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5LYV
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BU of 5lyv by Molmil
The crystal structure of 7SK 5'-hairpin - Osmium derivative
Descriptor: 7SK RNA, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Martinez-Zapien, D, Legrand, P, McEwen, A.G, Pasquali, S, Dock-Bregeon, A.-C.
Deposit date:2016-09-28
Release date:2017-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The crystal structure of the 5 functional domain of the transcription riboregulator 7SK.
Nucleic Acids Res., 45, 2017
5LYU
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BU of 5lyu by Molmil
The native crystal structure of 7SK 5'-hairpin
Descriptor: 7SK RNA, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Martinez-Zapien, D, Legrand, P, McEwen, A.C, Pasquali, S, Dock-Bregeon, A.-C.
Deposit date:2016-09-28
Release date:2017-01-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of the 5 functional domain of the transcription riboregulator 7SK.
Nucleic Acids Res., 45, 2017
5TBE
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BU of 5tbe by Molmil
Human p38alpha MAP Kinase in Complex with Dibenzosuberone Compound 2
Descriptor: Mitogen-activated protein kinase 14, ~{N}-[2,4-bis(fluoranyl)-5-[[9-(2-morpholin-4-ylethylcarbamoyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulen-3-yl]amino]phenyl]thiophene-2-carboxamide
Authors:Buehrmann, M, Rauh, D.
Deposit date:2016-09-12
Release date:2017-04-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Optimized Target Residence Time: Type I1/2 Inhibitors for p38 alpha MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine.
Angew. Chem. Int. Ed. Engl., 56, 2017
5TCO
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BU of 5tco by Molmil
Human p38 MAP Kinase in Complex with Dibenzosuberone Compound 1
Descriptor: 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulene-9-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Mayer-Wrangowski, S.C, Rauh, D.
Deposit date:2016-09-15
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Optimized Target Residence Time: Type I1/2 Inhibitors for p38 alpha MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine.
Angew. Chem. Int. Ed. Engl., 56, 2017
7PVU
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BU of 7pvu by Molmil
Crystal structure of p38alpha C162S in complex with CAS2094511-69-8, P 1 21 1
Descriptor: Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide
Authors:Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R.
Deposit date:2021-10-05
Release date:2023-05-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.154 Å)
Cite:Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway.
Nat Commun, 14, 2023
7PI4
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BU of 7pi4 by Molmil
FAK Protac GSK215 in complex with FAK and pVHL:ElonginC:ElonginB
Descriptor: (2S,4R)-4-hydroxy-1-((S)-2-(2-(4-(3-methoxy-4-((4-((2-(methylcarbamoyl)phenyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)phenyl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Chung, C.
Deposit date:2021-08-19
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Discovery and Characterisation of Highly Cooperative FAK-Degrading PROTACs.
Angew.Chem.Int.Ed.Engl., 60, 2021
4MK5
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BU of 4mk5 by Molmil
6-(3-methoxyphenyl)pyridine-2,3-diol bound to influenza 2009 pH1N1 endonuclease
Descriptor: 1,2-ETHANEDIOL, 3-hydroxy-6-(3-methoxyphenyl)pyridin-2(5H)-one, MANGANESE (II) ION, ...
Authors:Bauman, J.D, Patel, D, Das, K, Arnold, E.
Deposit date:2013-09-04
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
8OR4
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BU of 8or4 by Molmil
Partially dissociated CAND1-CUL1-RBX1-SKP1-SKP2-CKS1-CDK2
Descriptor: Cullin-1, Cullin-associated NEDD8-dissociated protein 1, Cyclin-dependent kinase 2, ...
Authors:Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I.
Deposit date:2023-04-13
Release date:2023-06-28
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange.
Mol.Cell, 83, 2023
4GMJ
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BU of 4gmj by Molmil
Structure of human NOT1 MIF4G domain co-crystallized with CAF1
Descriptor: CCR4-NOT transcription complex subunit 1, CCR4-NOT transcription complex subunit 7, CHLORIDE ION, ...
Authors:Petit, P, Weichenrieder, O, Wohlbold, L, Izaurralde, E.
Deposit date:2012-08-16
Release date:2012-10-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structural basis for the interaction between the CAF1 nuclease and the NOT1 scaffold of the human CCR4-NOT deadenylase complex
Nucleic Acids Res., 40, 2012
4E5B
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BU of 4e5b by Molmil
Structure of p38a MAP kinase without BOG
Descriptor: Mitogen-activated protein kinase 14
Authors:Livnah, O, Eisenberg-Domovich, Y, Tzarum, N.
Deposit date:2012-03-14
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lipid Molecules Induce p38 alpha Activation via a Novel Molecular Switch.
J.Mol.Biol., 424, 2012
4E5A
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BU of 4e5a by Molmil
The W197A mutant of p38a MAP kinase
Descriptor: Mitogen-activated protein kinase 14
Authors:Livnah, O, Tzarum, N, Eisenberg-Domovich, Y.
Deposit date:2012-03-14
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Lipid Molecules Induce p38 alpha Activation via a Novel Molecular Switch.
J.Mol.Biol., 424, 2012
3FEY
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BU of 3fey by Molmil
Crystal structure of the CBC-importin alpha complex.
Descriptor: Importin subunit alpha-2, Nuclear cap-binding protein subunit 1, Nuclear cap-binding protein subunit 2
Authors:Dias, S.M.G, Ambrosio, A.L.B, Cerione, R.A.
Deposit date:2008-12-01
Release date:2009-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The molecular basis for the regulation of the cap-binding complex by the importins.
Nat.Struct.Mol.Biol., 16, 2009
6NEM
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BU of 6nem by Molmil
3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one bound to influenza 2009 pH1N1 endonuclease
Descriptor: 3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Bauman, J.D, Arnold, E.
Deposit date:2018-12-17
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Aryl and Arylalkyl Substituted 3-Hydroxypyridin-2(1H)-ones: Synthesis and Evaluation as Inhibitors of Influenza A Endonuclease.
Chemmedchem, 14, 2019
6NEL
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BU of 6nel by Molmil
4-(2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzoic acid bound to influenza 2009 pH1N1 endonuclease
Descriptor: 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Bauman, J.D, Arnold, E.
Deposit date:2018-12-17
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Aryl and Arylalkyl Substituted 3-Hydroxypyridin-2(1H)-ones: Synthesis and Evaluation as Inhibitors of Influenza A Endonuclease.
Chemmedchem, 14, 2019
7F5S
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BU of 7f5s by Molmil
human delta-METTL18 60S ribosome
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Takahashi, M, Kashiwagi, K, Ito, T.
Deposit date:2021-06-22
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:METTL18-mediated histidine methylation of RPL3 modulates translation elongation for proteostasis maintenance.
Elife, 11, 2022
4X52
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BU of 4x52 by Molmil
Human PARP13 (ZC3HAV1), C-Terminal PARP Domain (H810N; N830Y variant)
Descriptor: GLYCEROL, SULFATE ION, Zinc finger CCCH-type antiviral protein 1
Authors:Karlberg, T, Thorsell, A.G, Klepsch, M, Schuler, H.
Deposit date:2014-12-04
Release date:2015-02-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural Basis for Lack of ADP-ribosyltransferase Activity in Poly(ADP-ribose) Polymerase-13/Zinc Finger Antiviral Protein.
J.Biol.Chem., 290, 2015
7TYR
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BU of 7tyr by Molmil
Cryo-EM structure of the basal state of the Artemis:DNA-PKcs complex (see COMPND 13/14)
Descriptor: DNA-dependent protein kinase catalytic subunit, Protein artemis
Authors:Watanabe, G, Lieber, M.R, Williams, D.R.
Deposit date:2022-02-14
Release date:2022-07-20
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Structural analysis of the basal state of the Artemis:DNA-PKcs complex.
Nucleic Acids Res., 50, 2022
4E6C
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BU of 4e6c by Molmil
p38a-perifosine Complex
Descriptor: (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate, Mitogen-activated protein kinase 14
Authors:Livnah, O, Tzarum, N, Eisenberg-Domovich, Y.
Deposit date:2012-03-15
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Lipid Molecules Induce p38 alpha Activation via a Novel Molecular Switch.
J.Mol.Biol., 424, 2012
4E8A
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BU of 4e8a by Molmil
The crystal structure of p38a MAP kinase in complex with PIA24
Descriptor: (1R,2S,3R,4S,6S)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2R)-2-methoxy-3-(octadecyloxy)propyl hydrogen (S)-phosphate, Mitogen-activated protein kinase 14
Authors:Livnah, O, Tzarum, N, Eisenberg-Domovich, Y.
Deposit date:2012-03-20
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Lipid Molecules Induce p38 alpha Activation via a Novel Molecular Switch.
J.Mol.Biol., 424, 2012
3E92
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BU of 3e92 by Molmil
Crystal Structure of P38 Kinase in Complex with A Biaryl Amide Inhibitor
Descriptor: GLYCEROL, Mitogen-activated protein kinase 14, N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide
Authors:Somers, D.O, Patel, S.
Deposit date:2008-08-21
Release date:2008-09-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kinase array design, back to front: Biaryl amides
Bioorg.Med.Chem.Lett., 18, 2008
3E93
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BU of 3e93 by Molmil
Crystal Structure of P38 Kinase in Complex with A Biaryl Amide Inhibitor
Descriptor: 4-methyl-N-(3-morpholin-4-ylphenyl)-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide, GLYCEROL, Mitogen-activated protein kinase 14
Authors:Somers, D.O, Patel, S.
Deposit date:2008-08-21
Release date:2008-09-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kinase array design, back to front: Biaryl amides
Bioorg.Med.Chem.Lett., 18, 2008
3FEX
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BU of 3fex by Molmil
Crystal structure of the CBC-importin alpha complex.
Descriptor: Importin subunit alpha-2, Nuclear cap-binding protein subunit 1, Nuclear cap-binding protein subunit 2
Authors:Dias, S.M.G, Ambrosio, A.L.B, Cerione, R.A.
Deposit date:2008-12-01
Release date:2009-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.549 Å)
Cite:The molecular basis for the regulation of the cap-binding complex by the importins.
Nat.Struct.Mol.Biol., 16, 2009
3NC0
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BU of 3nc0 by Molmil
Crystal structure of the HIV-1 Rev NES-CRM1-RanGTP nuclear export complex (crystal II)
Descriptor: DI(HYDROXYETHYL)ETHER, Exportin-1, GLYCEROL, ...
Authors:Guttler, T, Madl, T, Neumann, P, Deichsel, D, Corsini, L, Monecke, T, Ficner, R, Sattler, M, Gorlich, D.
Deposit date:2010-06-04
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:NES consensus redefined by structures of PKI-type and Rev-type nuclear export signals bound to CRM1.
Nat.Struct.Mol.Biol., 17, 2010
8PC5
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BU of 8pc5 by Molmil
H3K36me3 nucleosome-LEDGF/p75 PWWP domain complex
Descriptor: Histone H2A, Histone H2B 1.1, Histone H3, ...
Authors:Koutna, E, Kouba, T, Veverka, V.
Deposit date:2023-06-09
Release date:2023-08-16
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Multivalency of nucleosome recognition by LEDGF.
Nucleic Acids Res., 51, 2023
8PEO
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BU of 8peo by Molmil
H3K36me2 nucleosome-LEDGF/p75 PWWP domain complex
Descriptor: (2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid, Histone H2A, Histone H2B 1.1, ...
Authors:Koutna, E, Kouba, T, Veverka, V.
Deposit date:2023-06-14
Release date:2023-08-16
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Multivalency of nucleosome recognition by LEDGF.
Nucleic Acids Res., 51, 2023

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