4URW
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![BU of 4urw by Molmil](/molmil-images/mine/4urw) | The crystal structure of H-Ras and SOS in complex with ligands | Descriptor: | 2-(2,6-DIMETHYLPHENYL)-4-(METHYLSULFANYL)-6-(PIPERAZIN-1-YL)-1,3,5-TRIAZINE, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | Authors: | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | Deposit date: | 2014-07-02 | Release date: | 2015-03-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation. J.Med.Chem., 58, 2015
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4UW1
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![BU of 4uw1 by Molmil](/molmil-images/mine/4uw1) | X-ray crystal structure of human TNKS in complex with a small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, 3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2H)-one, GLYCEROL, ... | Authors: | Oliver, A.W, Rajasekaran, M.B, Pearl, L.H. | Deposit date: | 2014-08-08 | Release date: | 2015-07-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Design and Discovery of 3-Aryl-5-Substituted-Isoquinolin-1-Ones as Potent and Selective Tankyrase Inhibitors Medchemcommm, 6, 2015
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6J04
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6QBA
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![BU of 6qba by Molmil](/molmil-images/mine/6qba) | Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand A1120 and engineered binding scaffold | Descriptor: | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Mlynek, G, Brey, C.U, Djinovic-Carugo, K, Puehringer, D. | Deposit date: | 2018-12-20 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A conformation-specific ON-switch for controlling CAR T cells with an orally available drug. Proc.Natl.Acad.Sci.USA, 117, 2020
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6PLB
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![BU of 6plb by Molmil](/molmil-images/mine/6plb) | Adducts formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimida zol-2-ylidene)(eta5-pentamethylcyclopentadienyl)iridium(III) with HEWL | Descriptor: | 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole, Lysozyme, SODIUM ION | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | Deposit date: | 2019-06-30 | Release date: | 2020-11-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Probing the Paradigm of Promiscuity for N-Heterocyclic Carbene Complexes and their Protein Adduct Formation. Angew.Chem.Int.Ed.Engl., 2021
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7T0O
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7T0R
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![BU of 7t0r by Molmil](/molmil-images/mine/7t0r) | Crystal structure of the anti-CD4 adnectin 6940_B01 as a complex with the extracellular domains of CD4 and ibalizumab fAb | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Adnectin 6940_B01, Ibalizumab Heavy Chain, ... | Authors: | Williams, S.P, Concha, N.O, Wensel, D.L, Hong, X. | Deposit date: | 2021-11-30 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment. J.Mol.Biol., 434, 2021
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1SHX
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![BU of 1shx by Molmil](/molmil-images/mine/1shx) | Ephrin A5 ligand structure | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin-A5 | Authors: | Himanen, J.P, Barton, W.A, Nikolov, D.B, Jeffrey, P.D. | Deposit date: | 2004-02-26 | Release date: | 2005-04-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Three distinct molecular surfaces in ephrin-A5 are essential for a functional interaction with EphA3. J.Biol.Chem., 280, 2005
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8I54
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![BU of 8i54 by Molmil](/molmil-images/mine/8i54) | Lb2Cas12a RNA DNA complex | Descriptor: | DNA (25-MER), DNA (5'-D(*AP*GP*TP*GP*CP*TP*TP*TP*A)-3'), Lb2Cas12a, ... | Authors: | Li, J, Sivaraman, J, Satoru, M. | Deposit date: | 2023-01-24 | Release date: | 2023-02-22 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3.95 Å) | Cite: | Structures of apo Cas12a and its complex with crRNA and DNA reveal the dynamics of ternary complex formation and target DNA cleavage. Plos Biol., 21, 2023
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4RDR
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4RDT
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![BU of 4rdt by Molmil](/molmil-images/mine/4rdt) | Structure of the bacterial Zn-transporter ZnuD from Neisseria meningitidis (flexible conformation bound to a zinc ion) | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, GLYCEROL, SULFATE ION, ... | Authors: | Calmettes, C, El Bakkouri, M, Moraes, T.F. | Deposit date: | 2014-09-19 | Release date: | 2015-08-19 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The molecular mechanism of Zinc acquisition by the neisserial outer-membrane transporter ZnuD. Nat Commun, 6, 2015
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4RVW
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6J2A
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![BU of 6j2a by Molmil](/molmil-images/mine/6j2a) | The structure of HLA-A*3003/NP44 | Descriptor: | Beta-2-microglobulin, HLA-A*3003, NP44 | Authors: | Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, F.G, Lou, Y.L, Liu, W.J. | Deposit date: | 2018-12-31 | Release date: | 2019-09-25 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides. Front Immunol, 10, 2019
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6J1W
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![BU of 6j1w by Molmil](/molmil-images/mine/6j1w) | The structure of HLA-A*3001/RT313 | Descriptor: | ALA-ILE-PHE-GLN-SER-SER-MET-THR-LYS, Beta-2-microglobulin, HLA-A*3001 | Authors: | Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, G.F, Lou, Y.L, Liu, W.J. | Deposit date: | 2018-12-29 | Release date: | 2019-09-25 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides. Front Immunol, 10, 2019
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4QH3
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6J29
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![BU of 6j29 by Molmil](/molmil-images/mine/6j29) | The structure of HLA-A*3003/MTB | Descriptor: | Beta-2-microglobulin, HLA-A*3003, MTB | Authors: | Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, F.G, Lou, Y.L, Liu, W.J. | Deposit date: | 2018-12-31 | Release date: | 2019-09-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides. Front Immunol, 10, 2019
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4QGZ
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6J1V
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![BU of 6j1v by Molmil](/molmil-images/mine/6j1v) | The structure of HLA-A*3003/RT313 | Descriptor: | Beta-2-microglobulin, HLA-A*3003, RT313 | Authors: | Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, G.F, Lou, Y.L, Liu, W.J. | Deposit date: | 2018-12-29 | Release date: | 2019-09-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides. Front Immunol, 10, 2019
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2HSG
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![BU of 2hsg by Molmil](/molmil-images/mine/2hsg) | |
2HH0
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![BU of 2hh0 by Molmil](/molmil-images/mine/2hh0) | |
4PVZ
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![BU of 4pvz by Molmil](/molmil-images/mine/4pvz) | Structure of yeast importin a bound to the membrane protein Nuclear Localization Signal sequence of INM protein Heh2 | Descriptor: | Importin subunit alpha, Inner nuclear membrane protein HEH2 | Authors: | Lokareddy, R.K, Hapsari, A.R, van Rheenen, M, Bhardwaj, A, Veenhoff, L.M, Cingolani, C. | Deposit date: | 2014-03-18 | Release date: | 2015-08-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Distinctive Properties of the Nuclear Localization Signals of Inner Nuclear Membrane Proteins Heh1 and Heh2. Structure, 23, 2015
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6JBX
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![BU of 6jbx by Molmil](/molmil-images/mine/6jbx) | Crystal structure of Streptococcus pneumoniae FabT in complex with DNA | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*GP*TP*TP*TP*GP*AP*CP*TP*GP*TP*CP*AP*AP*AP*TP*TP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*AP*AP*TP*TP*TP*GP*AP*CP*AP*GP*TP*CP*AP*AP*AP*CP*TP*AP*TP*T)-3'), Fatty acid biosynthesis transcriptional regulator, ... | Authors: | Zuo, G, Chen, Z.P, Li, Q, Zhou, C.Z. | Deposit date: | 2019-01-27 | Release date: | 2019-07-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into repression of the Pneumococcal fatty acid synthesis pathway by repressor FabT and co-repressor acyl-ACP. Febs Lett., 593, 2019
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5CJ2
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![BU of 5cj2 by Molmil](/molmil-images/mine/5cj2) | Ran GDP Y39A mutant triclinic crystal form | Descriptor: | GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Vetter, I.R, Brucker, S. | Deposit date: | 2015-07-13 | Release date: | 2015-09-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy. J.Biol.Chem., 290, 2015
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5CLQ
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![BU of 5clq by Molmil](/molmil-images/mine/5clq) | Ran Y39A in complex with GPPNHP and RanBD1 | Descriptor: | E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, MAGNESIUM ION, ... | Authors: | Vetter, I.R, Brucker, S. | Deposit date: | 2015-07-16 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy. J.Biol.Chem., 290, 2015
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5CLL
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![BU of 5cll by Molmil](/molmil-images/mine/5cll) | Truncated Ran wild type in complex with GDP-BeF and RanBD1 | Descriptor: | BERYLLIUM TRIFLUORIDE ION, E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, ... | Authors: | Vetter, I.R, Brucker, S. | Deposit date: | 2015-07-16 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy. J.Biol.Chem., 290, 2015
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