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3GCS
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BU of 3gcs by Molmil
Human P38 MAP kinase in complex with Sorafenib
Descriptor: 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Rauh, D.
Deposit date:2009-02-22
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
3GCU
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BU of 3gcu by Molmil
Human P38 MAP kinase in complex with RL48
Descriptor: 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ...
Authors:Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
Deposit date:2009-02-22
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
3GCQ
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BU of 3gcq by Molmil
Human P38 MAP kinase in complex with RL45
Descriptor: 1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
Deposit date:2009-02-22
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
4RRV
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BU of 4rrv by Molmil
Crystal structure of PDK1 in complex with ATP and PIFtide
Descriptor: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Rettenmaier, T.J, Wells, J.A.
Deposit date:2014-11-06
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.412 Å)
Cite:A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1.
Proc.Natl.Acad.Sci.USA, 111, 2014
2XCB
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BU of 2xcb by Molmil
Crystal structure of PcrH in complex with the chaperone binding region of PopD
Descriptor: NITRATE ION, PEPD, REGULATORY PROTEIN PCRH
Authors:Job, V, Mattei, P.-J, Lemaire, D, Attree, I, Dessen, A.
Deposit date:2010-04-22
Release date:2010-05-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Basis of Chaperone Recognition of Type III Secretion System Minor Translocator Proteins.
J.Biol.Chem., 285, 2010
2XFM
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BU of 2xfm by Molmil
Complex structure of the MIWI Paz domain bound to methylated single stranded RNA
Descriptor: 5'-R(*AP*CP*CP*GP*AP*CP*UP*(OMU)P)-3', PIWI-LIKE PROTEIN 1
Authors:Simon, B, Kirkpatrick, J.P, Eckhardt, S, Sehr, P, Andrade-Navarro, M.A, Pillai, R.S, Carlomagno, T.
Deposit date:2010-05-27
Release date:2011-01-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Recognition of 2'-O-Methylated 3'-End of Pirna by the Paz Domain of a Piwi Protein.
Structure, 19, 2011
2Y0I
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BU of 2y0i by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH TANKYRASE-2 (TNKS2) FRAGMENT PEPTIDE (21-MER)
Descriptor: 2-OXOGLUTARIC ACID, FE (II) ION, GLYCEROL, ...
Authors:Chowdhury, R, McDonough, M.A, Schofield, C.J.
Deposit date:2010-12-02
Release date:2011-02-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Factor-inhibiting hypoxia-inducible factor (FIH) catalyses the post-translational hydroxylation of histidinyl residues within ankyrin repeat domains.
FEBS J., 278, 2011
4N6X
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BU of 4n6x by Molmil
Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First PDZ Domain of NHERF1
Descriptor: CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1/Chemokine Receptor CXCR2 fusion protein
Authors:Lu, G, Wu, Y, Jiang, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z.
Deposit date:2013-10-14
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.051 Å)
Cite:New Conformational State of NHERF1-CXCR2 Signaling Complex Captured by Crystal Lattice Trapping.
Plos One, 8, 2013
3H39
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BU of 3h39 by Molmil
The complex structure of CCA-adding enzyme with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, TRNA nucleotidyl transferase-related protein
Authors:Toh, Y, Tomita, K.
Deposit date:2009-04-16
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.854 Å)
Cite:Mechanism for the definition of elongation and termination by the class II CCA-adding enzyme
Embo J., 28, 2009
4NM6
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BU of 4nm6 by Molmil
Crystal structure of TET2-DNA complex
Descriptor: 5'-D(*AP*CP*CP*AP*CP*(5CM)P*GP*GP*TP*GP*GP*T)-3', FE (II) ION, Methylcytosine dioxygenase TET2, ...
Authors:Hu, L, Li, Z, Cheng, J, Rao, Q, Gong, W, Liu, M, Wang, P, Xu, Y.
Deposit date:2013-11-14
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.026 Å)
Cite:Crystal Structure of TET2-DNA Complex: Insight into TET-Mediated 5mC Oxidation.
Cell(Cambridge,Mass.), 155, 2013
4NUF
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BU of 4nuf by Molmil
Crystal Structure of SHP/EID1
Descriptor: EID1 peptide, Maltose ABC transporter periplasmic protein, Nuclear receptor subfamily 0 group B member 2 chimeric construct, ...
Authors:Zhi, X, Zhou, X.E, He, Y, Zechner, C, Suino-Powell, K.M, Kliewer, S.A, Melcher, K, Mangelsdorf, D.J, Xu, H.E.
Deposit date:2013-12-03
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into gene repression by the orphan nuclear receptor SHP.
Proc.Natl.Acad.Sci.USA, 111, 2014
3H3A
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BU of 3h3a by Molmil
The complex structure of CCA-adding enzyme with CTP
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, TRNA nucleotidyl transferase-related protein
Authors:Toh, Y, Tomita, K.
Deposit date:2009-04-16
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Mechanism for the definition of elongation and termination by the class II CCA-adding enzyme
Embo J., 28, 2009
3H8F
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BU of 3h8f by Molmil
High pH native structure of leucine aminopeptidase from Pseudomonas putida
Descriptor: BICARBONATE ION, Cytosol aminopeptidase, MANGANESE (II) ION, ...
Authors:Kale, A, Dijkstra, B.W, Sonke, T, Thunnissen, A.M.W.H.
Deposit date:2009-04-29
Release date:2010-04-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the leucine aminopeptidase from Pseudomonas putida reveals the molecular basis for its enantioselectivity and broad substrate specificity.
J.Mol.Biol., 398, 2010
3H52
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BU of 3h52 by Molmil
Crystal structure of the antagonist form of human glucocorticoid receptor
Descriptor: 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, GLYCEROL, Glucocorticoid receptor, ...
Authors:Schoch, G.A, Benz, J, D'Arcy, B, Stihle, M, Burger, D, Thoma, R, Ruf, A.
Deposit date:2009-04-21
Release date:2009-12-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular switch in the glucocorticoid receptor: active and passive antagonist conformations
J.Mol.Biol., 395, 2010
3H38
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BU of 3h38 by Molmil
The structure of CCA-adding enzyme apo form II
Descriptor: TRNA nucleotidyl transferase-related protein
Authors:Toh, Y, Tomita, K.
Deposit date:2009-04-16
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Mechanism for the definition of elongation and termination by the class II CCA-adding enzyme
Embo J., 28, 2009
3H37
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BU of 3h37 by Molmil
The structure of CCA-adding enzyme apo form I
Descriptor: TRNA nucleotidyl transferase-related protein
Authors:Toh, Y, Tomita, K.
Deposit date:2009-04-16
Release date:2009-10-13
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Mechanism for the definition of elongation and termination by the class II CCA-adding enzyme
Embo J., 28, 2009
7BLD
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BU of 7bld by Molmil
BAZ2A bromodomain in complex with compound UZH23
Descriptor: 1-[3-(6-Methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indol-1-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2021-01-18
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Chemical probes in the BAZ2A bromodomain
to be published
7BL9
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BU of 7bl9 by Molmil
BAZ2A bromodomain in complex with GSK2801 chemical probe
Descriptor: 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2021-01-18
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Chemical probes in the BAZ2A bromodomain
to be published
2CZY
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BU of 2czy by Molmil
Solution structure of the NRSF/REST-mSin3B PAH1 complex
Descriptor: Paired amphipathic helix protein Sin3b, transcription factor REST (version 3)
Authors:Nomura, M, Uda-Tochio, H, Murai, K, Mori, N, Nishimura, Y.
Deposit date:2005-07-20
Release date:2005-12-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The Neural Repressor NRSF/REST Binds the PAH1 Domain of the Sin3 Corepressor by Using its Distinct Short Hydrophobic Helix
J.Mol.Biol., 354, 2005
6HHW
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BU of 6hhw by Molmil
Structure of T. thermophilus AspRS in Complex with 5'-O-(N-(L-aspartyl)-sulfamoyl)uridine
Descriptor: 5'-O-(N-(L-aspartyl)-sulfamoyl)uridine, Aspartate--tRNA(Asp) ligase
Authors:De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2018-08-29
Release date:2019-12-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
7BLA
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BU of 7bla by Molmil
BAZ2A bromodomain in complex with TP-238 chemical probe
Descriptor: 6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-N-[3-(1H-pyrazol-1-yl)propyl]pyrimidin-4-amine, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2021-01-18
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.086 Å)
Cite:Chemical probes in the BAZ2A bromodomain
to be published
6QW4
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BU of 6qw4 by Molmil
Engineered streptavidin variant (ACGR) in complex with the Strep-tag II peptide
Descriptor: Strep-tag II peptide, Streptavidin
Authors:Skerra, A, Eichinger, A.
Deposit date:2019-03-05
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Role of Changing Loop Conformations in Streptavidin Versions Engineered for High-affinity Binding of the Strep-tag II Peptide.
J.Mol.Biol., 433, 2021
2LLI
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BU of 2lli by Molmil
Low resolution structure of RNA-binding subunit of the TRAMP complex
Descriptor: Protein AIR2, ZINC ION
Authors:Holub, P, Lalakova, J, Cerna, H, Sarazova, M, Pasulka, J, Hrazdilova, K, Arce, M.S, Stefl, R, Vanacova, S.
Deposit date:2011-11-10
Release date:2012-03-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Air2p is critical for the assembly and RNA-binding of the TRAMP complex and the KOW domain of Mtr4p is crucial for exosome activation.
Nucleic Acids Res., 40, 2012
4BU3
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BU of 4bu3 by Molmil
Crystal structure of human tankyrase 2 in complex with 2-phenyl-3,4- dihydroquinazolin-4-one
Descriptor: 2-phenyl-3H-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Narwal, M, Lehtio, L.
Deposit date:2013-06-20
Release date:2013-10-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
4CC9
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BU of 4cc9 by Molmil
Crystal structure of human SAMHD1 (amino acid residues 582-626) bound to Vpx isolated from sooty mangabey and human DCAF1 (amino acid residues 1058-1396)
Descriptor: DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, PROTEIN VPRBP, PROTEIN VPX, ...
Authors:Schwefel, D, Groom, H.C.T, Boucherit, V.C, Christodoulou, E, Walker, P.A, Stoye, J.P, Bishop, K.N, Taylor, I.A.
Deposit date:2013-10-19
Release date:2013-12-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.473 Å)
Cite:Structural Basis of Lentiviral Subversion of a Cellular Protein Degradation Pathway.
Nature, 505, 2014

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