5T02
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![BU of 5t02 by Molmil](/molmil-images/mine/5t02) | Structural characterisation of mutant Asp39Ala of thioesterase (NmACH) from Neisseria meningitidis | Descriptor: | Acyl-CoA hydrolase, CHLORIDE ION, COENZYME A, ... | Authors: | Khandokar, Y.B, Srivastava, P, Forwood, J.K. | Deposit date: | 2016-08-15 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into GDP-mediated regulation of a bacterial acyl-CoA thioesterase. J. Biol. Chem., 292, 2017
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4WPB
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![BU of 4wpb by Molmil](/molmil-images/mine/4wpb) | Vascular endothelial growth factor in complex with alpha/beta-VEGF-1 | Descriptor: | Vascular endothelial growth factor A, alpha/beta-VEGF-1 | Authors: | Kreitler, D.F, Checco, J.W, Gellman, S.H, Forest, K.T. | Deposit date: | 2014-10-17 | Release date: | 2015-04-15 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Targeting diverse protein-protein interaction interfaces with alpha / beta-peptides derived from the Z-domain scaffold. Proc.Natl.Acad.Sci.USA, 112, 2015
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1TB7
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![BU of 1tb7 by Molmil](/molmil-images/mine/1tb7) | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With AMP | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, ... | Authors: | Zhang, K.Y.J, Card, G.L, Suzuki, Y, Artis, D.R, Fong, D, Gillette, S, Hsieh, D, Neiman, J, West, B.L, Zhang, C, Milburn, M.V, Kim, S.-H, Schlessinger, J, Bollag, G. | Deposit date: | 2004-05-19 | Release date: | 2004-08-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases Mol.Cell, 15, 2004
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1TE1
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![BU of 1te1 by Molmil](/molmil-images/mine/1te1) | Crystal structure of family 11 xylanase in complex with inhibitor (XIP-I) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, endo-1,4-xylanase, ... | Authors: | Payan, F, Leone, P, Furniss, C, Tahir, T, Durand, A, Porciero, S, Manzanares, P, Williamson, G, Gilbert, H.J, Juge, N, Roussel, A. | Deposit date: | 2004-05-24 | Release date: | 2004-07-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Dual Nature of the Wheat Xylanase Protein Inhibitor XIP-I: STRUCTURAL BASIS FOR THE INHIBITION OF FAMILY 10 AND FAMILY 11 XYLANASES. J.Biol.Chem., 279, 2004
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5SWZ
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![BU of 5swz by Molmil](/molmil-images/mine/5swz) | Crystal Structure of NP1-B17 TCR-H2Db-NP complex | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | Authors: | Gras, S, Del Campo, C.M, Farenc, C, Josephs, T.M, Rossjohn, J. | Deposit date: | 2016-08-09 | Release date: | 2016-10-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Reversed T Cell Receptor Docking on a Major Histocompatibility Class I Complex Limits Involvement in the Immune Response. Immunity, 45, 2016
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5KQ5
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![BU of 5kq5 by Molmil](/molmil-images/mine/5kq5) | AMPK bound to allosteric activator | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Calabrese, M.F, Kurumbail, R.G. | Deposit date: | 2016-07-05 | Release date: | 2016-08-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.41 Å) | Cite: | Discovery and Preclinical Characterization of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic Acid (PF-06409577), a Direct Activator of Adenosine Monophosphate-activated Protein Kinase (AMPK), for the Potential Treatment of Diabetic Nephropathy. J.Med.Chem., 59, 2016
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5SZZ
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![BU of 5szz by Molmil](/molmil-images/mine/5szz) | Novel Structural Insights into GDP-Mediated Regulation of Acyl-CoA Thioesterases | Descriptor: | Acyl-CoA hydrolase, CHLORIDE ION, COENZYME A, ... | Authors: | Khandokar, Y.B, Srivastava, P, Forwood, J.K. | Deposit date: | 2016-08-15 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insights into GDP-mediated regulation of a bacterial acyl-CoA thioesterase. J. Biol. Chem., 292, 2017
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1A34
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![BU of 1a34 by Molmil](/molmil-images/mine/1a34) | SATELLITE TOBACCO MOSAIC VIRUS/RNA COMPLEX | Descriptor: | PROTEIN (SATELLITE TOBACCO MOSAIC VIRUS), RNA (5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), RNA (5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3'), ... | Authors: | Larson, S.B, Day, J, Greenwood, A.J, McPherson, A. | Deposit date: | 1998-01-28 | Release date: | 1998-04-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Refined structure of satellite tobacco mosaic virus at 1.8 A resolution. J.Mol.Biol., 277, 1998
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5KU3
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![BU of 5ku3 by Molmil](/molmil-images/mine/5ku3) | BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone) | Descriptor: | 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, Bromodomain-containing protein 4, ... | Authors: | Murray, J.M, Huang, W. | Deposit date: | 2016-07-12 | Release date: | 2016-11-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J. Med. Chem., 59, 2016
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1A02
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![BU of 1a02 by Molmil](/molmil-images/mine/1a02) | STRUCTURE OF THE DNA BINDING DOMAINS OF NFAT, FOS AND JUN BOUND TO DNA | Descriptor: | AP-1 FRAGMENT FOS, AP-1 FRAGMENT JUN, DNA (5'-D(*DAP*DAP*DCP*DTP*DAP*DTP*DGP*DAP*DAP*DAP*DCP*DAP*DAP*DAP*DTP*DTP*DTP*DTP*DCP*DC)-3'), ... | Authors: | Chen, L, Glover, J.N.M, Hogan, P.G, Rao, A, Harrison, S.C. | Deposit date: | 1997-12-08 | Release date: | 1998-05-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of the DNA-binding domains from NFAT, Fos and Jun bound specifically to DNA. Nature, 392, 1998
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5KSY
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![BU of 5ksy by Molmil](/molmil-images/mine/5ksy) | hMiro1 C-domain GDP Complex P41212 Crystal Form | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Mitochondrial Rho GTPase 1 | Authors: | Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M. | Deposit date: | 2016-07-10 | Release date: | 2016-09-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.482 Å) | Cite: | Structural insights into Parkin substrate lysine targeting from minimal Miro substrates. Sci Rep, 6, 2016
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1T3X
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![BU of 1t3x by Molmil](/molmil-images/mine/1t3x) | |
5SWS
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![BU of 5sws by Molmil](/molmil-images/mine/5sws) | Crystal Structure of NP2-B17 TCR-H2Db-NP complex | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | Authors: | Gras, S, Del Campo, C.M, Farenc, C, Josephs, T.M, Rossjohn, J. | Deposit date: | 2016-08-08 | Release date: | 2016-10-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Reversed T Cell Receptor Docking on a Major Histocompatibility Class I Complex Limits Involvement in the Immune Response. Immunity, 45, 2016
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5KYY
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![BU of 5kyy by Molmil](/molmil-images/mine/5kyy) | Crystal structure of Sec23 and TANGO1 peptide4 complex | Descriptor: | Protein transport protein Sec23A, Protein transport protein Sec24D, ZINC ION | Authors: | Ma, W, Goldberg, J. | Deposit date: | 2016-07-22 | Release date: | 2016-09-07 | Last modified: | 2017-08-23 | Method: | X-RAY DIFFRACTION (3.403 Å) | Cite: | TANGO1/cTAGE5 receptor as a polyvalent template for assembly of large COPII coats. Proc.Natl.Acad.Sci.USA, 113, 2016
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1T0J
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![BU of 1t0j by Molmil](/molmil-images/mine/1t0j) | Crystal structure of a complex between voltage-gated calcium channel beta2a subunit and a peptide of the alpha1c subunit | Descriptor: | CHLORIDE ION, Voltage-dependent L-type calcium channel alpha-1C subunit, voltage-gated calcium channel subunit beta2a | Authors: | Van Petegem, F, Clark, K, Chatelain, F, Minor Jr, D. | Deposit date: | 2004-04-09 | Release date: | 2004-06-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a complex between a voltage-gated calcium channel beta-subunit and an alpha-subunit domain. Nature, 429, 2004
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3K0K
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![BU of 3k0k by Molmil](/molmil-images/mine/3k0k) | Crystal Structure of BRCA1 BRCT in complex with a minimal recognition tetrapeptide with a free carboxy C-terminus. | Descriptor: | Breast cancer type 1 susceptibility protein, CHLORIDE ION, NICKEL (II) ION, ... | Authors: | Campbell, S.J, Edwards, R.A, Glover, J.N. | Deposit date: | 2009-09-24 | Release date: | 2010-03-02 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1 Structure, 18, 2010
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1SUH
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![BU of 1suh by Molmil](/molmil-images/mine/1suh) | AMINO-TERMINAL DOMAIN OF EPITHELIAL CADHERIN IN THE CALCIUM BOUND STATE, NMR, 20 STRUCTURES | Descriptor: | EPITHELIAL CADHERIN | Authors: | Overduin, M, Tong, K.I, Kay, C.M, Ikura, M. | Deposit date: | 1996-01-30 | Release date: | 1996-07-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | 1H, 15N and 13C resonance assignments and monomeric structure of the amino-terminal extracellular domain of epithelial cadherin. J.Biomol.NMR, 7, 1996
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1T29
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![BU of 1t29 by Molmil](/molmil-images/mine/1t29) | Crystal structure of the BRCA1 BRCT repeats bound to a phosphorylated BACH1 peptide | Descriptor: | BACH1 phosphorylated peptide, Breast cancer type 1 susceptibility protein | Authors: | Shiozaki, E.N, Gu, L, Yan, N, Shi, Y. | Deposit date: | 2004-04-20 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the BRCT repeats of BRCA1 bound to a BACH1 phosphopeptide: implications for signaling. Mol.Cell, 14, 2004
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5KJ0
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![BU of 5kj0 by Molmil](/molmil-images/mine/5kj0) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH DB-1-264-2 | Descriptor: | 1,2-ETHANEDIOL, 4-[[(7~{R})-8-cyclopentyl-7-ethyl-5-methyl-6-oxidanylidene-7~{H}-pteridin-2-yl]-methyl-amino]-3-methoxy-~{N}-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4 | Authors: | Zhu, J.-Y, Ember, S.W, Schonbrunn, E. | Deposit date: | 2016-06-17 | Release date: | 2017-08-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Assessment of Bromodomain Target Engagement by a Series of BI2536 Analogues with Miniaturized BET-BRET. ChemMedChem, 11, 2016
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5KYX
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![BU of 5kyx by Molmil](/molmil-images/mine/5kyx) | crystal structure of Sec23 and TANGO1 peptide1 complex | Descriptor: | Protein transport protein Sec23A, Protein transport protein Sec24D, ZINC ION | Authors: | Ma, W, Goldberg, J. | Deposit date: | 2016-07-22 | Release date: | 2016-09-07 | Last modified: | 2017-08-23 | Method: | X-RAY DIFFRACTION (3.516 Å) | Cite: | TANGO1/cTAGE5 receptor as a polyvalent template for assembly of large COPII coats. Proc.Natl.Acad.Sci.USA, 113, 2016
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1T3Y
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5JKG
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![BU of 5jkg by Molmil](/molmil-images/mine/5jkg) | The crystal structure of FGFR4 kinase domain in complex with LY2874455 | Descriptor: | 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4 | Authors: | Wu, D, Chen, L, Chen, Y. | Deposit date: | 2016-04-26 | Release date: | 2016-10-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.352 Å) | Cite: | Crystal Structure of the FGFR4/LY2874455 Complex Reveals Insights into the Pan-FGFR Selectivity of LY2874455 Plos One, 11, 2016
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5ITR
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![BU of 5itr by Molmil](/molmil-images/mine/5itr) | Crystal Structure of Human NEIL1(P2G) bound to duplex DNA containing THF | Descriptor: | DNA (26-MER), Endonuclease 8-like 1 | Authors: | Zhu, C, Lu, L, Zhang, J, Yue, Z, Song, J, Zong, S, Liu, M, Stovicek, O, Gao, Y, Yi, C. | Deposit date: | 2016-03-17 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair Proc.Natl.Acad.Sci.USA, 113, 2016
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3K5V
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![BU of 3k5v by Molmil](/molmil-images/mine/3k5v) | Structure of Abl kinase in complex with imatinib and GNF-2 | Descriptor: | 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ... | Authors: | Cowan-Jacob, S.W, Fendrich, G, Rummel, G, Strauss, A. | Deposit date: | 2009-10-08 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Targeting Bcr-Abl by combining allosteric with ATP-binding-site inhibitors. Nature, 463, 2010
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4WEX
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![BU of 4wex by Molmil](/molmil-images/mine/4wex) | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation Y168S | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | Deposit date: | 2014-09-11 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase. Sci Rep, 5, 2015
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