2Q63
| HIV-1 PR mutant in complex with nelfinavir | Descriptor: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PROTEASE RETROPEPSIN | Authors: | Rezacova, P, Kozisek, M, Saskova, K, Brynda, J, Konvalinka, J. | Deposit date: | 2007-06-04 | Release date: | 2008-02-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular analysis of the HIV-1 resistance development: enzymatic activities, crystal structures, and thermodynamics of nelfinavir-resistant HIV protease mutants J.Mol.Biol., 374, 2007
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2PYM
| HIV-1 PR mutant in complex with nelfinavir | Descriptor: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PROTEASE RETROPEPSIN | Authors: | Rezacova, P, Kozisek, M, Saskova, K, Brynda, J, Konvalinka, J. | Deposit date: | 2007-05-16 | Release date: | 2008-02-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular analysis of the HIV-1 resistance development: enzymatic activities, crystal structures, and thermodynamics of nelfinavir-resistant HIV protease mutants J.Mol.Biol., 374, 2007
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2Q64
| HIV-1 PR mutant in complex with nelfinavir | Descriptor: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PROTEASE RETROPEPSIN | Authors: | Rezacova, P, Kozisek, M, Saskova, K, Brynda, J, Konvalinka, J. | Deposit date: | 2007-06-04 | Release date: | 2008-02-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular analysis of the HIV-1 resistance development: enzymatic activities, crystal structures, and thermodynamics of nelfinavir-resistant HIV protease mutants J.Mol.Biol., 374, 2007
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2QAK
| HIV-1 PR mutant in complex with nelfinavir | Descriptor: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PROTEASE RETROPEPSIN | Authors: | Rezacova, P, Kozisek, M, Saskova, K, Brynda, J, Konvalinka, J. | Deposit date: | 2007-06-16 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Evolutionary pathway of HIV resistance analyzed on molecular level: Enzymatic activities, 3-D structures and thermodynamics of HIV proteases resistant to nelfinavir To be Published
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2RKF
| HIV-1 PR resistant mutant + LPV | Descriptor: | GLYCEROL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PROTEASE RETROPEPSIN, ... | Authors: | Rezacova, P, Brynda, J, Kozisek, M, Saskova, K.G, Konvalinka, J. | Deposit date: | 2007-10-16 | Release date: | 2008-08-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ninety-nine is not enough: molecular characterization of inhibitor-resistant human immunodeficiency virus type 1 protease mutants with insertions in the flap region J.Virol., 82, 2008
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2RKG
| HIV-1 PR resistant mutant + LPV | Descriptor: | GLYCEROL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PROTEASE RETROPEPSIN | Authors: | Rezacova, P, Brynda, J, Kozisek, M, Saskova, K, Konvalinka, J. | Deposit date: | 2007-10-16 | Release date: | 2008-08-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ninety-nine is not enough: molecular characterization of inhibitor-resistant human immunodeficiency virus type 1 protease mutants with insertions in the flap region J.Virol., 82, 2008
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8C25
| purine nucleoside phosphorylase in complex with JS-375 | Descriptor: | CHLORIDE ION, GLYCEROL, Purine nucleoside phosphorylase, ... | Authors: | Djukic, S, Pachl, P, Rezacova, P. | Deposit date: | 2022-12-21 | Release date: | 2023-05-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. J.Med.Chem., 66, 2023
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5EDF
| Crystal structure of the selenomethionine-substituted iron-regulated protein FrpD from Neisseria meningitidis | Descriptor: | AZIDE ION, FrpC operon protein, HEXAETHYLENE GLYCOL, ... | Authors: | Sviridova, E, Bumba, L, Rezacova, P, Sebo, P, Kuta Smatanova, I. | Deposit date: | 2015-10-21 | Release date: | 2017-02-01 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis of the interaction between the putative adhesion-involved and iron-regulated FrpD and FrpC proteins of Neisseria meningitidis. Sci Rep, 7, 2017
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5EDJ
| Crystal structure of the Neisseria meningitidis iron-regulated outer membrane lipoprotein FrpD | Descriptor: | FrpC operon protein | Authors: | Sviridova, E, Bumba, L, Rezacova, P, Sebo, P, Kuta Smatanova, I. | Deposit date: | 2015-10-21 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of the interaction between the putative adhesion-involved and iron-regulated FrpD and FrpC proteins of Neisseria meningitidis. Sci Rep, 7, 2017
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8B54
| CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR6768 | Descriptor: | 1,2-ETHANEDIOL, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Djukic, S, Skerlova, J, Rezacova, P. | Deposit date: | 2022-09-21 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Characterization of new highly selective pyrazolo[4,3-d]pyrimidine inhibitor of CDK7. Biomed Pharmacother, 161, 2023
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4WDR
| Crystal structure of haloalkane dehalogenase LinB 140A+143L+177W+211L mutant (LinB86) from Sphingobium japonicum UT26 | Descriptor: | CALCIUM ION, CHLORIDE ION, Haloalkane dehalogenase | Authors: | Degtjarik, O, Rezacova, P, Iermak, I, Chaloupkova, R, Damborsky, J, Kuta-Smatanova, I. | Deposit date: | 2014-09-09 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of haloalkane dehalogenase LinB mutant (L177W) from Sphingobium japonicum UT26 Acs Catalysis, 2016
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4WDQ
| Crystal structure of haloalkane dehalogenase LinB32 mutant (L177W) from Sphingobium japonicum UT26 | Descriptor: | CHLORIDE ION, Haloalkane dehalogenase, MAGNESIUM ION | Authors: | Degtjarik, O, Rezacova, P, Chaloupkova, R, Damborsky, J, Kuta-Smatanova, I. | Deposit date: | 2014-09-09 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal structure of haloalkane dehalogenase LinB mutant (L177W) from Sphingobium japonicum UT26 Acs Catalysis, 2016
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4WCV
| Haloalkane dehalogenase DhaA mutant from Rhodococcus rhodochrous (T148L+G171Q+A172V+C176G) | Descriptor: | ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ... | Authors: | Holubeva, T, Prudnikova, T, Kuta-Smatanova, I, Rezacova, P. | Deposit date: | 2014-09-05 | Release date: | 2014-10-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Balancing the stability-activity trade-off by fine-tuning dehalogenase access tunnels Chemcatchem, 2015
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4U7Q
| Structure of wild-type HIV protease in complex with photosensitive inhibitor PDI-6 | Descriptor: | N~2~-({[7-(diethylamino)-2-oxo-2H-chromen-4-yl]methoxy}carbonyl)-N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide, V-1 protease | Authors: | Pachl, P, Rezacova, P, Schimer, J. | Deposit date: | 2014-07-31 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Triggering HIV polyprotein processing by light using rapid photodegradation of a tight-binding protease inhibitor. Nat Commun, 6, 2015
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4U7V
| Structure of wild-type HIV protease in complex with degraded photosensitive inhibitor | Descriptor: | BETA-MERCAPTOETHANOL, N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide, V-1 protease | Authors: | Pachl, P, Rezacova, P, Schimer, J. | Deposit date: | 2014-07-31 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Triggering HIV polyprotein processing by light using rapid photodegradation of a tight-binding protease inhibitor. Nat Commun, 6, 2015
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7OYK
| DNA-binding domain of CggR in complex with the DNA operator | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Central glycolytic genes regulator, ... | Authors: | Novakova, M, Rezacova, P, Skerlova, J, Brynda, J. | Deposit date: | 2021-06-24 | Release date: | 2021-11-10 | Last modified: | 2021-11-24 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Structural insight into DNA recognition by bacterial transcriptional regulators of the SorC/DeoR family. Acta Crystallogr D Struct Biol, 77, 2021
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4Q78
| Structure-assisted design of carborane-based inhibitors of carbonic anhydrase | Descriptor: | 1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | Authors: | Mader, P, Brynda, J, Rezacova, P. | Deposit date: | 2014-04-24 | Release date: | 2015-03-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Carborane-based carbonic anhydrase inhibitors: insight into CAII/CAIX specificity from a high-resolution crystal structure, modeling, and quantum chemical calculations. Biomed Res Int, 2014, 2014
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1ZTZ
| Crystal structure of HIV protease- metallacarborane complex | Descriptor: | COBALT BIS(1,2-DICARBOLLIDE), PROTEASE RETROPEPSIN, autoproteolytic tetrapeptide | Authors: | Cigler, P, Kozisek, M, Rezacova, P, Brynda, J, Otwinowski, Z, Sedlacek, J, Bodem, J, Kraeusslich, H.-G, Kral, V, Konvalinka, J. | Deposit date: | 2005-05-28 | Release date: | 2005-11-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | From nonpeptide toward noncarbon protease inhibitors: Metallacarboranes as specific and potent inhibitors of HIV protease Proc.Natl.Acad.Sci.USA, 102, 2005
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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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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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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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7QHL
| Crystal structure of Cyclin-dependent kinase 2/cyclin A in complex with 3,5,7-Substituted pyrazolo[4,3-d]pyrimidine inhibitor 24 | Descriptor: | 1,2-ETHANEDIOL, 5-(2-amino-1-ethyl)thio-3-cyclobutyl-7-[4-(pyrazol-1-yl)benzyl]amino-1(2)H-pyrazolo[4,3-d]pyrimidine, Cyclin-A2, ... | Authors: | Djukic, S, Skerlova, J, Rezacova, P. | Deposit date: | 2021-12-13 | Release date: | 2022-07-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 3,5,7-Substituted Pyrazolo[4,3- d ]Pyrimidine Inhibitors of Cyclin-Dependent Kinases and Cyclin K Degraders. J.Med.Chem., 65, 2022
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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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