6CVP
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![BU of 6cvp by Molmil](/molmil-images/mine/6cvp) | Human Aprataxin (Aptx) R199H bound to RNA-DNA, AMP and Zn product complex | Descriptor: | ADENOSINE MONOPHOSPHATE, Aprataxin, DNA (5'-D(*GP*AP*AP*TP*CP*AP*TP*AP*AP*C)-3'), ... | Authors: | Schellenberg, M.J, Williams, R.S, Tumbale, P.S. | Deposit date: | 2018-03-28 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease. EMBO J., 37, 2018
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6FVG
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![BU of 6fvg by Molmil](/molmil-images/mine/6fvg) | The Structure of CK2alpha with CCh507 bound | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate | Authors: | Brear, P, Prudent, R, Laudet, B, Filhol, O, Cochet, C, Sautel, C, Moucadel, V, Bestgen, B, Engel, M, Ettaoussi, M, Lomberget, T, Le Borgne, M, Kufareva, I, Abagyan, R, Hyvonen, M. | Deposit date: | 2018-03-02 | Release date: | 2019-06-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors. Sci Rep, 9, 2019
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6CDA
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![BU of 6cda by Molmil](/molmil-images/mine/6cda) | Crystal structure of L34A CzrA in the Zn(II)bound state | Descriptor: | ArsR family transcriptional regulator, CHLORIDE ION, GLYCEROL, ... | Authors: | Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P. | Deposit date: | 2018-02-08 | Release date: | 2018-07-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Functional Role of Solvent Entropy and Conformational Entropy of Metal Binding in a Dynamically Driven Allosteric System. J. Am. Chem. Soc., 140, 2018
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6CMP
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![BU of 6cmp by Molmil](/molmil-images/mine/6cmp) | Closed structure of inactive SHP2 mutant C459E | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D. | Deposit date: | 2018-03-06 | Release date: | 2018-11-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2. Nat Commun, 9, 2018
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6G0V
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![BU of 6g0v by Molmil](/molmil-images/mine/6g0v) | Human Galectin-3 in complex with a TF tumor-associated antigen mimetic | Descriptor: | (3~{R},5~{R},6~{S},7~{S},8~{R},13~{S})-5-(hydroxymethyl)-7-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-11-oxidanylidene-2,4-dioxa-9-thia-12-azatricyclo[8.4.0.0^{3,8}]tetradec-1(10)-ene-13-carboxylic acid, CHLORIDE ION, Galectin-3 | Authors: | Trovao, F.G, Santarsia, S, Carvalho, A.L. | Deposit date: | 2018-03-19 | Release date: | 2018-08-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Molecular Recognition of a Thomsen-Friedenreich Antigen Mimetic Targeting Human Galectin-3. ChemMedChem, 13, 2018
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6BGM
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![BU of 6bgm by Molmil](/molmil-images/mine/6bgm) | Crystal structure of ferrous form of the crosslinked human cysteine dioxygenase | Descriptor: | Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ... | Authors: | Liu, A, Li, J, Shin, I. | Deposit date: | 2017-10-28 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase. Nat. Chem. Biol., 14, 2018
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6BPX
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![BU of 6bpx by Molmil](/molmil-images/mine/6bpx) | Crystal structure of cysteine-bound ferrous form of the matured Cl2-Tyr157 human cysteine dioxygenase | Descriptor: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ... | Authors: | Liu, A, Li, J, Shin, I. | Deposit date: | 2017-11-26 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase. Nat. Chem. Biol., 14, 2018
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6CDX
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![BU of 6cdx by Molmil](/molmil-images/mine/6cdx) | High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5 beta-6 integrin | Descriptor: | cystine knot (fluoropropylated) | Authors: | Kimura, R, Nix, J, Bongura, C, Chakraborti, S, Gambhir, S, Filipp, F.V. | Deposit date: | 2018-02-09 | Release date: | 2019-08-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Evaluation of integrin alpha v beta6cystine knot PET tracers to detect cancer and idiopathic pulmonary fibrosis. Nat Commun, 10, 2019
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6FPX
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![BU of 6fpx by Molmil](/molmil-images/mine/6fpx) | Structure of S. pombe Mmi1 in complex with 11-mer RNA | Descriptor: | GLYCEROL, RNA (5'-R(P*UP*UP*UP*AP*AP*AP*CP*CP*UP*A)-3'), YTH domain-containing protein mmi1 | Authors: | Stowell, J.A.W, Hill, C.H, Yu, M, Wagstaff, J.L, McLaughlin, S.H, Freund, S.M.V, Passmore, L.A. | Deposit date: | 2018-02-12 | Release date: | 2018-05-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | A low-complexity region in the YTH domain protein Mmi1 enhances RNA binding. J. Biol. Chem., 293, 2018
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6FVF
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![BU of 6fvf by Molmil](/molmil-images/mine/6fvf) | The Structure of CK2alpha with CCh503 bound | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1~{H}-indole-3-carboxylate | Authors: | Brear, P, Prudent, R, Laudet, B, Filhol, O, Cochet, C, Sautel, C, Moucadel, V, Bestgen, B, Engel, M, Ettaoussi, M, Lomberget, T, Le Borgne, M, Kufareva, I, Abagyan, R, Hyvonen, M. | Deposit date: | 2018-03-02 | Release date: | 2019-06-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors. Sci Rep, 9, 2019
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6COR
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![BU of 6cor by Molmil](/molmil-images/mine/6cor) | CSP1-F11A | Descriptor: | Competence-stimulating peptide type 1 | Authors: | Yang, Y. | Deposit date: | 2018-03-12 | Release date: | 2018-08-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Characterization of Competence-Stimulating Peptide Analogues Reveals Key Features for ComD1 and ComD2 Receptor Binding in Streptococcus pneumoniae. Biochemistry, 57, 2018
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6CUI
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![BU of 6cui by Molmil](/molmil-images/mine/6cui) | |
6CNU
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![BU of 6cnu by Molmil](/molmil-images/mine/6cnu) | Crystal Structure of JzTX-V | Descriptor: | BROMIDE ION, GLYCEROL, JzTx-V, ... | Authors: | Min, X, Wang, Z. | Deposit date: | 2018-03-09 | Release date: | 2019-03-06 | Last modified: | 2020-03-04 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Discovery of Tarantula Venom-Derived NaV1.7-Inhibitory JzTx-V Peptide 5-Br-Trp24 Analogue AM-6120 with Systemic Block of Histamine-Induced Pruritis. J. Med. Chem., 61, 2018
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6FX4
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![BU of 6fx4 by Molmil](/molmil-images/mine/6fx4) | |
6GBS
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![BU of 6gbs by Molmil](/molmil-images/mine/6gbs) | Crystal Structure of the C. themophilum Scavenger Decapping Enzyme DcpS apo form | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Putative mRNA decapping protein | Authors: | Fuchs, A.-L, Neu, A, Sprangers, R. | Deposit date: | 2018-04-16 | Release date: | 2019-04-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.946 Å) | Cite: | Molecular basis of the selective processing of short mRNA substrates by the DcpS mRNA decapping enzyme. Proc.Natl.Acad.Sci.USA, 117, 2020
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6CVS
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![BU of 6cvs by Molmil](/molmil-images/mine/6cvs) | Human Aprataxin (Aptx) L248M bound to DNA, AMP and Zn product | Descriptor: | ADENOSINE MONOPHOSPHATE, Aprataxin, BETA-MERCAPTOETHANOL, ... | Authors: | Schellenberg, M.J, Tumbale, P.S, Williams, R.S. | Deposit date: | 2018-03-28 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease. EMBO J., 37, 2018
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6G47
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![BU of 6g47 by Molmil](/molmil-images/mine/6g47) | Crystal Structure of Human Adenovirus 52 Short Fiber Knob in Complex with alpha-(2,8)-Trisialic Acid (DP3) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Liaci, A.M, Stehle, T. | Deposit date: | 2018-03-26 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | Polysialic acid is a cellular receptor for human adenovirus 52. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6C17
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![BU of 6c17 by Molmil](/molmil-images/mine/6c17) | Crystal Structure of Ketosteroid Isomerase D40N mutant from Pseudomonas Putida (pKSI) bound to 3,4-dinitrophenol | Descriptor: | 3,4-dinitrophenol, MAGNESIUM ION, Steroid Delta-isomerase | Authors: | Yabukarski, F, Pinney, M, Herschlag, D. | Deposit date: | 2018-01-04 | Release date: | 2018-07-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural Coupling Throughout the Active Site Hydrogen Bond Networks of Ketosteroid Isomerase and Photoactive Yellow Protein. J. Am. Chem. Soc., 140, 2018
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6GC3
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![BU of 6gc3 by Molmil](/molmil-images/mine/6gc3) | |
6GGS
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![BU of 6ggs by Molmil](/molmil-images/mine/6ggs) | Structure of RIP2 CARD filament | Descriptor: | Receptor-interacting serine/threonine-protein kinase 2 | Authors: | Pellegrini, E, Cusack, S, Desfosses, A, Schoehn, G, Malet, H, Gutsche, I, Sachse, C, Hons, M. | Deposit date: | 2018-05-03 | Release date: | 2018-10-17 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.94 Å) | Cite: | RIP2 filament formation is required for NOD2 dependent NF-kappa B signalling. Nat Commun, 9, 2018
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6GFX
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![BU of 6gfx by Molmil](/molmil-images/mine/6gfx) | pVHL:EloB:EloC in complex with modified HIF-1a CODD peptide containing (3R,4S)-3-fluoro-4-hydroxyproline (ligand 13a) | Descriptor: | Elongin-B, Elongin-C, FLUORINATED HYPOXIA-INDUCIBLE FACTOR 1 ALPHA PEPTIDE, ... | Authors: | Castro, G.V, Testa, A, Ciulli, A. | Deposit date: | 2018-05-02 | Release date: | 2018-07-11 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | 3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation. J. Am. Chem. Soc., 140, 2018
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6GFZ
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![BU of 6gfz by Molmil](/molmil-images/mine/6gfz) | pVHL:EloB:EloC in complex with modified VH032 containing (3S,4S)-3-fluoro-4-hydroxyproline (ligand 14b) | Descriptor: | (2~{R},3~{S},4~{S})-1-[(2~{S})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Gadd, M.S, Testa, A, Ciulli, A. | Deposit date: | 2018-05-02 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation. J. Am. Chem. Soc., 140, 2018
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6GHQ
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![BU of 6ghq by Molmil](/molmil-images/mine/6ghq) | HtxB D206N protein variant from Pseudomonas stutzeri in a partially open conformation to 1.53 A resolution | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ... | Authors: | Bisson, C, Robertson, A.J, Hitchcock, A, Adams, N.B. | Deposit date: | 2018-05-08 | Release date: | 2019-05-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Phosphite binding by the HtxB periplasmic binding protein depends on the protonation state of the ligand. Sci Rep, 9, 2019
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6GKF
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![BU of 6gkf by Molmil](/molmil-images/mine/6gkf) | |
6GV9
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![BU of 6gv9 by Molmil](/molmil-images/mine/6gv9) | Structure of the type IV pilus from enterohemorrhagic Escherichia coli (EHEC) | Descriptor: | Prepilin peptidase-dependent protein D | Authors: | Bardiaux, B, Amorim, G.C, Luna-Rico, A, Zheng, W, Guilvout, I, Jollivet, C, Nilges, M, Egelman, E, Francetic, O, Izadi-Pruneyre, N. | Deposit date: | 2018-06-20 | Release date: | 2019-05-15 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (8 Å) | Cite: | Structure and Assembly of the Enterohemorrhagic Escherichia coli Type 4 Pilus. Structure, 27, 2019
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