3W0R
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![BU of 3w0r by Molmil](/molmil-images/mine/3w0r) | Crystal structure of a thermostable mutant of aminoglycoside phosphotransferase APH(4)-Ia (N202A), ternary complex with AMP-PNP and hygromycin B | Descriptor: | HYGROMYCIN B VARIANT, Hygromycin-B 4-O-kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Iino, D, Takakura, Y, Fukano, K, Sasaki, Y, Hoshino, T, Ohsawa, K, Nakamura, A, Yajima, S. | Deposit date: | 2012-11-02 | Release date: | 2013-08-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of the ternary complex of APH(4)-Ia/Hph with hygromycin B and an ATP analog using a thermostable mutant. J.Struct.Biol., 183, 2013
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3MRI
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![BU of 3mri by Molmil](/molmil-images/mine/3mri) | Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide G4M-V5W variant | Descriptor: | 9-meric peptide from Serine protease/NTPase/helicase NS3, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Reiser, J.-B, Le Gorrec, M, Chouquet, A, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | Deposit date: | 2010-04-29 | Release date: | 2011-05-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide G4M-V5W variant To be Published
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3MRN
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![BU of 3mrn by Molmil](/molmil-images/mine/3mrn) | Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS4b-1807-1816 decapeptide | Descriptor: | 10-meric peptide from Genome polyprotein, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Gras, S, Chouquet, A, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | Deposit date: | 2010-04-29 | Release date: | 2011-05-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS4b-1807-1816 decapeptide To be Published
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3VBF
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![BU of 3vbf by Molmil](/molmil-images/mine/3vbf) | Crystal structure of formaldehyde treated human Enterovirus 71 (space group I23) | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Genome Polyprotein, ... | Authors: | Wang, X, Peng, W, Ren, J, Hu, Z, Xu, J, Lou, Z, Li, X, Yin, W, Shen, X, Porta, C, Walter, T.S, Evans, G, Axford, D, Owen, R, Rowlands, D.J, Wang, J, Stuart, D.I, Fry, E.E, Rao, Z. | Deposit date: | 2012-01-02 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A sensor-adaptor mechanism for enterovirus uncoating from structures of EV71. Nat.Struct.Mol.Biol., 19, 2012
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3MRB
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![BU of 3mrb by Molmil](/molmil-images/mine/3mrb) | Crystal Structure of MHC class I HLA-A2 molecule complexed with HCMV pp65-495-503 nonapeptide A7H variant | Descriptor: | 9-meric peptide from Tegument protein pp65, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Gras, S, Reiser, J.-B, Chouquet, A, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | Deposit date: | 2010-04-29 | Release date: | 2011-05-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structure of MHC class I HLA-A2 molecule complexed with short peptide To be Published
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3MA2
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![BU of 3ma2 by Molmil](/molmil-images/mine/3ma2) | Complex membrane type-1 matrix metalloproteinase (MT1-MMP) with tissue inhibitor of metalloproteinase-1 (TIMP-1) | Descriptor: | CALCIUM ION, Matrix metalloproteinase-14, Metalloproteinase inhibitor 1, ... | Authors: | Grossman, M, Tworowski, D, Dym, O, Lee, M.-H, Levy, Y, Sagi, I. | Deposit date: | 2010-03-23 | Release date: | 2010-06-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The Intrinsic Protein Flexibility of Endogenous Protease Inhibitor TIMP-1 Controls Its Binding Interface and Affects Its Function. Biochemistry, 49, 2010
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3M4O
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![BU of 3m4o by Molmil](/molmil-images/mine/3m4o) | RNA polymerase II elongation complex B | Descriptor: | DNA (28-MER), DNA (5'-D(P*GP*TP*GP*GP*TP*TP*AP*TP*GP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Wang, D, Zhu, G, Huang, X, Lippard, S.J. | Deposit date: | 2010-03-11 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.57 Å) | Cite: | X-ray structure and mechanism of RNA polymerase II stalled at an antineoplastic monofunctional platinum-DNA adduct. Proc.Natl.Acad.Sci.USA, 107, 2010
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3VNU
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![BU of 3vnu by Molmil](/molmil-images/mine/3vnu) | Complex structure of viral RNA polymerase I | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Elongation factor Ts, ... | Authors: | Takeshita, D, Tomita, K. | Deposit date: | 2012-01-18 | Release date: | 2012-08-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Mechanism for template-independent terminal adenylation activity of Q beta replicase Structure, 20, 2012
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3MRE
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![BU of 3mre by Molmil](/molmil-images/mine/3mre) | Crystal Structure of MHC class I HLA-A2 molecule complexed with EBV bmlf1-280-288 nonapeptide | Descriptor: | 9-meric peptide from mRNA export factor EB2, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Gras, S, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | Deposit date: | 2010-04-29 | Release date: | 2011-05-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Analysis of Relationships between Peptide/MHC Structural Features and Naive T Cell Frequency in Humans. J.Immunol., 193, 2014
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3MRL
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![BU of 3mrl by Molmil](/molmil-images/mine/3mrl) | Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide C6V variant | Descriptor: | 9-meric peptide from Serine protease/NTPase/helicase NS3, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Gras, S, Reiser, J.-B, Chouquet, A, Le Gorrec, M, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | Deposit date: | 2010-04-29 | Release date: | 2011-05-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Analysis of Relationships between Peptide/MHC Structural Features and Naive T Cell Frequency in Humans. J.Immunol., 193, 2014
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4W9S
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![BU of 4w9s by Molmil](/molmil-images/mine/4w9s) | 2-(4-(1H-tetrazol-5-yl)phenyl)-5-hydroxypyrimidin-4(3H)-one bound to influenza 2009 H1N1 endonuclease | Descriptor: | 5-hydroxy-2-[4-(1H-tetrazol-5-yl)phenyl]pyrimidin-4(3H)-one, MANGANESE (II) ION, Polymerase acidic protein, ... | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | Deposit date: | 2014-08-27 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Phenyl Substituted 4-Hydroxypyridazin-3(2H)-ones and 5-Hydroxypyrimidin-4(3H)-ones: Inhibitors of Influenza A Endonuclease. J.Med.Chem., 57, 2014
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7YZ4
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![BU of 7yz4 by Molmil](/molmil-images/mine/7yz4) | Mouse endoribonuclease Dicer (composite structure) | Descriptor: | Endoribonuclease Dicer | Authors: | Zanova, M, Zapletal, D, Kubicek, K, Stefl, R, Pinkas, M, Novacek, J. | Deposit date: | 2022-02-18 | Release date: | 2022-11-16 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.84 Å) | Cite: | Structural and functional basis of mammalian microRNA biogenesis by Dicer. Mol.Cell, 82, 2022
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7Z5X
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![BU of 7z5x by Molmil](/molmil-images/mine/7z5x) | ROS1 with AstraZeneca ligand 2 | Descriptor: | (2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol, Proto-oncogene tyrosine-protein kinase ROS | Authors: | Hargreaves, D. | Deposit date: | 2022-03-10 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.035 Å) | Cite: | Virtual Screening in the Cloud Identifies Potent and Selective ROS1 Kinase Inhibitors. J.Chem.Inf.Model., 62, 2022
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7YYM
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![BU of 7yym by Molmil](/molmil-images/mine/7yym) | Mammalian Dicer in the "pre-dicing state" with pre-miR-15a substrate | Descriptor: | 59-nt precursor of miR-15a, Endoribonuclease Dicer | Authors: | Zanova, M, Zapletal, D, Kubicek, K, Stefl, R, Pinkas, M, Novacek, J. | Deposit date: | 2022-02-18 | Release date: | 2022-11-16 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (4.19 Å) | Cite: | Structural and functional basis of mammalian microRNA biogenesis by Dicer. Mol.Cell, 82, 2022
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7YYN
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![BU of 7yyn by Molmil](/molmil-images/mine/7yyn) | Mammalian Dicer in the dicing state with pre-miR-15a substrate | Descriptor: | 59-nt precursor of miR-15a, Isoform 2 of Endoribonuclease Dicer | Authors: | Zanova, M, Zapletal, D, Kubicek, K, Stefl, R, Pinkas, M, Novacek, J. | Deposit date: | 2022-02-18 | Release date: | 2022-11-16 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (6.21 Å) | Cite: | Structural and functional basis of mammalian microRNA biogenesis by Dicer. Mol.Cell, 82, 2022
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7Z5W
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![BU of 7z5w by Molmil](/molmil-images/mine/7z5w) | ROS1 with AstraZeneca ligand 1 | Descriptor: | Proto-oncogene tyrosine-protein kinase ROS, SULFATE ION, ~{N}-[6-methyl-2-[(2~{S})-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine | Authors: | Hargreaves, D. | Deposit date: | 2022-03-10 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.254 Å) | Cite: | Virtual Screening in the Cloud Identifies Potent and Selective ROS1 Kinase Inhibitors. J.Chem.Inf.Model., 62, 2022
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4V59
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![BU of 4v59 by Molmil](/molmil-images/mine/4v59) | Crystal structure of fatty acid synthase complexed with nadp+ from thermomyces lanuginosus at 3.1 angstrom resolution. | Descriptor: | FATTY ACID SYNTHASE ALPHA SUBUNITS, FATTY ACID SYNTHASE BETA SUBUNITS, FLAVIN MONONUCLEOTIDE, ... | Authors: | Jenni, S, Leibundgut, M, Boehringer, D, Frick, C, Mikolasek, B, Ban, N. | Deposit date: | 2007-03-09 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of Fungal Fatty Acid Synthase and Implications for Iterative Substrate Shuttling Science, 316, 2007
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4UWF
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![BU of 4uwf by Molmil](/molmil-images/mine/4uwf) | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | Descriptor: | (8S)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3 | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | Deposit date: | 2014-08-12 | Release date: | 2014-11-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
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4UYR
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![BU of 4uyr by Molmil](/molmil-images/mine/4uyr) | X-ray structure of the N-terminal domain of the flocculin Flo11 from Saccharomyces cerevisiae | Descriptor: | FLOCCULATION PROTEIN FLO11, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Veelders, M, Kraushaar, T, Brueckner, S, Rhinow, D, Moesch, H.U, Essen, L.O. | Deposit date: | 2014-09-03 | Release date: | 2015-08-12 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (0.89 Å) | Cite: | Interactions by the Fungal Flo11 Adhesin Depend on a Fibronectin Type III-Like Adhesin Domain Girdled by Aromatic Bands. Structure, 23, 2015
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4V8T
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![BU of 4v8t by Molmil](/molmil-images/mine/4v8t) | Cryo-EM Structure of the 60S Ribosomal Subunit in Complex with Arx1 and Rei1 | Descriptor: | 25S RIBOSOMAL RNA, 5.8S RIBOSOMAL RNA, 5S RIBOSOMAL RNA, ... | Authors: | Greber, B.J, Boehringer, D, Montellese, C, Ban, N. | Deposit date: | 2012-08-07 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8.1 Å) | Cite: | Cryo-Em Structures of Arx1 and Maturation Factors Rei1 and Jjj1 Bound to the 60S Ribosomal Subunit Nat.Struct.Mol.Biol., 19, 2012
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4W5A
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![BU of 4w5a by Molmil](/molmil-images/mine/4w5a) | Complex structure of ATRX ADD bound to H3K9me3S10ph peptide | Descriptor: | Peptide from Histone H3.3, Transcriptional regulator ATRX, ZINC ION | Authors: | Zhao, D, Xiang, B, Li, H. | Deposit date: | 2014-08-17 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | ATRX tolerates activity-dependent histone H3 methyl/phos switching to maintain repetitive element silencing in neurons Proc.Natl.Acad.Sci.USA, 112, 2015
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4WCE
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![BU of 4wce by Molmil](/molmil-images/mine/4wce) | The crystal structure of the large ribosomal subunit of Staphylococcus aureus | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 23S rRNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Eyal, Z, Matzov, D, Krupkin, M, Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A. | Deposit date: | 2014-09-04 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.526 Å) | Cite: | Structural insights into species-specific features of the ribosome from the pathogen Staphylococcus aureus. Proc.Natl.Acad.Sci.USA, 112, 2015
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4V0U
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![BU of 4v0u by Molmil](/molmil-images/mine/4v0u) | The crystal structure of ternary PP1G-PPP1R15B and G-actin complex | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J. | Deposit date: | 2014-09-18 | Release date: | 2015-03-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (7.88 Å) | Cite: | G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases. Elife, 4, 2015
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4UWG
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![BU of 4uwg by Molmil](/molmil-images/mine/4uwg) | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | Descriptor: | (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | Deposit date: | 2014-08-12 | Release date: | 2014-11-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
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4V3B
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![BU of 4v3b by Molmil](/molmil-images/mine/4v3b) | The structure of alpha2,3-sialyltransferase variant 1 from Pasteurella dagmatis in complex with the donor product CMP | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, SIALYLTRANSFERASE | Authors: | Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K. | Deposit date: | 2014-10-17 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign Chem.Commun.(Camb.), 51, 2015
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