3L08
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![BU of 3l08 by Molmil](/molmil-images/mine/3l08) | Structure of Pi3K gamma with a potent inhibitor: GSK2126458 | Descriptor: | 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Elkins, P.A, Marrero, E.M. | Deposit date: | 2009-12-09 | Release date: | 2010-06-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin. ACS Med Chem Lett, 1, 2010
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4JT9
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![BU of 4jt9 by Molmil](/molmil-images/mine/4jt9) | Crystal Structure of human SIRT3 with ELT inhibitor 3 [14-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide] | Descriptor: | 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, GLYCEROL, NAD-dependent protein deacetylase sirtuin-3, ... | Authors: | Dai, H. | Deposit date: | 2013-03-22 | Release date: | 2013-04-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Discovery of Thieno[3,2-d]pyrimidine-6-carboxamides as Potent Inhibitors of SIRT1, SIRT2, and SIRT3. J.Med.Chem., 56, 2013
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2OSY
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3ENM
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![BU of 3enm by Molmil](/molmil-images/mine/3enm) | The structure of the MAP2K MEK6 reveals an autoinhibitory dimer | Descriptor: | 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 6, GLYCEROL, ... | Authors: | Min, X, Akella, R, He, H, Humphreys, J.M, Tsutakawa, S, Lee, S.-J, Tainer, J.A, Cobb, M.H, Goldsmith, E.J. | Deposit date: | 2008-09-25 | Release date: | 2009-03-03 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The structure of the MAP2K MEK6 reveals an autoinhibitory dimer Structure, 17, 2009
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2QKF
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![BU of 2qkf by Molmil](/molmil-images/mine/2qkf) | Crystal structure of 3-deoxy-d-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis | Descriptor: | 3-deoxy-D-manno-octulosonic acid 8- phosphate synthetase, CHLORIDE ION, GLYCEROL, ... | Authors: | Cochrane, F.C, Patchett, M.L, Jameson, G.B, Parker, E.J. | Deposit date: | 2007-07-11 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Re-Establishing a Metal-Binding Scaffold with Full Activity in the Metal-Independent Kdo8P Synthase from Neisseria Meningitidis To be Published
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4J75
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![BU of 4j75 by Molmil](/molmil-images/mine/4j75) | Crystal Structure of a parasite tRNA synthetase, product-bound | Descriptor: | GLYCEROL, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase | Authors: | Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-02-12 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of Plasmodium falciparum cytosolic tryptophanyl-tRNA synthetase and its potential as a target for structure-guided drug design. Mol.Biochem.Parasitol., 189, 2013
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5D0S
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2QRG
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![BU of 2qrg by Molmil](/molmil-images/mine/2qrg) | Glycogen Phosphorylase b in complex with (1R)-3'-(4-methoxyphenyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline] | Descriptor: | (5R,7R,8S,9S,10R)-7-(HYDROXYMETHYL)-3-(4-METHOXYPHENYL)-1,6-DIOXA-2-AZASPIRO[4.5]DEC-2-ENE-8,9,10-TRIOL, Glycogen phosphorylase, muscle form | Authors: | Kizilis, G, Alexacou, K.-M, Chrysina, E.D, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G. | Deposit date: | 2007-07-28 | Release date: | 2008-08-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Glucose-based spiro-isoxazolines: a new family of potent glycogen phosphorylase inhibitors. Bioorg.Med.Chem., 17, 2009
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3G76
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![BU of 3g76 by Molmil](/molmil-images/mine/3g76) | Crystal structure of XIAP-BIR3 in complex with a bivalent compound | Descriptor: | 1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2S,3R)-2-[(N-methyl-L-alanyl)amino]-1-oxobutane-3,1-diyl}(2S)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1H-tetrazole], Baculoviral IAP repeat-containing protein 4, ZINC ION | Authors: | Cossu, F, Milani, M, Mastrangelo, E, Bolognesi, M. | Deposit date: | 2009-02-09 | Release date: | 2009-05-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for bivalent smac-mimetics recognition in the IAP protein family J.Mol.Biol., 392, 2009
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3KVU
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![BU of 3kvu by Molmil](/molmil-images/mine/3kvu) | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - T42S mutant in complex with Acetyl-CoA | Descriptor: | ACETYL COENZYME *A, Fluoroacetyl-CoA thioesterase FlK | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-11-30 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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4TRW
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![BU of 4trw by Molmil](/molmil-images/mine/4trw) | Structure of BACE1 complex with a syn-HEA-type inhibitor | Descriptor: | Beta-secretase 1, L-alpha-glutamyl-L-isoleucyl-N-[(2R,3S)-1-{[(1S)-1-carboxybutyl]amino}-2-hydroxy-5-methylhexan-3-yl]-3-thiophen-2-yl-L-alaninamide | Authors: | Akaji, K, Teruya, K, Akiyama, T, Sanjho, A, Yamashita, E, Nakagawa, A. | Deposit date: | 2014-06-18 | Release date: | 2015-07-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Evaluation of transition-state mimics in a superior BACE1 cleavage sequence as peptide-mimetic BACE1 inhibitors Bioorg.Med.Chem., 23, 2015
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3KXH
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![BU of 3kxh by Molmil](/molmil-images/mine/3kxh) | Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor (2-dymethylammino-4,5,6,7-tetrabromobenzoimidazol-1yl-acetic acid (K66) | Descriptor: | Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, [4,5,6,7-tetrabromo-2-(dimethylamino)-1H-benzimidazol-1-yl]acetic acid | Authors: | Papinutto, E, Franchin, C, Battistutta, R. | Deposit date: | 2009-12-03 | Release date: | 2010-11-17 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | ATP site-directed inhibitors of protein kinase CK2: an update. Curr Top Med Chem, 11, 2011
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4LP1
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![BU of 4lp1 by Molmil](/molmil-images/mine/4lp1) | Crystal structure of CyaY protein from Psychromonas ingrahamii in complex with Eu(III) | Descriptor: | EUROPIUM (III) ION, Protein CyaY | Authors: | Noguera, M.E, Roman, E.A, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | Deposit date: | 2013-07-14 | Release date: | 2014-07-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Structural characterization of metal binding to a cold-adapted frataxin J.Biol.Inorg.Chem., 20, 2015
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2ESH
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![BU of 2esh by Molmil](/molmil-images/mine/2esh) | Crystal Structure of Conserved Protein of Unknown Function TM0937- a Potential Transcriptional Factor | Descriptor: | CALCIUM ION, conserved hypothetical protein TM0937 | Authors: | Liu, Y, Bochkareva, E, Zheng, H, Xu, X, Nocek, B, Lunin, V, Edward, A, Pai, E.F, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-10-26 | Release date: | 2005-12-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Conserved Hypothetical Protein TM0937 To be Published
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5OT7
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![BU of 5ot7 by Molmil](/molmil-images/mine/5ot7) | Elongation factor G-ribosome complex captures in the absence of inhibitors. | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Mace, K, Giudice, E, Chat, S, Gillet, R. | Deposit date: | 2017-08-21 | Release date: | 2018-02-14 | Last modified: | 2018-04-11 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | The structure of an elongation factor G-ribosome complex captured in the absence of inhibitors. Nucleic Acids Res., 46, 2018
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2PFJ
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![BU of 2pfj by Molmil](/molmil-images/mine/2pfj) | Crystal Structure of T7 Endo I resolvase in complex with a Holliday Junction | Descriptor: | 27-MER, CALCIUM ION, Endodeoxyribonuclease 1 | Authors: | Hadden, J.M, Declais, A.C, Carr, S.B, Lilley, D.M, Phillips, S.E. | Deposit date: | 2007-04-05 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The structural basis of Holliday junction resolution by T7 endonuclease I. Nature, 449, 2007
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5D9A
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![BU of 5d9a by Molmil](/molmil-images/mine/5d9a) | Influenza C Virus RNA-dependent RNA Polymerase - Space group P212121 | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit | Authors: | Hengrung, N, El Omari, K, Serna Martin, I, Vreede, F.T, Cusack, S, Rambo, R.P, Vonrhein, C, Bricogne, G, Stuart, D.I, Grimes, J.M, Fodor, E. | Deposit date: | 2015-08-18 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (4.3 Å) | Cite: | Crystal structure of the RNA-dependent RNA polymerase from influenza C virus. Nature, 527, 2015
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1SWG
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![BU of 1swg by Molmil](/molmil-images/mine/1swg) | CIRCULAR PERMUTED STREPTAVIDIN E51/A46 IN COMPLEX WITH BIOTIN | Descriptor: | BIOTIN, CIRCULARLY PERMUTED CORE-STREPTAVIDIN E51/A46 | Authors: | Freitag, S, Chu, V, Le Trong, I, Stayton, P.S, Stenkamp, R.E. | Deposit date: | 1997-07-12 | Release date: | 1998-07-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Thermodynamic and structural consequences of flexible loop deletion by circular permutation in the streptavidin-biotin system. Protein Sci., 7, 1998
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1SWF
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![BU of 1swf by Molmil](/molmil-images/mine/1swf) | CIRCULAR PERMUTED STREPTAVIDIN E51/A46 | Descriptor: | CIRCULARLY PERMUTED CORE-STREPTAVIDIN E51/A46 | Authors: | Freitag, S, Chu, V, Le Trong, I, Stayton, P.S, Stenkamp, R.E. | Deposit date: | 1997-04-23 | Release date: | 1998-04-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Thermodynamic and structural consequences of flexible loop deletion by circular permutation in the streptavidin-biotin system. Protein Sci., 7, 1998
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3WUL
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5DID
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![BU of 5did by Molmil](/molmil-images/mine/5did) | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a difluoro-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol | Descriptor: | (1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol, 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: | 2015-08-31 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5DAT
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![BU of 5dat by Molmil](/molmil-images/mine/5dat) | Complex of yeast 80S ribosome with hypusine-containing eIF5A | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | Authors: | Melnikov, S, Mailliot, J, Shin, B.-S, Rigger, L, Yusupova, G, Micura, R, Dever, T.E, Yusupov, M. | Deposit date: | 2015-08-20 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Coping with proline stalling: structural basis of hypusine-induced protein synthesis by the eukaryotic ribosome To Be Published
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1HI0
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![BU of 1hi0 by Molmil](/molmil-images/mine/1hi0) | RNA dependent RNA polymerase from dsRNA bacteriophage phi6 plus initiation complex | Descriptor: | DNA (5'-(*TP*TP*TP*CP*C)-3'), GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Grimes, J.M, Butcher, S.J, Makeyev, E.V, Bamford, D.H, Stuart, D.I. | Deposit date: | 2000-12-31 | Release date: | 2001-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A Mechanism for Initiating RNA-Dependent RNA Polymerization Nature, 410, 2001
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1HNG
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![BU of 1hng by Molmil](/molmil-images/mine/1hng) | CRYSTAL STRUCTURE AT 2.8 ANGSTROMS RESOLUTION OF A SOLUBLE FORM OF THE CELL ADHESION MOLECULE CD2 | Descriptor: | CD2 | Authors: | Jones, E.Y, Davis, S.J, Williams, A.F, Harlos, K, Stuart, D.I. | Deposit date: | 1994-08-10 | Release date: | 1995-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure at 2.8 A resolution of a soluble form of the cell adhesion molecule CD2. Nature, 360, 1992
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2JII
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![BU of 2jii by Molmil](/molmil-images/mine/2jii) | Structure of vaccinia related kinase 3 | Descriptor: | 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE VRK3 MOLECULE: VACCINIA RELATED KINASE 3 | Authors: | Bunkoczi, G, Eswaran, J, Pike, A.C.W, Uppenberg, J, Ugochukwu, E, von Delft, F, Cooper, C, Salah, E, Savitsky, P, Burgess-Brown, N, Keates, T, Fedorov, O, Sobott, F, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, Knapp, S. | Deposit date: | 2007-06-28 | Release date: | 2007-07-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the pseudokinase VRK3 reveals a degraded catalytic site, a highly conserved kinase fold, and a putative regulatory binding site. Structure, 17, 2009
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