5HF7
 
 | | TDG enzyme-substrate complex | | Descriptor: | DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase | | Authors: | Pozharski, E, Malik, S.S, Drohat, A.C. | | Deposit date: | 2016-01-06 | | Release date: | 2016-09-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural basis of damage recognition by thymine DNA glycosylase: Key roles for N-terminal residues.
Nucleic Acids Res., 44, 2016
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5H9Q
 | | Crystal Structure of Human Galectin-7 in Complex with TD139 | | Descriptor: | 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, Galectin-7 | | Authors: | Hsieh, T.J, Lin, H.Y, Lin, C.H. | | Deposit date: | 2015-12-29 | | Release date: | 2016-06-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.931 Å) | | Cite: | Dual thio-digalactoside-binding modes of human galectins as the structural basis for the design of potent and selective inhibitors
Sci Rep, 6, 2016
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5HM7
 | | The Intracellular domain of Butyrophilin 3A1 protein | | Descriptor: | BETA-MERCAPTOETHANOL, Butyrophilin subfamily 3 member A1, GLYCEROL, ... | | Authors: | Adams, E.J, Gu, S. | | Deposit date: | 2016-01-15 | | Release date: | 2017-07-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Phosphoantigen-induced conformational change of butyrophilin 3A1 (BTN3A1) and its implication on V gamma 9V delta 2 T cell activation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5DUN
 | | The crystal structure of OMe substituted twister ribozyme | | Descriptor: | MAGNESIUM ION, POTASSIUM ION, RNA (54-MER) | | Authors: | Ren, A, Patel, D.J, Micura, R, Rajashankar, K.R. | | Deposit date: | 2015-09-19 | | Release date: | 2015-10-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | A Mini-Twister Variant and Impact of Residues/Cations on the Phosphodiester Cleavage of this Ribozyme Class.
Angew.Chem.Int.Ed.Engl., 54, 2015
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5HF3
 | | Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma | | Descriptor: | 14-3-3 protein sigma, modified Tau peptide | | Authors: | Bartel, M, Milroy, L.G, Brunsveld, L, Ottmann, C. | | Deposit date: | 2016-01-06 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Stabilizer-Guided Inhibition of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 54, 2015
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5HBQ
 | | C63D mutant of the rhodanese domain of YgaP | | Descriptor: | CHLORIDE ION, Inner membrane protein YgaP, SODIUM ION | | Authors: | Eichmann, C, Tzitzilonis, C, Nakamura, T, Kwiatkowski, W, Maslennikov, I, Choe, S, Lipton, S.A, Riek, R. | | Deposit date: | 2016-01-02 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | S-Nitrosylation Induces Structural and Dynamical Changes in a Rhodanese Family Protein.
J.Mol.Biol., 428, 2016
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5FEW
 | | HydE from T. maritima in complex with S-adenosyl-L-cysteine (final product) | | Descriptor: | (2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ... | | Authors: | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | | Deposit date: | 2015-12-17 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
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5FF3
 | | HydE from T. maritima in complex with 4R-TCA | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | | Deposit date: | 2015-12-17 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
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5FHJ
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5FHV
 | | Crystal structure of mCherry after reaction with 2-mercaptoethanol | | Descriptor: | BETA-MERCAPTOETHANOL, HEXAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ... | | Authors: | De Zitter, E, Dedecker, P, Van Meervelt, L. | | Deposit date: | 2015-12-22 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Efficient switching of mCherry fluorescence using chemical caging.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5F8W
 | | Crystal structure of a Crenomytilus grayanus lectin in complex with galactose | | Descriptor: | GLYCEROL, GalNAc/Gal-specific lectin, alpha-D-galactopyranose, ... | | Authors: | Liao, J.-H, Huang, K.-F, Tu, I.-F, Lee, I.-M, Wu, S.-H. | | Deposit date: | 2015-12-09 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | A Multivalent Marine Lectin from Crenomytilus grayanus Possesses Anti-cancer Activity through Recognizing Globotriose Gb3
J.Am.Chem.Soc., 138, 2016
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5FRF
 | | Solution structure of reduced and zinc-bound RsrA | | Descriptor: | ANTI-SIGMA FACTOR RSRA, ZINC ION | | Authors: | Zdanowski, K, Pecqueur, L, Werner, J, Potts, J.R, Kleanthous, C. | | Deposit date: | 2015-12-17 | | Release date: | 2016-08-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The Anti-Sigma Factor Rsra Responds to Oxidative Stress by Reburying its Hydrophobic Core.
Nat.Commun., 7, 2016
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5FF0
 | | HydE from T. maritima in complex with S-adenosyl-L-cysteine and methionine | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, Fe4-Se4 cluster, ... | | Authors: | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | | Deposit date: | 2015-12-17 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
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5HS9
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5H9R
 | | Crystal Structure of Human Galectin-3 CRD in Complex with TAZTDG | | Descriptor: | (2~{S},3~{R},4~{S},5~{R},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, Galectin-3 | | Authors: | Hsieh, T.J, Lin, H.Y, Lin, C.H. | | Deposit date: | 2015-12-29 | | Release date: | 2016-06-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Dual thio-digalactoside-binding modes of human galectins as the structural basis for the design of potent and selective inhibitors
Sci Rep, 6, 2016
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5HR0
 | | Crystal structure of thioredoxin E101G mutant | | Descriptor: | COPPER (II) ION, Thioredoxin | | Authors: | Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | | Deposit date: | 2016-01-22 | | Release date: | 2017-02-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017
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5HOL
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5HBO
 | | Native rhodanese domain of YgaP prepared without DDT is both S-nitrosylated and S-sulfhydrated | | Descriptor: | Inner membrane protein YgaP | | Authors: | Eichmann, C, Tzitzilonis, C, Nakamura, T, Kwiatkowski, W, Maslennikov, I, Choe, S, Lipton, S.A, Riek, R. | | Deposit date: | 2016-01-01 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | S-Nitrosylation Induces Structural and Dynamical Changes in a Rhodanese Family Protein.
J.Mol.Biol., 428, 2016
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5HR1
 | | Crystal structure of thioredoxin L107A mutant | | Descriptor: | COPPER (II) ION, Thioredoxin-1 | | Authors: | Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | | Deposit date: | 2016-01-22 | | Release date: | 2017-02-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.144 Å) | | Cite: | Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017
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5H9P
 | | Crystal Structure of Human Galectin-3 CRD in Complex with TD139 | | Descriptor: | 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, Galectin-3 | | Authors: | Hsieh, T.J, Lin, H.Y, Lin, C.H. | | Deposit date: | 2015-12-29 | | Release date: | 2016-06-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Dual thio-digalactoside-binding modes of human galectins as the structural basis for the design of potent and selective inhibitors
Sci Rep, 6, 2016
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1DTD
 | | CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN THE LEECH CARBOXYPEPTIDASE INHIBITOR AND THE HUMAN CARBOXYPEPTIDASE A2 (LCI-CPA2) | | Descriptor: | CARBOXYPEPTIDASE A2, GLUTAMIC ACID, METALLOCARBOXYPEPTIDASE INHIBITOR, ... | | Authors: | Reverter, D, Fernandez-Catalan, C, Bode, W, Holak, T.A, Aviles, F.X. | | Deposit date: | 2000-01-12 | | Release date: | 2000-07-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure of a novel leech carboxypeptidase inhibitor determined free in solution and in complex with human carboxypeptidase A2.
Nat.Struct.Biol., 7, 2000
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1D89
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1EB2
 | | Trypsin inhibitor complex (BPO) | | Descriptor: | 3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPERIDINYL)-2-OXO-1-PHENYLETHYL]BENZAMIDE, CALCIUM ION, SULFATE ION, ... | | Authors: | Wilkinson, K.W, Young, S.C, Liebeschuetz, J.W, Brady, R.L. | | Deposit date: | 2001-07-18 | | Release date: | 2002-02-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pro_Select: Combining Structure-Based Drug Design and Array-Based Chemistry for Rapid Lead Discovery. 2. The Development of a Series of Highly Potent and Selective Factor Xa Inhibitors
J.Med.Chem., 45, 2002
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1ESR
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1E6G
 | | A-SPECTRIN SH3 DOMAIN A11V, V23L, M25I, V53I, V58L MUTANT | | Descriptor: | SPECTRIN ALPHA CHAIN, SULFATE ION | | Authors: | Vega, M.C, Serrano, L. | | Deposit date: | 2000-08-15 | | Release date: | 2002-05-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conformational Strain in the Hydrophobic Core and its Implications for Protein Folding and Design
Nat.Struct.Biol., 9, 2002
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