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4YZS
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BU of 4yzs by Molmil
Crystal structures reveal transient PERK luminal domain tetramerization in ER stress signaling
Descriptor: Eukaryotic translation initiation factor 2-alpha kinase 3, TUNGSTEN ION
Authors:Carrara, M, Prischi, F, Ali, M.M.U.
Deposit date:2015-03-25
Release date:2015-05-13
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Crystal structures reveal transient PERK luminal domain tetramerization in endoplasmic reticulum stress signaling.
Embo J., 34, 2015
5L7N
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BU of 5l7n by Molmil
Plexin A1 extracellular fragment, domains 7-10 (IPT3-IPT6)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Kong, Y, Janssen, B.J.C, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
Deposit date:2016-06-03
Release date:2017-03-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
4YZC
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BU of 4yzc by Molmil
Crystal structure of pIRE1alpha in complex with staurosporine
Descriptor: STAUROSPORINE, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Concha, N.O.
Deposit date:2015-03-24
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity.
Mol.Pharmacol., 88, 2015
4YZ9
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BU of 4yz9 by Molmil
Crystal Structure of human phosphorylated IRE1alpha in complex with a type III kinase inhibitor (GSK2850163A)
Descriptor: (5R)-2-(3,4-dichlorobenzyl)-N-(4-methylbenzyl)-2,7-diazaspiro[4.5]decane-7-carboxamide, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Concha, N.O.
Deposit date:2015-03-24
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.463 Å)
Cite:Long-Range Inhibitor-Induced Conformational Regulation of Human IRE1 alpha Endoribonuclease Activity.
Mol.Pharmacol., 88, 2015
5L9Y
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BU of 5l9y by Molmil
Crystal structure of human heparanase, in complex with glucuronic acid configured aziridine probe JJB355
Descriptor: (1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, L, Jin, Y, Davies, G.J.
Deposit date:2016-06-13
Release date:2017-05-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
5L95
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BU of 5l95 by Molmil
Crystal structure of human UBA5 in complex with UFM1 and AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Ubiquitin-fold modifier 1, Ubiquitin-like modifier-activating enzyme 5, ...
Authors:Oweis, W, Padala, P, Wiener, R.
Deposit date:2016-06-09
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Trans-Binding Mechanism of Ubiquitin-like Protein Activation Revealed by a UBA5-UFM1 Complex.
Cell Rep, 16, 2016
1V5W
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BU of 1v5w by Molmil
Crystal structure of the human Dmc1 protein
Descriptor: Meiotic recombination protein DMC1/LIM15 homolog
Authors:Kinebuchi, T, Kagawa, W, Enomoto, R, Ikawa, S, Shibata, T, Kurumizaka, H, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-11-26
Release date:2004-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for octameric ring formation and DNA interaction of the human homologous-pairing protein dmc1
Mol.Cell, 14, 2004
4Z1Q
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BU of 4z1q by Molmil
Crystal structure of the first bromodomain of human BRD4 bound to benzotriazolo-diazepine scaffold
Descriptor: 5-[(4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine, Bromodomain-containing protein 4
Authors:Setser, J.W, Poy, F, Tang, Y, Bellon, S.F.
Deposit date:2015-03-27
Release date:2015-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Discovery of Benzotriazolo[4,3-d][1,4]diazepines as Orally Active Inhibitors of BET Bromodomains.
Acs Med.Chem.Lett., 7, 2016
5LBA
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BU of 5lba by Molmil
Crystal structure of human RECQL5 helicase in complex with DSPL fragment(1-cyclohexyl-3-(oxolan-2-ylmethyl)urea, SGC - Diamond XChem I04-1 fragment screening.
Descriptor: 1-cyclohexyl-3-[[(2~{R})-oxolan-2-yl]methyl]urea, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, ...
Authors:Newman, J.A, Aitkenhead, H, Talon, R, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2016-06-15
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of human RECQL5 helicase in complex with 3D fragment (1-cyclohexyl-3-(oxolan-2-ylmethyl)urea)
To be published
1ABQ
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BU of 1abq by Molmil
CRYSTAL STRUCTURE OF THE UNLIGANDED ABL TYROSINE KINASE SH3 DOMAIN
Descriptor: ABL TYROSINE KINASE SRC-HOMOLOGY 3 (SH3) DOMAIN
Authors:Musacchio, A, Wilmanns, M, Saraste, M.
Deposit date:1995-05-19
Release date:1995-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:High-resolution crystal structures of tyrosine kinase SH3 domains complexed with proline-rich peptides.
Nat.Struct.Biol., 1, 1994
3LHR
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BU of 3lhr by Molmil
Crystal structure of the SCAN domain from Human ZNF24
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ETHYL MERCURY ION, ...
Authors:Volkman, B.F, Peterson, F.C, Bingman, C.A, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2010-01-22
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the SCAN domain from Human ZNF24
To be Published
3LLR
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BU of 3llr by Molmil
Crystal structure of the PWWP domain of Human DNA (cytosine-5-)-methyltransferase 3 alpha
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (cytosine-5)-methyltransferase 3A, SULFATE ION
Authors:Qiu, W, Dombrovski, L, Ni, S, Weigelt, J, Boutra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2010-01-29
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and histone binding ability characterizations of human PWWP domains.
Plos One, 6, 2011
5KSP
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BU of 5ksp by Molmil
hMiro1 C-domain GDP Complex C2221 Crystal Form
Descriptor: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Mitochondrial Rho GTPase 1
Authors:Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M.
Deposit date:2016-07-08
Release date:2016-09-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.162 Å)
Cite:Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016
3LMP
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BU of 3lmp by Molmil
Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator
Descriptor: (9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide, Peptide of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2010-01-31
Release date:2010-04-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a novel selective PPARgamma modulator from (-)-Cercosporamide derivatives
Bioorg.Med.Chem.Lett., 20, 2010
5U2C
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BU of 5u2c by Molmil
BRD4 second bromodomain (BD2) in complex with dual PI3 kinase (PI3K) inhibitor SF2558HA
Descriptor: Bromodomain-containing protein 4, N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide
Authors:Andrews, F.H, Kutateladze, T.G.
Deposit date:2016-11-30
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1D01
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BU of 1d01 by Molmil
STRUCTURE OF TNF RECEPTOR ASSOCIATED FACTOR 2 IN COMPLEX WITH A HUMAN CD30 PEPTIDE
Descriptor: CD30 PEPTIDE, TUMOR NECROSIS FACTOR RECEPTOR ASSOCIATED FACTOR 2
Authors:Ye, H, Park, Y.C, Kreishman, M, Kieff, E, Wu, H.
Deposit date:1999-09-07
Release date:2003-12-02
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structural basis for the recognition of diverse receptor sequences by TRAF2.
Mol.Cell, 4, 1999
1UR6
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BU of 1ur6 by Molmil
NMR based structural model of the UbcH5B-CNOT4 complex
Descriptor: POTENTIAL TRANSCRIPTIONAL REPRESSOR NOT4HP, UBIQUITIN-CONJUGATING ENZYME E2-17 KDA 2, ZINC ION
Authors:Dominguez, C, Bonvin, A.M.J.J, Winkler, G.S, Van Schaik, F.M.A, Timmers, H.Th.M, Boelens, R.
Deposit date:2003-10-27
Release date:2004-05-07
Last modified:2024-05-15
Method:SOLUTION NMR, THEORETICAL MODEL
Cite:Structural Model of the Ubch5B/Cnot4 Complex Revealed by Combining NMR, Mutagenesis, and Docking Approaches.
Structure, 12, 2004
3LNE
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BU of 3lne by Molmil
Crystal structure of E-cadherin EC12 K14E
Descriptor: CALCIUM ION, Cadherin-1, GLYCEROL
Authors:Jin, X, Harrison, O, Shapiro, L.
Deposit date:2010-02-02
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Two-step adhesive binding by classical cadherins.
Nat.Struct.Mol.Biol., 17, 2010
1V06
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BU of 1v06 by Molmil
AXH domain of the transcription factor HBP1 from M.musculus
Descriptor: HMG BOX-CONTAINING PROTEIN 1
Authors:De Chiara, C, Kelly, G, Pastore, A.
Deposit date:2004-03-24
Release date:2005-04-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The Axh Domain Adopts Alternative Folds the Solution Structure of Hbp1 Axh.
Structure, 13, 2005
4ZN7
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BU of 4zn7 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Diethylstilbestrol
Descriptor: DIETHYLSTILBESTROL, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-05-04
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.934 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
3L6X
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BU of 3l6x by Molmil
Crystal structure of p120 catenin in complex with E-cadherin
Descriptor: Catenin delta-1, E-cadherin, SULFATE ION
Authors:Ishiyama, N, Lee, S.-H, Liu, S, Li, G.-Y, Smith, M.J, Reichardt, L.F, Ikura, M.
Deposit date:2009-12-27
Release date:2010-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Dynamic and static interactions between p120 catenin and E-cadherin regulate the stability of cell-cell adhesion.
Cell(Cambridge,Mass.), 141, 2010
5TVT
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BU of 5tvt by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
Descriptor: 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3-methyl-3,4-dihydropyrimido[5,4-c][1,5]naphthyridin-2(1H)-one, Maternal embryonic leucine zipper kinase
Authors:Seo, H.-Y, Huang, H, Gray, N.S, Dhe-Paganon, S.
Deposit date:2016-11-10
Release date:2017-11-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure of Maternal Embryonic Leucine Zipper Kinase
To Be Published
1CJ0
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BU of 1cj0 by Molmil
CRYSTAL STRUCTURE OF RABBIT CYTOSOLIC SERINE HYDROXYMETHYLTRANSFERASE AT 2.8 ANGSTROM RESOLUTION
Descriptor: PROTEIN (SERINE HYDROXYMETHYLTRANSFERASE), PYRIDOXAL-5'-PHOSPHATE
Authors:Scarsdale, J.N, Kazanina, G, Radaev, S, Schirch, V, Wright, H.T.
Deposit date:1999-04-20
Release date:1999-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of rabbit cytosolic serine hydroxymethyltransferase at 2.8 A resolution: mechanistic implications.
Biochemistry, 38, 1999
5KYK
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BU of 5kyk by Molmil
Covalent GTP-competitive inhibitors of KRAS G12C: Guanosine bisphosphonate Analogs
Descriptor: 5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine, GTPase KRas
Authors:Xiong, Y, Lu, J, Hunter, J, Li, L, Scott, D, Manandhar, A, Gondi, S, Westover, K.D, Gray, N.S.
Deposit date:2016-07-21
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Covalent Guanosine Mimetic Inhibitors of G12C KRAS.
ACS Med Chem Lett, 8, 2017
1CQT
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BU of 1cqt by Molmil
CRYSTAL STRUCTURE OF A TERNARY COMPLEX CONTAINING AN OCA-B PEPTIDE, THE OCT-1 POU DOMAIN, AND AN OCTAMER ELEMENT
Descriptor: DNA (5'-D(*AP*CP*CP*TP*TP*AP*TP*TP*TP*GP*CP*AP*TP*AP*C)-3'), DNA (5'-D(*TP*GP*TP*AP*TP*GP*CP*AP*AP*AP*TP*AP*AP*GP*G)-3'), POU DOMAIN, ...
Authors:Chasman, D.I, Cepek, K, Sharp, P.A, Pabo, C.O.
Deposit date:1999-08-11
Release date:1999-11-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of an OCA-B peptide bound to an Oct-1 POU domain/octamer DNA complex: specific recognition of a protein-DNA interface.
Genes Dev., 13, 1999

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