7A5T
 
 | | Crystal structure of A55E mutant of BlaC from Mycobacterium tuberculosis | | Descriptor: | Beta-lactamase, GLYCEROL, PHOSPHATE ION | | Authors: | Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M. | | Deposit date: | 2020-08-21 | | 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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7A71
 | | Structure of G132S BlaC from Mycobacterium tuberculosis | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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 (1.4 Å) | | Cite: | The G132S Mutation Enhances the Resistance of Mycobacterium tuberculosis beta-Lactamase against Sulbactam.
Biochemistry, 60, 2021
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7P0K
 | | Crystal structure of Autotaxin (ENPP2) with 18F-labeled positron emission tomography ligand | | Descriptor: | 2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Salgado-Polo, F, Shao, T, Xiao, Z, Van, R, Chen, J, Rong, J, Haider, A, Shao, Y, Josephson, L, Perrakis, A, Liang, S.H. | | Deposit date: | 2021-06-29 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Imaging Autotaxin In Vivo with 18 F-Labeled Positron Emission Tomography Ligands
J Med Chem, 64, 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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4ZKL
 | | Crystal structure of human histidine triad nucleotide-binding protein 1 (hHINT1) complexed with JB419 (AP4A analog) | | Descriptor: | (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[2-[[(2S)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-sulfanyl-phosphoryl]oxyethyl]oxolane-3,4-diol, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | | Authors: | Dolot, R.M, Kaczmarek, R, Seda, A, Krakowiak, A, Baraniak, J, Nawrot, B. | | Deposit date: | 2015-04-30 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystallographic studies of the complex of human HINT1 protein with a non-hydrolyzable analog of Ap4A.
Int.J.Biol.Macromol., 87, 2016
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7Z5G
 | | human apo MATCAP | | Descriptor: | Uncharacterized protein KIAA0895-like | | Authors: | Bak, J, Adamoupolos, A, Heidebrecht, T, Perrakis, A. | | Deposit date: | 2022-03-09 | | Release date: | 2022-05-11 | | Last modified: | 2022-06-01 | | Method: | X-RAY DIFFRACTION (2.113 Å) | | Cite: | Posttranslational modification of microtubules by the MATCAP detyrosinase.
Science, 376, 2022
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8FTT
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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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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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2W8F
 | | Aplysia californica AChBP bound to in silico compound 31 | | Descriptor: | (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Edink, E, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, de Esch, I.J. | | Deposit date: | 2009-01-16 | | Release date: | 2009-04-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X- Ray Analysis.
J.Med.Chem., 52, 2009
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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: | 2024-01-17 | | 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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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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4OAV
 | | Complete human RNase L in complex with 2-5A (5'-ppp heptamer), AMPPCP and RNA substrate. | | Descriptor: | (2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-({[(S)-hydroxy{[(2R,3S,4S)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}phosphoryl]oxy}methyl)tetrahydrofuran-3-yl dihydrogen phosphate, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Han, Y, Donovan, J, Rath, S, Whitney, G, Chitrakar, A, Korennykh, A. | | Deposit date: | 2014-01-06 | | Release date: | 2014-03-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of human RNase L reveals the basis for regulated RNA decay in the IFN response.
Science, 343, 2014
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7ZW4
 | | Crystal structure of Talin R7R8 domains with Caskin-2 LD-peptide | | Descriptor: | Caskin-2, Talin-1 | | Authors: | Celie, P.H.N, Joosten, R.P, Sonnenberg, A, Perrakis, A. | | Deposit date: | 2022-05-18 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Caskin2 is a novel talin- and Abi1-binding protein that promotes cell motility.
J.Cell.Sci., 137, 2024
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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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1V1I
 | | Adenovirus fibre shaft sequence N-terminally fused to the bacteriophage T4 fibritin foldon trimerisation motif with a long linker | | Descriptor: | FIBRITIN, FIBER PROTEIN | | Authors: | Papanikolopoulou, K, Teixeira, S, Belrhali, H, Forsyth, V.T, Mitraki, A, van Raaij, M.J. | | Deposit date: | 2004-04-16 | | Release date: | 2004-07-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Adenovirus Fibre Shaft Sequences Fold Into the Native Triple Beta-Spiral Fold When N-Terminally Fused to the Bacteriophage T4 Fibritin Foldon Trimerisation Motif
J.Mol.Biol., 342, 2004
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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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1V1H
 | | Adenovirus fibre shaft sequence N-terminally fused to the bacteriophage T4 fibritin foldon trimerisation motif with a short linker | | Descriptor: | FIBRITIN, FIBER PROTEIN | | Authors: | Papanikolopoulou, K, Teixeira, S, Belrhali, H, Forsyth, V.T, Mitraki, A, van Raaij, M.J. | | Deposit date: | 2004-04-16 | | Release date: | 2004-07-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Adenovirus Fibre Shaft Sequences Fold Into the Native Triple Beta-Spiral Fold When N-Terminally Fused to the Bacteriophage T4 Fibritin Foldon Trimerisation Motif
J.Mol.Biol., 342, 2004
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6FPV
 | | A llama-derived JBP1-targeting nanobody | | Descriptor: | GLYCEROL, Nanobody | | Authors: | van Beusekom, B, Adamopoulos, A, Heidebrecht, T, Joosten, R.P, Perrakis, A. | | Deposit date: | 2018-02-12 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Characterization and structure determination of a llama-derived nanobody targeting the J-base binding protein 1.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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4OAU
 | | Complete human RNase L in complex with biological activators. | | Descriptor: | 2-5A-dependent ribonuclease, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Han, Y, Donovan, J, Rath, S, Whitney, G, Chitrakar, A, Korennykh, A. | | Deposit date: | 2014-01-06 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of human RNase L reveals the basis for regulated RNA decay in the IFN response.
Science, 343, 2014
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5LJJ
 | | Crystal structure of human Mps1 (TTK) in complex with Reversine | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein kinase TTK, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine | | Authors: | Hiruma, Y, Joosten, R.P, Perrakis, A. | | Deposit date: | 2016-07-18 | | Release date: | 2016-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis of reversine selectivity in inhibiting Mps1 more potently than aurora B kinase.
Proteins, 84, 2016
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2W8G
 | | Aplysia californica AChBP bound to in silico compound 35 | | Descriptor: | (3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Edink, E, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, de Esch, I.J. | | Deposit date: | 2009-01-16 | | Release date: | 2009-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X- Ray Analysis.
J.Med.Chem., 52, 2009
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4PG9
 | | MHC Class I in complex with Sendai virus nucleoprotein peptide FAPGNYPAL | | Descriptor: | Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ... | | Authors: | Celie, P, Joosten, R.P, Perrakis, A, Neefjes, J. | | Deposit date: | 2014-05-01 | | Release date: | 2015-01-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The first step of peptide selection in antigen presentation by MHC class I molecules.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4PGE
 | | MHC Class I in complex with modified Sendai virus nucleoprotein peptide FAPGNYPAW | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Celie, P, Joosten, R.P, Perrakis, A, Neefjes, J. | | Deposit date: | 2014-05-01 | | Release date: | 2015-01-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The first step of peptide selection in antigen presentation by MHC class I molecules.
Proc.Natl.Acad.Sci.USA, 112, 2015
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