8AII
| High Resolution Crystal Structure of Enterococcus faecium Nicotinate Nucleotide Adenylyltransferase Complexed with Adenine | Descriptor: | ADENINE, MAGNESIUM ION, Probable nicotinate-nucleotide adenylyltransferase, ... | Authors: | Pandian, R, Jeje, O.A, Sayed, Y, Achilonu, I.A. | Deposit date: | 2022-07-26 | Release date: | 2023-08-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Obtaining high yield recombinant Enterococcus faecium nicotinate nucleotide adenylyltransferase for X-ray crystallography and biophysical studies. Int.J.Biol.Macromol., 250, 2023
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4RIH
| Chimeric Glycosyltransferase LanGT2S8Ac, carbasugar substrate complex | Descriptor: | 2'-deoxy-5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine, Glycosyl transferase homolog,Glycosyl transferase, MAGNESIUM ION | Authors: | Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O. | Deposit date: | 2014-10-06 | Release date: | 2015-01-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2. Angew.Chem.Int.Ed.Engl., 54, 2015
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5G37
| MR structure of the binary mosquito larvicide BinAB at pH 5 | Descriptor: | 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN | Authors: | Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S. | Deposit date: | 2016-04-24 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure. Nature, 539, 2016
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5KW7
| T. danielli thaumatin at 278K, Data set 4 | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S. | Deposit date: | 2016-07-15 | Release date: | 2016-08-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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4RII
| Chimeric Glycosyltransferase LanGT2S8Ac, TDP complex | Descriptor: | Glycosyl transferase homolog,Glycosyl transferase, MAGNESIUM ION, THYMIDINE-5'-DIPHOSPHATE | Authors: | Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O. | Deposit date: | 2014-10-06 | Release date: | 2015-01-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2. Angew.Chem.Int.Ed.Engl., 54, 2015
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6UYF
| Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v1 redesigned core from genotype 6a bound to broadly neutralizing antibody AR3B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ... | Authors: | Tzarum, N, Wilson, I.A, Zhu, J. | Deposit date: | 2019-11-13 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines. Sci Adv, 6, 2020
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5G2Q
| The crystal structure of a S-selective transaminase from Arthrobacter sp. with alanine bound | Descriptor: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID, TRANSAMINASE | Authors: | van Oosterwijk, N, Willies, S, Hekelaar, J, Terwisscha van Scheltinga, A.C, Turner, N.J, Dijkstra, B.W. | Deposit date: | 2016-04-12 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of Substrate Range and Enantioselectivity of Two S-Selective Omega- Transaminases Biochemistry, 55, 2016
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8GAH
| CLC-ec1 L25C/A450C/C85A at pH 4.5 100mM Cl Twist | Descriptor: | CHLORIDE ION, H(+)/Cl(-) exchange transporter ClcA | Authors: | Fortea, E, Lee, S, Argyos, Y, Chadda, R, Ciftci, D, Huysmans, G, Robertson, J.L, Boudker, O, Accardi, A. | Deposit date: | 2023-02-22 | Release date: | 2024-02-07 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis of pH-dependent activation in a CLC transporter. Nat.Struct.Mol.Biol., 31, 2024
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8V15
| Human SIRT3 bound to p53-AMC peptide, Carba-NAD, and Honokiol | Descriptor: | (1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLN-PRO-LYS-FDL, ... | Authors: | Chakrabarti, R, Ghosh, A, Guan, X, Upadhyay, A, Dumpati, R.K, Munshi, S, Roy, S, Chall, S, Rahnamoun, A, Reverdy, C, Errasti, G, Delacroix, T. | Deposit date: | 2023-11-19 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion biorxiv, 2023
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6UZC
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8GA3
| CLC-ec1 R230C/L249C/C85A at pH 4.5 100mM Cl Turn | Descriptor: | CHLORIDE ION, H(+)/Cl(-) exchange transporter ClcA | Authors: | Fortea, E, Lee, S, Argyos, Y, Chadda, R, Ciftci, D, Huysmans, G, Robertson, J.L, Boudker, O, Accardi, A. | Deposit date: | 2023-02-22 | Release date: | 2024-02-07 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of pH-dependent activation in a CLC transporter. Nat.Struct.Mol.Biol., 31, 2024
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4Y50
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7RC8
| Solution NMR Structure of [D-Ala19]Crp4 | Descriptor: | Alpha-defensin 4 | Authors: | Conibear, A.C, Rosengren, K.J. | Deposit date: | 2021-07-07 | Release date: | 2021-08-11 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | A conserved beta-bulge glycine residue facilitates folding and increases stability of the mouse alpha-defensin cryptdin-4 Peptide Science, 114, 2022
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6ETR
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6B7A
| Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-methyl-1H-benzo[d]imidazol-4-ol | Descriptor: | 2-methyl-1H-benzimidazol-7-ol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Proudfoot, A.W, Bussiere, D, Lingel, A. | Deposit date: | 2017-10-03 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.991 Å) | Cite: | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc., 139, 2017
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4RJ1
| Structural variations and solvent structure of UGGGGU quadruplexes stabilized by Sr2+ ions | Descriptor: | CALCIUM ION, RNA (5'-R(*UP*GP*GP*GP*GP*U)-3'), SODIUM ION, ... | Authors: | Fyfe, A.C, Dunten, P.W, Scott, W.G. | Deposit date: | 2014-10-08 | Release date: | 2014-11-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | Structural Variations and Solvent Structure of r(UGGGGU) Quadruplexes Stabilized by Sr(2+) Ions. J.Mol.Biol., 427, 2015
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7R4W
| Single stranded DNA binding protein SSB M5 from Fervidobacterium gondwanense | Descriptor: | ACETIC ACID, PHOSPHATE ION, Single-stranded DNA-binding protein | Authors: | Hakansson, M, Svensson, L.A, Werbowy, O, Al-Karadaghi, S, Kaczorowski, T, Kaczorowska, A.K, Dorawa, S. | Deposit date: | 2022-02-09 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular characterization of a single stranded DNA binding protein from Fervidobacterium gondwanense To Be Published
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8ATR
| Small molecular stabilizer for C-RAF (pS259) and 14-3-3 (1075297) | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, CHLORIDE ION, ... | Authors: | Visser, E.J, Overmans, M.J.A.M, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2022-08-24 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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7QYG
| Structure of the transaminase TR2 | Descriptor: | Aminotransferase TR2 | Authors: | Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V. | Deposit date: | 2022-01-28 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions. Angew Chem Int Ed Engl, 61, 2022
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4Y5Q
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8ATS
| Small molecular stabilizer for C-RAF (pS259) and 14-3-3 (1075306) | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, CHLORIDE ION, ... | Authors: | Visser, E.J, Overmans, M.J.A.M, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2022-08-24 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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7R21
| elongated Cascade complex from type I-A CRISPR-Cas system | Descriptor: | Cas11a, Cas7a, CrRNA (62-MER), ... | Authors: | Hu, C, Ni, D, Nam, K.H, Stahlberg, H, Terns, M, Ke, A. | Deposit date: | 2022-02-04 | Release date: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural snapshots for an atypic type I CRISPR-Cas system To Be Published
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6B7U
| Structure of hen egg-white lysozyme without high-pressure pre-treatment | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Morais, M.A.B, Nascimento, A.F.Z, Tominaga, C.Y, Cristianini, M, Tribst, A.A.L, Murakami, M.T. | Deposit date: | 2017-10-05 | Release date: | 2018-07-25 | Method: | X-RAY DIFFRACTION (1.581 Å) | Cite: | How high pressure pre-treatments affect the function and structure of hen egg-white lysozyme Innov Food Sci Emerg Technol, 47, 2018
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5KMH
| Structure of CavAb in complex with Br-verapamil | Descriptor: | (2~{R})-2-(2-bromophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile, 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ... | Authors: | Tang, L, Gamal EL-Din, T.M, Swanson, T.M, Pryde, D.C, Scheuer, T, Zheng, N, Catterall, W.A. | Deposit date: | 2016-06-27 | Release date: | 2016-08-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs. Nature, 537, 2016
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6R5Y
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