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2RG5
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Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11B
Descriptor: Mitogen-activated protein kinase 14, N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
Authors:Sack, J.S.
Deposit date:2007-10-02
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors
J.Med.Chem., 51, 2008
5IGL
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BU of 5igl by Molmil
Crystal structure of the second bromodomain of human TAF1L in complex with bromosporine (BSP)
Descriptor: Bromosporine, Transcription initiation factor TFIID subunit 1-like
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Krojer, T, Tallant, C, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2016-02-28
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Sci Adv, 2, 2016
1TR4
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BU of 1tr4 by Molmil
Solution structure of human oncogenic protein gankyrin
Descriptor: 26S proteasome non-ATPase regulatory subunit 10
Authors:Yuan, C, Li, J, Mahajan, A, Poi, M.J, Byeon, I.J, Tsai, M.D.
Deposit date:2004-06-19
Release date:2004-11-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the human oncogenic protein gankyrin containing seven ankyrin repeats and analysis of its structure--function relationship.
Biochemistry, 43, 2004
6DKS
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BU of 6dks by Molmil
Structure of the Rbpj-SHARP-DNA Repressor Complex
Descriptor: DNA (5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*T)-3'), DNA (5'-D(*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3'), Maltose/maltodextrin-binding periplasmic protein, ...
Authors:Kovall, R.A, VanderWielen, B.D, Yuan, Z.
Deposit date:2018-05-30
Release date:2019-01-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structural and Functional Studies of the RBPJ-SHARP Complex Reveal a Conserved Corepressor Binding Site.
Cell Rep, 26, 2019
2OYQ
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BU of 2oyq by Molmil
Crystal structure of RB69 gp43 in complex with DNA with 5-NIMP opposite an abasic site analog
Descriptor: 1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-BETA-D-ERYTHRO-PENTOFURANOSYL}-5-NITRO -1H-INDOLE, DNA polymerase, MAGNESIUM ION, ...
Authors:Zahn, K.E, Belrhali, H, Wallace, S.S, Doublie, S.
Deposit date:2007-02-22
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Caught bending the a-rule: crystal structures of translesion DNA synthesis with a non-natural nucleotide.
Biochemistry, 46, 2007
5F28
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BU of 5f28 by Molmil
Crystal structure of FAT domain of Focal Adhesion Kinase (FAK) bound to the transcription factor MEF2C
Descriptor: Focal adhesion kinase 1, MEF2C
Authors:Cardoso, A.C, Ambrosio, A.L.B, Dessen, A, Franchini, K.G.
Deposit date:2015-12-01
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:FAK Forms a Complex with MEF2 to Couple Biomechanical Signaling to Transcription in Cardiomyocytes.
Structure, 24, 2016
8IFG
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BU of 8ifg by Molmil
Cryo-EM structure of the Clr6S (Clr6-HDAC) complex from S. pombe
Descriptor: Chromatin modification-related protein eaf3, Cph1, Cph2, ...
Authors:Zhang, H.Q, Wang, X, Wang, Y.N, Liu, S.M, Zhang, Y, Xu, K, Ji, L.T, Kornberg, R.D.
Deposit date:2023-02-17
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Class I histone deacetylase complex: Structure and functional correlates.
Proc Natl Acad Sci U S A, 120, 2023
5M5G
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BU of 5m5g by Molmil
Crystal structure of the Chaetomium Thermophilum polycomb repressive complex 2 (PRC2)
Descriptor: Fragment from molecular 2 (region containing putative polycomb protein Suz12), HISTONE H3 11-Mer peptide, Putative uncharacterized protein, ...
Authors:Zhang, Y, Justin, N, Wilson, J, Gamblin, S.
Deposit date:2016-10-21
Release date:2017-01-11
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Comment on "Structural basis of histone H3K27 trimethylation by an active polycomb repressive complex 2".
Science, 354, 2016
2LGC
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BU of 2lgc by Molmil
Joint NMR and X-ray refinement reveals the structure of a novel dibenzo[a,d]cycloheptenone inhibitor/p38 MAP kinase complex in solution
Descriptor: Mitogen-activated protein kinase 14
Authors:Habeck, M.
Deposit date:2011-07-25
Release date:2012-07-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Inferential NMR/X-ray-based structure determination of a dibenzo[a,d]cycloheptenone inhibitor-p38alpha MAP kinase complex in solution
Angew.Chem.Int.Ed.Engl., 51, 2012
5M70
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BU of 5m70 by Molmil
Crystal Structure of human RhoGAP mutated in its arginin finger (R85A) in complex with RhoA.GDP.AlF4- human
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ...
Authors:Pellegrini, E, Bowler, M.W.
Deposit date:2016-10-26
Release date:2017-05-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches.
Angew. Chem. Int. Ed. Engl., 56, 2017
1Z92
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BU of 1z92 by Molmil
structure of interleukin-2 with its alpha receptor
Descriptor: Interleukin-2, Interleukin-2 receptor alpha chain
Authors:Rickert, M, Wang, X.Q, Goriatcheva, N, Boulanger, M.J, Garcia, K.C.
Deposit date:2005-03-31
Release date:2005-06-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of interleukin-2 complexed with its alpha receptor.
Science, 308, 2005
5FLV
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BU of 5flv by Molmil
Crystal structure of NKX2-5 and TBX5 bound to the Nppa promoter region
Descriptor: 5'-D(*AP*CP*CP*AP*CP*TP*TP*CP*AP*AP*AP*GP*GP*TP *GP*TP*GP*AP*GP*AP*AP*G)-3', 5'-D(*TP*CP*TP*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP *TP*GP*AP*AP*GP*TP*GP*G)-3', HOMEOBOX PROTEIN NKX-2.5, ...
Authors:Stirnimann, C.U, Glatt, S, Mueller, C.W.
Deposit date:2015-10-28
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.005 Å)
Cite:Complex Interdependence Regulates Heterotypic Transcription Factor Distribution and Coordinates Cardiogenesis.
Cell(Cambridge,Mass.), 164, 2016
2P5G
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BU of 2p5g by Molmil
Crystal structure of RB69 gp43 in complex with DNA with dAMP opposite an abasic site analog in a 21mer template
Descriptor: DNA polymerase, Primer DNA, Template DNA
Authors:Zahn, K.E, Belrhali, H, Wallace, S.S, Doublie, S.
Deposit date:2007-03-15
Release date:2007-10-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Caught bending the a-rule: crystal structures of translesion DNA synthesis with a non-natural nucleotide.
Biochemistry, 46, 2007
5FYQ
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BU of 5fyq by Molmil
Sirt2 in complex with a 13-mer trifluoroacetylated Ran peptide
Descriptor: NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-2, RAN AA 31-43, SULFATE ION, ...
Authors:Knyphausen, P, de Boor, S, Scislowski, L, Extra, A, Baldus, L, Schacherl, M, Baumann, U, Neundorf, I, Lammers, M.
Deposit date:2016-03-09
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Insights Into Lysine-Deacetylation of Natively Folded Substrate Proteins by Sirtuins.
J.Biol.Chem., 291, 2016
5M6X
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BU of 5m6x by Molmil
Crystal Structure of human RhoGAP mutated in its arginine finger (R85A) in complex with RhoA.GDP.MgF3- human
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ...
Authors:Pellegrini, E, Bowler, M.W.
Deposit date:2016-10-26
Release date:2017-05-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches.
Angew. Chem. Int. Ed. Engl., 56, 2017
3SA0
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BU of 3sa0 by Molmil
Complex of ERK2 with norathyriol
Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, norathyriol
Authors:Kurinov, I, Malakhova, M.
Deposit date:2011-06-02
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5947 Å)
Cite:Norathyriol Suppresses Skin Cancers Induced by Solar Ultraviolet Radiation by Targeting ERK Kinases.
Cancer Res., 72, 2012
1OVE
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BU of 1ove by Molmil
The structure of p38 alpha in complex with a dihydroquinolinone
Descriptor: 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERIDIN-4-YL-3,4-DIHYDROQUINOLIN-2(1H)-ONE, GLYCEROL, Mitogen-activated protein kinase 14
Authors:Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G.
Deposit date:2003-03-26
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity
Nat.Struct.Biol., 10, 2003
1OUK
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BU of 1ouk by Molmil
The structure of p38 alpha in complex with a pyridinylimidazole inhibitor
Descriptor: 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-1H-IMIDAZOL-2-YL]-PIPERIDINE, Mitogen-activated protein kinase 14, SULFATE ION
Authors:Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G.
Deposit date:2003-03-24
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity
Nat.Struct.Biol., 10, 2003
1OUY
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BU of 1ouy by Molmil
The structure of p38 alpha in complex with a dihydropyrido-pyrimidine inhibitor
Descriptor: 1-(2,6-DICHLOROPHENYL)-6-[(2,4-DIFLUOROPHENYL)SULFANYL]-7-(1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-3,4-DIHYDROPYRIDO[3,2-D]PYRIMIDIN-2(1H)-ONE, Mitogen-activated protein kinase 14
Authors:Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G.
Deposit date:2003-03-25
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity
Nat.Struct.Biol., 10, 2003
1R3C
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BU of 1r3c by Molmil
THE STRUCTURE OF P38ALPHA C162S MUTANT
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase 14
Authors:Patel, S.B, Cameron, P.M, Frantz-Wattley, B, O'Neill, E, Becker, J.W, Scapin, G.
Deposit date:2003-10-01
Release date:2004-01-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lattice stabilization and enhanced diffraction in human p38 alpha crystals by protein engineering.
Biochim.Biophys.Acta, 1696, 2004
7M2G
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BU of 7m2g by Molmil
INTERLEUKIN-2 (human) mutant P65K, C125S
Descriptor: GLYCEROL, Interleukin-2, SULFATE ION
Authors:Ptacin, J.L, Milla, M.E, Steinbacher, S, Maskos, K, Thomsen, M.
Deposit date:2021-03-16
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:An engineered IL-2 reprogrammed for anti-tumor therapy using a semi-synthetic organism.
Nat Commun, 12, 2021
7M5M
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BU of 7m5m by Molmil
PCNA bound to peptide mimetic
Descriptor: N-BUTANE, Peptide mimetic (ACE)RQCSMTCFYHSK(NH2) with linker, Proliferating cell nuclear antigen
Authors:Vandborg, B.A, Bruning, J.B.
Deposit date:2021-03-24
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:A cell permeable bimane-constrained PCNA-interacting peptide.
Rsc Chem Biol, 2, 2021
7M5L
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BU of 7m5l by Molmil
PCNA bound to peptide mimetic with linker
Descriptor: PROPANE, Peptide mimetic (ACE)RQCSMTCFYHSK(NH2) with linker, Proliferating cell nuclear antigen
Authors:Vandborg, B.A, Bruning, J.B.
Deposit date:2021-03-24
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:A cell permeable bimane-constrained PCNA-interacting peptide.
Rsc Chem Biol, 2, 2021
7M5N
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BU of 7m5n by Molmil
PCNA bound to peptide mimetic with linker
Descriptor: 1,3-dimethylbenzene, Peptide mimetic (ACE)RQCSMTCFYHSK(NH2) with linker, Proliferating cell nuclear antigen
Authors:Vandborg, B.A, Bruning, J.B.
Deposit date:2021-03-24
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:A cell permeable bimane-constrained PCNA-interacting peptide.
Rsc Chem Biol, 2, 2021
7Q16
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BU of 7q16 by Molmil
Human 14-3-3 zeta fused to the BAD peptide including phosphoserine-74
Descriptor: 14-3-3 protein zeta/delta,Bcl2-associated agonist of cell death
Authors:Sluchanko, N.N, Tugaeva, K.V, Gushchin, I, Remeeva, A, Kovalev, K, Cooley, R.B.
Deposit date:2021-10-18
Release date:2021-11-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.356 Å)
Cite:Crystal structure of human 14-3-3 zeta complexed with the noncanonical phosphopeptide from proapoptotic BAD.
Biochem.Biophys.Res.Commun., 583, 2021

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