6SYI
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3TNE
| The crystal structure of protease Sapp1p from Candida parapsilosis in complex with the HIV protease inhibitor ritonavir | Descriptor: | RITONAVIR, Secreted aspartic protease | Authors: | Dostal, J, Brynda, J, Hruskova-Heidingsfeldova, O, Pachl, P, Pichova, I, Rezacova, P. | Deposit date: | 2011-09-01 | Release date: | 2012-03-07 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The crystal structure of protease Sapp1p from Candida parapsilosis in complex with the HIV protease inhibitor ritonavir. J Enzyme Inhib Med Chem, 27, 2012
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7ACK
| CDK2/cyclin A2 in complex with an imidazo[1,2-c]pyrimidin-5-one inhibitor | Descriptor: | 1,2-ETHANEDIOL, 8-cyclohexyl-6~{H}-imidazo[1,2-c]pyrimidin-5-one, Cyclin-A2, ... | Authors: | Skerlova, J, Pachl, P, Rezacova, P. | Deposit date: | 2020-09-11 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Imidazo[1,2-c]pyrimidin-5(6H)-one inhibitors of CDK2: Synthesis, kinase inhibition and co-crystal structure. Eur.J.Med.Chem., 216, 2021
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6F9O
| Crystal structure of cold-adapted haloalkane dehalogenase DpcA from Psychrobacter cryohalolentis K5 | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Haloalkane dehalogenase, ... | Authors: | Tratsiak, K, Prudnikova, T, Drienovska, I, Damborsky, J, Brynda, J, Pachl, P, Kuty, M, Chaloupkova, R, Kuta Smatanova, I, Rezacova, P. | Deposit date: | 2017-12-15 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Crystal structure of the cold-adapted haloalkane dehalogenase DpcA from Psychrobacter cryohalolentis K5. Acta Crystallogr.,Sect.F, 75, 2019
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5F09
| Structure of inactive GCPII mutant in complex with beta-citryl glutamate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Tykvart, J, Navratil, M, Pachl, P, Konvalinka, J. | Deposit date: | 2015-11-27 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Comparison of human glutamate carboxypeptidases II and III reveals their divergent substrate specificities. Febs J., 283, 2016
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6IAH
| Phosphatase Tt82 from Thermococcus thioreducens | Descriptor: | CHLORIDE ION, Hydrolase, MAGNESIUM ION | Authors: | Havlickova, P, Brinsa, V, Brynda, J, Pachl, P, Prudnikova, T, Mesters, J.R, Kascakova, B, Kuty, M, Pusey, M.L, Ng, J.D, Rezacova, P, Smatanova, I.K. | Deposit date: | 2018-11-26 | Release date: | 2019-08-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A novel structurally characterized haloacid dehalogenase superfamily phosphatase from Thermococcus thioreducens with diverse substrate specificity. Acta Crystallogr D Struct Biol, 75, 2019
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5I67
| Crystal Structure Analysis of MTB PEPCK mutant C273S | Descriptor: | DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ... | Authors: | Dostal, J, Pachl, P, Machova, I, Pichova, I, Snasel, J. | Deposit date: | 2016-02-16 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | Crystal Structure Analysis of MTB PEPCK mutant C273S To Be Published
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5K7Y
| Crystal structure of enzyme in purine metabolism | Descriptor: | Cytosolic purine 5'-nucleotidase, GLYCEROL | Authors: | Skerlova, J, Hnizda, A, Pachl, P, Rezacova, P. | Deposit date: | 2016-05-27 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Oligomeric interface modulation causes misregulation of purine 5 -nucleotidase in relapsed leukemia. Bmc Biol., 14, 2016
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5L4Z
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5L50
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7KB0
| O-acety-L-homoserine aminocarboxypropyltransferase (MetY) from Thermotoga maritima with pyridoxal-5-phosphate (PLP) bound in the internal aldimine state | Descriptor: | O-acetyl-L-homoserine sulfhydrylase | Authors: | Brewster, J.L, Pachl, P, Squire, C, Selmer, M, Patrick, W.M. | Deposit date: | 2020-10-01 | Release date: | 2021-06-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structures and kinetics of Thermotoga maritima MetY reveal new insights into the predominant sulfurylation enzyme of bacterial methionine biosynthesis. J.Biol.Chem., 296, 2021
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7KB1
| Complex of O-acety-L-homoserine aminocarboxypropyltransferase (MetY) from Thermotoga maritima and a key reaction intermediate | Descriptor: | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, MAGNESIUM ION, O-acetyl-L-homoserine sulfhydrylase, ... | Authors: | Brewster, J.L, Pachl, P, Squire, C, Selmer, M, Patrick, W.M. | Deposit date: | 2020-10-01 | Release date: | 2021-06-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structures and kinetics of Thermotoga maritima MetY reveal new insights into the predominant sulfurylation enzyme of bacterial methionine biosynthesis. J.Biol.Chem., 296, 2021
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5MTF
| A modular route to novel potent and selective inhibitors of rhomboid intramembrane proteases | Descriptor: | CHLORIDE ION, Rhomboid protease GlpG, inhibitor, ... | Authors: | Ticha, A, Stanchev, S, Vinothkumar, K.R, Mikles, D.C, Pachl, P, Svehlova, K, Nguyen, M.T.N, Verhelst, S.H.L, Johnson, D, Bachovchin, D, Lepsik, M, Majer, P, Strisovsky, K. | Deposit date: | 2017-01-09 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | General and Modular Strategy for Designing Potent, Selective, and Pharmacologically Compliant Inhibitors of Rhomboid Proteases. Cell Chem Biol, 24, 2017
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4NGS
| Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Tykvart, J, Pachl, P. | Deposit date: | 2013-11-02 | Release date: | 2014-06-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery. Bioorg.Med.Chem., 22, 2014
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4NGM
| Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Tykvart, J, Pachl, P. | Deposit date: | 2013-11-02 | Release date: | 2014-06-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery. Bioorg.Med.Chem., 22, 2014
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4NGR
| Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Tykvart, J, Pachl, P. | Deposit date: | 2013-11-02 | Release date: | 2014-06-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery. Bioorg.Med.Chem., 22, 2014
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4NGT
| Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Tykvart, J, Pachl, P. | Deposit date: | 2013-11-02 | Release date: | 2014-06-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery. Bioorg.Med.Chem., 22, 2014
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4NGP
| Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Tykvart, J, Pachl, P. | Deposit date: | 2013-11-02 | Release date: | 2014-06-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery. Bioorg.Med.Chem., 22, 2014
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4NGN
| Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Tykvart, J, Pachl, P. | Deposit date: | 2013-11-02 | Release date: | 2014-06-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery. Bioorg.Med.Chem., 22, 2014
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4NGQ
| Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Tykvart, J, Pachl, P. | Deposit date: | 2013-11-02 | Release date: | 2014-06-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery. Bioorg.Med.Chem., 22, 2014
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6I1M
| Secreted type 1 cystatin from Fasciola hepatica | Descriptor: | Cystatin, IODIDE ION | Authors: | Busa, M, Rezacova, P, Pachl, P, Stefanic, S, Mares, M. | Deposit date: | 2018-10-29 | Release date: | 2020-08-26 | Last modified: | 2023-03-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An evolutionary molecular adaptation of an unusual stefin from the liver fluke Fasciola hepatica redefines the cystatin superfamily. J.Biol.Chem., 299, 2023
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7ZSM
| human purine nucleoside phosphorylase in complex with JS-375 | Descriptor: | CHLORIDE ION, Purine nucleoside phosphorylase, SULFATE ION, ... | Authors: | Djukic, S, Pachl, P, Rezacova, P. | Deposit date: | 2022-05-07 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
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7ZSN
| human purine nucleoside phosphorylase in complex with JS-379 | Descriptor: | 6-tungstotellurate(VI), Purine nucleoside phosphorylase, SULFATE ION, ... | Authors: | Djukic, S, Pachl, P, Rezacova, P. | Deposit date: | 2022-05-07 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
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7ZSP
| human purine nucleoside phosphorylase in complex with JS-555 | Descriptor: | 6-tungstotellurate(VI), Purine nucleoside phosphorylase, SODIUM ION, ... | Authors: | Djukic, S, Pachl, P, Rezacova, P. | Deposit date: | 2022-05-08 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
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7ZSO
| human purine nucleoside phosphorylase in complex with JS-554 | Descriptor: | GLYCEROL, Purine nucleoside phosphorylase, SODIUM ION, ... | Authors: | Djukic, S, Pachl, P, Rezacova, P. | Deposit date: | 2022-05-07 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
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