7ZV1
 
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7ZTW
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8A2G
 | | Crystal structure of Sebokelevirus 2A2 protein | | Descriptor: | 1,2-ETHANEDIOL, 2A2 protein, TETRAETHYLENE GLYCOL | | Authors: | Zhu, L, Von Castelmur, E, Whang, X, Ren, J, Fry, E, Perrakis, A, Stuart, D.I. | | Deposit date: | 2022-06-03 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural plasticity of 2A proteins in the Parechovirus family
to be published
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5O91
 | | Crystal structure of human Mps1 (TTK) C604W mutant in complex with Cpd-5 | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein kinase TTK, ~{N}-(2,6-diethylphenyl)-8-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide | | Authors: | Hiruma, Y, Joosten, R.P, Perrakis, A. | | Deposit date: | 2017-06-15 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Understanding inhibitor resistance in Mps1 kinase through novel biophysical assays and structures.
J. Biol. Chem., 292, 2017
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8FTT
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6YVP
 | | Human histidine triad nucleotide-binding protein 2 (hHINT2) complexed with dGMP and refined to 2.77 A | | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, Histidine triad nucleotide-binding protein 2, mitochondrial | | Authors: | Dolot, R.D, Krakowiak, A, Nawrot, B.C. | | Deposit date: | 2020-04-28 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A.
Biochim Biophys Acta Gen Subj, 1865, 2021
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5NTT
 | | Crystal structure of human Mps1 (TTK) C604Y mutant in complex with NMS-P715 | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein kinase TTK, N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE | | Authors: | Hiruma, Y, Joosten, R.P, Perrakis, A. | | Deposit date: | 2017-04-28 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Understanding inhibitor resistance in Mps1 kinase through novel biophysical assays and structures.
J. Biol. Chem., 292, 2017
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8Q5N
 | | Apo form of restriction endonuclease NhoI. | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Restriction endonuclease (NhoI) | | Authors: | Rafalski, D, Krakowska, A, Bochtler, M. | | Deposit date: | 2023-08-09 | | Release date: | 2024-07-17 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural analysis of the BisI family of modification dependent restriction endonucleases.
Nucleic Acids Res., 52, 2024
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5M0E
 | | Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors | | Descriptor: | 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | Authors: | Keune, W.-J, Heidebrecht, T, Perrakis, A. | | Deposit date: | 2016-10-04 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
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7A5U
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8DK6
 | | Structure of hepatitis C virus envelope N-terminal truncated glycoprotein 2 (E2) (residues 456-713) from J6 genotype | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A12 Fab Heavy chain, 2A12 Fab light chain, ... | | Authors: | Kumar, A, Rohe, T, Elrod, E.J, Khan, A.G, Dearborn, A.D, Kissinger, R, Grakoui, A, Marcotrigiano, J. | | Deposit date: | 2022-07-03 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Regions of hepatitis C virus E2 required for membrane association.
Nat Commun, 14, 2023
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5JFQ
 | | Geranylgeranyl Pyrophosphate Synthetase from archaeon Geoglobus acetivorans | | Descriptor: | Geranylgeranyl Pyrophosphate Synthetase | | Authors: | Petrova, T, Boyko, K.M, Nikolaeva, A.Y, Stekhanova, T.N, Mardanov, A.V, Rakitin, A.L, Ravin, N.V, Popov, V.O. | | Deposit date: | 2016-04-19 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structural characterization of geranylgeranyl pyrophosphate synthase GACE1337 from the hyperthermophilic archaeon Geoglobus acetivorans.
Extremophiles, 22, 2018
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7A74
 | | Structure of G132N BlaC from Mycobacterium tuberculosis | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, GLYCEROL, ... | | Authors: | Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M. | | Deposit date: | 2020-08-27 | | Release date: | 2021-05-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Two beta-Lactamase Variants with Reduced Clavulanic Acid Inhibition Display Different Millisecond Dynamics.
Antimicrob.Agents Chemother., 65, 2021
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5MRB
 | | Crystal structure of human Mps1 (TTK) in complex with Cpd-5 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Dual specificity protein kinase TTK, ... | | Authors: | Hiruma, Y, Joosten, R.P, Perrakis, A. | | Deposit date: | 2016-12-22 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Understanding inhibitor resistance in Mps1 kinase through novel biophysical assays and structures.
J. Biol. Chem., 292, 2017
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7Z3K
 | | Autotaxin in complex with orthosteric site-binder CpdA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, CALCIUM ION, ... | | Authors: | Salgado-Polo, F, Ford, P, Heckmann, B, Perrakis, A. | | Deposit date: | 2022-03-02 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Autotaxin facilitates selective LPA receptor signaling.
Cell Chem Biol, 30, 2023
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5M0M
 | | Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors | | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | Authors: | Keune, W.-J, Heidebrecht, T, Perrakis, A. | | Deposit date: | 2016-10-05 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
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5M0S
 | | Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors | | Descriptor: | CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, GLYCEROL, ... | | Authors: | Keune, W.-J, Heidebrecht, T, Perrakis, A. | | Deposit date: | 2016-10-05 | | Release date: | 2017-08-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
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5M0D
 | | Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors | | Descriptor: | CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2,Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, GLYCEROL, ... | | Authors: | Keune, W.-J, Heidebrecht, T, Perrakis, A. | | Deposit date: | 2016-10-04 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.
J. Med. Chem., 60, 2017
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5LQQ
 | | Structure of Autotaxin (ENPP2) with LM350 | | Descriptor: | 3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | Authors: | Keune, W.J, Heidebrecht, T, Castelmur, E, Joosten, R.P, Perrakis, A. | | Deposit date: | 2016-08-17 | | Release date: | 2016-12-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Activity Relationships of Small Molecule Autotaxin Inhibitors with a Discrete Binding Mode.
J. Med. Chem., 60, 2017
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3O1Z
 | | High resolution crystal structure of histidine triad nucleotide-binding protein 1 (Hint1) double cysteine mutant from rabbit | | Descriptor: | Histidine triad nucleotide-binding protein 1 | | Authors: | Dolot, R.M, Ozga, M, Krakowiak, A.K, Nawrot, B, Stec, W.J. | | Deposit date: | 2010-07-22 | | Release date: | 2010-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Histidine Triad Nucleotide-binding Protein 1 (HINT-1) Phosphoramidase Transforms Nucleoside 5'-O-Phosphorothioates to Nucleoside 5'-O-Phosphates.
J.Biol.Chem., 285, 2010
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7RCB
 | | Crystal Structure of a PMS2 VUS | | Descriptor: | Mismatch repair endonuclease PMS2 | | Authors: | D'Arcy, B.M, Prakash, A. | | Deposit date: | 2021-07-07 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | PMS2 variant results in loss of ATPase activity without compromising mismatch repair.
Mol Genet Genomic Med, 10, 2022
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7A72
 | | Structure of G132S BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of sulbactam | | Descriptor: | ACETATE ION, Beta-lactamase, GLYCEROL, ... | | Authors: | Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M. | | Deposit date: | 2020-08-27 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The G132S Mutation Enhances the Resistance of Mycobacterium tuberculosis beta-Lactamase against Sulbactam.
Biochemistry, 60, 2021
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7A5W
 | | Structure of D172N BlaC from Mycobacterium tuberculosis | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase | | Authors: | Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M. | | Deposit date: | 2020-08-24 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The G132S Mutation Enhances the Resistance of Mycobacterium tuberculosis beta-Lactamase against Sulbactam.
Biochemistry, 60, 2021
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7A6Z
 | | Structure of P226G BlaC from Mycobacterium tuberculosis | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, GLYCEROL, ... | | Authors: | Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M. | | Deposit date: | 2020-08-27 | | Release date: | 2021-10-06 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Conserved proline residues prevent dimerization and aggregation in the beta-lactamase BlaC.
Protein Sci., 33, 2024
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7Z5H
 | | human Zn MATCAP | | Descriptor: | Uncharacterized protein KIAA0895-like, ZINC ION | | Authors: | Bak, J, Adamopoulos, A, Heidebrecht, T, Perrakis, A. | | Deposit date: | 2022-03-09 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Posttranslational modification of microtubules by the MATCAP detyrosinase.
Science, 376, 2022
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