6K4U
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![BU of 6k4u by Molmil](/molmil-images/mine/6k4u) | Crystal structure of xCas9 in complex with sgRNA and DNA (TGA PAM) | Descriptor: | CRISPR-associated endonuclease Cas9, non-target DNA, sgRNA, ... | Authors: | Chen, W, Zhang, H, Zhang, Y, Wang, Y, Gan, J, Ji, Q. | Deposit date: | 2019-05-27 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Molecular basis for the PAM expansion and fidelity enhancement of an evolved Cas9 nuclease. Plos Biol., 17, 2019
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4J21
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![BU of 4j21 by Molmil](/molmil-images/mine/4j21) | Tankyrase 2 in complex with 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one | Descriptor: | 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one, SULFATE ION, Tankyrase-2, ... | Authors: | Jansson, A.E, Larsson, E.A, Nordlund, P.L. | Deposit date: | 2013-02-04 | Release date: | 2013-06-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Fragment-based ligand design of novel potent inhibitors of tankyrases. J.Med.Chem., 56, 2013
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2QKS
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4J3L
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![BU of 4j3l by Molmil](/molmil-images/mine/4j3l) | Tankyrase 2 in complex with 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide | Descriptor: | 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide, SULFATE ION, Tankyrase-2, ... | Authors: | Jansson, A.E, Larsson, E.A, Nordlund, P.L. | Deposit date: | 2013-02-05 | Release date: | 2013-06-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Fragment-based ligand design of novel potent inhibitors of tankyrases. J.Med.Chem., 56, 2013
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7VVG
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1OW8
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![BU of 1ow8 by Molmil](/molmil-images/mine/1ow8) | Paxillin LD2 motif bound to the Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase | Descriptor: | Focal adhesion kinase 1, Paxillin | Authors: | Hoellerer, M.K, Noble, M.E.M, Labesse, G, Werner, J.M, Arold, S.T. | Deposit date: | 2003-03-28 | Release date: | 2003-10-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Molecular Recognition of Paxillin LD Motifs
by the Focal Adhesion Targeting Domain Structure, 11, 2003
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7VV8
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5OWS
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![BU of 5ows by Molmil](/molmil-images/mine/5ows) | Crystal structure of TNKS2 in complex with 2-[4-(4-methyl-2-oxoimidazolidin-4-yl)phenyl]-3,4-dihydroquinazolin-4-one | Descriptor: | 2-[4-[(4~{S})-4-methyl-2-oxidanylidene-imidazolidin-4-yl]phenyl]-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | Deposit date: | 2017-09-04 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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4IWT
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5N68
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![BU of 5n68 by Molmil](/molmil-images/mine/5n68) | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9m | Descriptor: | 2-(4-morpholin-4-ylphenyl)-~{N}4-(2-phenylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14 | Authors: | Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2017-02-14 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12, 2017
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2QBW
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![BU of 2qbw by Molmil](/molmil-images/mine/2qbw) | The crystal structure of PDZ-Fibronectin fusion protein | Descriptor: | PDZ-Fibronectin fusion protein, Polypeptide | Authors: | Huang, J, Makabe, K, Koide, A, Koide, S. | Deposit date: | 2007-06-18 | Release date: | 2008-04-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design of protein function leaps by directed domain interface evolution. Proc.Natl.Acad.Sci.Usa, 105, 2008
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5N63
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![BU of 5n63 by Molmil](/molmil-images/mine/5n63) | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9c | Descriptor: | Mitogen-activated protein kinase 14, ~{N}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine | Authors: | Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2017-02-14 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12, 2017
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6K5M
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![BU of 6k5m by Molmil](/molmil-images/mine/6k5m) | The crystal structure of a serotonin N-acetyltransferase from Oryza Sativa (Rice) | Descriptor: | Serotonin N-acetyltransferase 1, chloroplastic | Authors: | Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X. | Deposit date: | 2019-05-29 | Release date: | 2020-06-03 | Last modified: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.793 Å) | Cite: | Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis. Angew.Chem.Int.Ed.Engl., 60, 2021
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4IWC
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![BU of 4iwc by Molmil](/molmil-images/mine/4iwc) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with a Dynamic Thiophene-derivative | Descriptor: | 4,4'-thiene-2,5-diylbis(3-methylphenol), Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2013-01-23 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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6K5R
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![BU of 6k5r by Molmil](/molmil-images/mine/6k5r) | Complex of SUMO2 with Phosphorylated viral SIM IE2 | Descriptor: | ASP-THR-ALA-GLY-CYS-ILE-VAL-ILE-SEP-ASP-SEP-GLU, Small ubiquitin-related modifier 3 | Authors: | Chatterjee, K.S, Das, R. | Deposit date: | 2019-05-30 | Release date: | 2019-08-07 | Last modified: | 2019-12-25 | Method: | SOLUTION NMR | Cite: | Casein kinase-2-mediated phosphorylation increases the SUMO-dependent activity of the cytomegalovirus transactivator IE2. J.Biol.Chem., 294, 2019
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2Q9V
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![BU of 2q9v by Molmil](/molmil-images/mine/2q9v) | Crystal structure of the C890S mutant of the 4th PDZ domain of human membrane associated guanylate kinase | Descriptor: | Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 | Authors: | Pilka, E.S, Hozjan, V, Kavanagh, K.L, Papagrigoriou, E, Cooper, C, Elkins, J.M, Doyle, D.A, von Delft, F, Sundstrom, M, Arrowsmith, C.A, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2007-06-14 | Release date: | 2007-06-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the C890S mutant of the 4th PDZ domain of human membrane associated guanylate kinase. To be Published
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4IUU
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4IVV
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4IW6
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![BU of 4iw6 by Molmil](/molmil-images/mine/4iw6) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 7b | Descriptor: | 4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2013-01-23 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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3ZSG
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![BU of 3zsg by Molmil](/molmil-images/mine/3zsg) | X-ray structure of p38alpha bound to TAK-715 | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, TAK-715, octyl beta-D-glucopyranoside | Authors: | Azevedo, R, van Zeeland, M, Raaijmakers, H, Kazemier, B, Oubrie, A. | Deposit date: | 2011-06-28 | Release date: | 2012-06-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | X-ray structure of p38 alpha bound to TAK-715: comparison with three classic inhibitors. Acta Crystallogr. D Biol. Crystallogr., 68, 2012
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5AL3
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![BU of 5al3 by Molmil](/molmil-images/mine/5al3) | Crystal structure of TNKS2 in complex with 2-(2,4-dichlorophenyl)-1- methyl-1H,2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one | Descriptor: | (2R)-2-(2,4-dichlorophenyl)-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Lehtio, L. | Deposit date: | 2015-03-06 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics. Bioorg.Med.Chem., 23, 2015
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5Z7I
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![BU of 5z7i by Molmil](/molmil-images/mine/5z7i) | Caulobacter crescentus GcrA DNA-binding domain(DBD)in complex with unmethylated dsDNA | Descriptor: | (R,R)-2,3-BUTANEDIOL, Cell cycle regulatory protein GcrA, DNA (5'-D(*CP*CP*CP*TP*GP*AP*TP*TP*CP*GP*C*)-3'), ... | Authors: | Wu, X, Zhang, Y. | Deposit date: | 2018-01-29 | Release date: | 2018-03-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Structural insights into the unique mechanism of transcription activation by Caulobacter crescentus GcrA. Nucleic Acids Res., 46, 2018
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5AJA
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![BU of 5aja by Molmil](/molmil-images/mine/5aja) | Crystal structure of mandrill SAMHD1 (amino acid residues 1-114) bound to Vpx isolated from mandrill and human DCAF1 (amino acid residues 1058-1396) | Descriptor: | PROTEIN VPRBP, SAM DOMAIN AND HD DOMAIN-CONTAINING PROTEIN, VPX PROTEIN, ... | Authors: | Schwefel, D, Boucherit, V.C, Christodoulou, E, Walker, P.A, Stoye, J.P, Bishop, K.N, Taylor, I.A. | Deposit date: | 2015-02-20 | Release date: | 2015-04-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.649 Å) | Cite: | Molecular Determinants for Recognition of Divergent Samhd1 Proteins by the Lentiviral Accessory Protein Vpx. Cell Host Microbe., 17, 2015
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5A51
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8OR3
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![BU of 8or3 by Molmil](/molmil-images/mine/8or3) | CAND1-CUL1-RBX1-SKP1-SKP2-DCNL1 | Descriptor: | Cullin-1, Cullin-associated NEDD8-dissociated protein 1, DCN1-like protein 1, ... | 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 (2.9 Å) | Cite: | Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange. Mol.Cell, 83, 2023
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