1ZSF
| Crystal Structure of Complex of a Hydroxyethylamine Inhibitor with HIV-1 Protease at 2.0A Resolution | Descriptor: | N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN | Authors: | Duskova, J, Skalova, T, Dohnalek, J, Petrokova, H, Hasek, J. | Deposit date: | 2005-05-24 | Release date: | 2006-04-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | On the role of the R configuration of the reaction-intermediate isostere in HIV-1 protease-inhibitor binding: X-ray structure at 2.0 A resolution. Acta Crystallogr.,Sect.D, 62, 2006
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1ZSR
| Crystal structure of wild type HIV-1 protease (BRU isolate) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[S-CH(OH)CH2NH]-PHE-GLU-PHE-NH2 | Descriptor: | N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN | Authors: | Skalova, T, Dohnalek, J, Duskova, J, Petrokova, H, Hasek, J. | Deposit date: | 2005-05-24 | Release date: | 2006-04-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | On the role of the R configuration of the reaction-intermediate isostere in HIV-1 protease-inhibitor binding: X-ray structure at 2.0 A resolution. Acta Crystallogr.,Sect.D, 62, 2006
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6I1A
| Crystal structure of rutinosidase from Aspergillus niger | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, rutinosidase | Authors: | Pachl, P, Rezacova, P, Kapesova, J. | Deposit date: | 2018-10-28 | Release date: | 2020-01-29 | Last modified: | 2020-08-12 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Rutinosidase from Aspergillus niger: crystal structure and insight into the enzymatic activity. Febs J., 287, 2020
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6S27
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7QBN
| Structure of cathepsin K in complex with the azadipeptide nitrile inhibitor Gu1303 | Descriptor: | (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Benysek, J, Busa, M, Mares, M. | Deposit date: | 2021-11-19 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
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7QBL
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7QBM
| Structure of the activation intermediate of cathepsin K in complex with the 3-cyano-3-aza-beta-amino acid inhibitor Gu2602 | Descriptor: | ACETATE ION, Cathepsin K, MAGNESIUM ION, ... | Authors: | Benysek, J, Busa, M, Mares, M. | Deposit date: | 2021-11-19 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
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7QBO
| Structure of the activation intermediate of cathepsin K in complex with the azadipeptide nitrile inhibitor Gu1303 | Descriptor: | (phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Benysek, J, Busa, M, Mares, M. | Deposit date: | 2021-11-19 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes. J Enzyme Inhib Med Chem, 37, 2022
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4PVV
| Micobacterial Adenosine Kinase in complex with inhibitor | Descriptor: | 5-ethynyl-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Adenosine kinase | Authors: | Pichova, I, Hocek, M, Dostal, J, Rezacova, P. | Deposit date: | 2014-03-18 | Release date: | 2014-11-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides J.Med.Chem., 57, 2014
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1M0B
| HIV-1 protease in complex with an ethyleneamine inhibitor | Descriptor: | GLYCEROL, N-{(3S)-3-[(tert-butoxycarbonyl)amino]-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN | Authors: | Petrokova, H, Hasek, J, Dohnalek, J. | Deposit date: | 2002-06-12 | Release date: | 2004-01-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Role of hydroxyl group and R/S configuration of isostere in binding properties of HIV-1 protease inhibitors Eur.J.Biochem., 271, 2004
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3I8W
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2N7D
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6TVM
| LEDGF/p75 dimer (residues 345-467) | Descriptor: | PC4 and SFRS1-interacting protein | Authors: | Lux, V, Veverka, V. | Deposit date: | 2020-01-10 | Release date: | 2020-09-09 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Molecular Mechanism of LEDGF/p75 Dimerization. Structure, 28, 2020
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6GSZ
| Crystal structure of native alfa-L-rhamnosidase from Aspergillus terreus | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ... | Authors: | Pachl, P, Rezacova, P, Skerlova, J. | Deposit date: | 2018-06-15 | Release date: | 2018-11-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Crystal structure of native alpha-L-rhamnosidase from Aspergillus terreus. Acta Crystallogr D Struct Biol, 74, 2018
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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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7ZSL
| human purine nucleoside phosphorylase in complex with JS-196 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Purine nucleoside phosphorylase, ... | 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 (1.8 Å) | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 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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7ZSQ
| human purine nucleoside phosphorylase in complex with JS-555 | Descriptor: | 1,2-ETHANEDIOL, 6-tungstotellurate(VI), DI(HYDROXYETHYL)ETHER, ... | 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 (1.77 Å) | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
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7ZSR
| purine nucleoside phosphorylase in complex with JS-379 | Descriptor: | ACETATE ION, Purine nucleoside phosphorylase, [(~{E})-2-[5-bromanyl-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid | 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 (1.97 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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5MRK
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4MUM
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7OJ4
| Crystal structure of apo NS3 helicase from tick-borne encephalitis virus | Descriptor: | NS3 helicase domain | Authors: | Anindita, P.D, Havlickova, P, Kascakova, B, Grinkevich, P, Brynda, J, Franta, Z. | Deposit date: | 2021-05-13 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.828 Å) | Cite: | Mechanistic insight into the RNA-stimulated ATPase activity of tick-borne encephalitis virus helicase. J.Biol.Chem., 298, 2022
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7OYN
| Carbonic anhydrase II in complex with Hit3 (MH57) | Descriptor: | Carbonic anhydrase 2, Hit3 (MH57), ZINC ION | Authors: | Kugler, M, Brynda, J, Rezacova, P. | Deposit date: | 2021-06-24 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study. Rsc Med Chem, 14, 2023
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