4-CHLOROPHENYL)UREA
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
6KW3
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BU of 6kw3 by Molmil
The ClassA RSC-Nucleosome Complex
Descriptor: Actin-like protein ARP9, Actin-related protein 7, Chromatin structure-remodeling complex protein RSC3, ...
Authors:Ye, Y.P, Wu, H, Chen, K.J, Verma, N, Cairns, B, Gao, N, Chen, Z.C.
Deposit date:2019-09-05
Release date:2019-11-13
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (7.13 Å)
Cite:Structure of the RSC complex bound to the nucleosome.
Science, 366, 2019
1W84
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BU of 1w84 by Molmil
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
6KW5
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BU of 6kw5 by Molmil
The ClassC RSC-Nucleosome Complex
Descriptor: Actin-like protein ARP9, Actin-related protein 7, Chromatin structure-remodeling complex protein RSC3, ...
Authors:Ye, Y.P, Wu, H, Chen, K.J, Verma, N, Cairns, B, Gao, N, Chen, Z.C.
Deposit date:2019-09-06
Release date:2020-09-09
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (10.13 Å)
Cite:Structure of the RSC complex bound to the nucleosome
To Be Published
3BV2
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BU of 3bv2 by Molmil
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
3BV3
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BU of 3bv3 by Molmil
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
2R29
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BU of 2r29 by Molmil
Neutralization of dengue virus by a serotype cross-reactive antibody elucidated by cryoelectron microscopy and x-ray crystallography
Descriptor: Envelope protein E, Heavy chain of Fab 1A1D-2, Light chain of Fab 1A1D-2
Authors:Lok, S.M, Kostyuchenko, V.K, Nybakken, G.E, Holdaway, H.A, Battisti, A.J, Sukupolvi-petty, S, Sedlak, D, Fremont, D.H, Chipman, P.R, Roehrig, J.T, Diamond, M.S, Kuhn, R.J, Rossmann, M.G.
Deposit date:2007-08-24
Release date:2007-12-25
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Binding of a neutralizing antibody to dengue virus alters the arrangement of surface glycoproteins.
Nat.Struct.Mol.Biol., 15, 2008
5LHG
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BU of 5lhg by Molmil
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
5LHI
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BU of 5lhi by Molmil
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
5LHH
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BU of 5lhh by Molmil
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
3KQ7
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BU of 3kq7 by Molmil
Structure of human p38alpha with N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxamide
Descriptor: ACETATE ION, Mitogen-activated protein kinase p38 alpha, N-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}amino)py ridine-3-carboxamide
Authors:Cheng, R.K.Y, Barker, J, Whittaker, M.
Deposit date:2009-11-17
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of human p38alpha with N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxamide
TO BE PUBLISHED
5WJJ
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BU of 5wjj by Molmil
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
5LUQ
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BU of 5luq by Molmil
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
8TOF
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BU of 8tof by Molmil
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
5WKN
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BU of 5wkn by Molmil
Crystal structure of the parainfluenza virus 5 nucleoprotein-phosphoprotein complex
Descriptor: Nucleoprotein, Phosphoprotein
Authors:Aggarwal, M, Leser, G.P, Kors, C.A, Lamb, R.A.
Deposit date:2017-07-25
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.653 Å)
Cite:Structure of the Paramyxovirus Parainfluenza Virus 5 Nucleoprotein in Complex with an Amino-Terminal Peptide of the Phosphoprotein.
J. Virol., 92, 2018
1M3Q
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BU of 1m3q by Molmil
Crystal Structure of hogg1 D268E Mutant with Base-Excised DNA and 8-aminoguanine
Descriptor: 5'-D(*GP*CP*GP*TP*CP*CP*AP*(DRZ)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 8-AMINOGUANINE, ...
Authors:Chung, S.J, Verdine, G.L.
Deposit date:2002-06-28
Release date:2004-02-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of End Products Resulting from Lesion Processing by a DNA Glycosylase/Lyase
Chem.Biol., 11, 2004
1M7Q
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BU of 1m7q by Molmil
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
4WZS
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BU of 4wzs by Molmil
Crystal structure of the Mot1 N-terminal domain in complex with TBP and NC2 bound to a promoter DNA fragment
Descriptor: DNA (5'-D(P*CP*CP*AP*CP*CP*CP*CP*CP*TP*TP*TP*TP*AP*TP*AP*GP*CP*CP*CP*T)-3'), DNA (5'-D(P*GP*GP*GP*CP*TP*AP*TP*AP*AP*AP*AP*GP*GP*GP*GP*GP*TP*GP*G)-3'), ECU04_1440 protein, ...
Authors:Butryn, A, Hopfner, K.-P.
Deposit date:2014-11-20
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.78 Å)
Cite:Structural basis for recognition and remodeling of the TBP:DNA:NC2 complex by Mot1.
Elife, 4, 2015

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