1HC0
| structure of lysozyme with periodate | Descriptor: | CHLORIDE ION, IODIDE ION, LYSOZYME C | Authors: | Ondracek, J, Jursik, F, Brynda, J, Rezacova, P, Sedlacek, J. | Deposit date: | 2001-04-25 | Release date: | 2005-11-14 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Regular Arrangement of Periodates Bound to Lysozyme. Acta Crystallogr.,Sect.D, 61, 2005
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7B7S
| CDK2/cyclin A2 in complex with 3H-pyrazolo[4,3-f]quinoline-based derivative HSD1368 | Descriptor: | 7-(3-(trifluoromethyl)-1H-pyrazol-4yl)-3,8,10,11-tetrahydropyrazolo[4,3-f]thiopyrano[3,4-c]quinoline 9-oxide, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Djukic, S, Skerlova, J, Rezacova, P. | Deposit date: | 2020-12-11 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | 3 H -Pyrazolo[4,3- f ]quinoline-Based Kinase Inhibitors Inhibit the Proliferation of Acute Myeloid Leukemia Cells In Vivo. J.Med.Chem., 64, 2021
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7BHY
| DNA-binding domain of DeoR in complex with the DNA operator | Descriptor: | DNA operator - strand 1, DNA operator - strand 2, Deoxyribonucleoside regulator, ... | Authors: | Novakova, M, Rezacova, P, Skerlova, J, Brynda, J. | Deposit date: | 2021-01-11 | Release date: | 2021-11-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 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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5LKA
| Crystal structure of haloalkane dehalogenase LinB 140A+143L+177W+211L mutant (LinB86) from Sphingobium japonicum UT26 at 1.3 A resolution | Descriptor: | Haloalkane dehalogenase, THIOCYANATE ION | Authors: | Degtjarik, O, Rezacova, P, Iermak, I, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I. | Deposit date: | 2016-07-21 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.298 Å) | Cite: | Engineering a de novo transport tunnel. Acs Catalysis, 2016
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3I8T
| N-terminal CRD1 domain of mouse Galectin-4 in complex with lactose | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Galectin-4, ... | Authors: | Brynda, J, Krejcirikova, V, Rezacova, P. | Deposit date: | 2009-07-10 | Release date: | 2011-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the mouse galectin-4 N-terminal carbohydrate-recognition domain reveals the mechanism of oligosaccharide recognition Acta Crystallogr.,Sect.D, 67, 2011
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1U8G
| Crystal structure of a HIV-1 Protease in complex with peptidomimetic inhibitor KI2-PHE-GLU-GLU-NH2 | Descriptor: | PROTEASE RETROPEPSIN, peptidomimetic inhibitor KI2-PHE-GLU-GLU-NH2 | Authors: | Brynda, J, Rezacova, P, Fabry, M, Horejsi, M, Hradilek, M, Soucek, R, Stouracova, R, Konvalinka, J, Sedlacek, J. | Deposit date: | 2004-08-06 | Release date: | 2004-11-02 | Last modified: | 2018-02-14 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Inhibitor binding at the protein interface in crystals of a HIV-1 protease complex. Acta Crystallogr.,Sect.D, 60, 2004
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7OYO
| Carbonic anhydrase II in complex with Hit4 (MH70) | Descriptor: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, 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 (1.03 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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7OYR
| Carbonic anhydrase II in complex with Hit3-t4 (MH181) | Descriptor: | Carbonic anhydrase 2, Hit3-t4 (MH181), 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 (1.15 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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7OYM
| Carbonic anhydrase II in complex with Hit2 (MH65) | Descriptor: | Carbonic anhydrase 2, Hit2 (MH65), 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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7OYQ
| Carbonic anhydrase II in complex with Hit3-t2 (MH174) | Descriptor: | Carbonic anhydrase 2, Hit3-t2 (MH174), 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 (1.15 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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7OYP
| Carbonic anhydrase II in complex with Hit3-t1 (MH172) | Descriptor: | (2S)-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide, 4-methylbenzenesulfonamide, Carbonic anhydrase 2, ... | 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 (1.05 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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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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2G98
| human gamma-D-crystallin | Descriptor: | Gamma crystallin D | Authors: | Kmoch, S, Brynda, J, Awsav, B, Bezouska, K, Novak, P, Rezacova, P. | Deposit date: | 2006-03-06 | Release date: | 2006-05-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Link between a novel human gamma-D-crystallin allele and a unique cataract phenotype explained by protein crystallography. Hum.Mol.Genet., 12, 2000
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4YIH
| Crystal structure of human cytosolic 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PVU | Descriptor: | 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione, 5'(3')-deoxyribonucleotidase, cytosolic type, ... | Authors: | Pachl, P, Rezacova, P, Brynda, J. | Deposit date: | 2015-03-02 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure-based design of a bisphosphonate 5'(3')-deoxyribonucleotidase inhibitor Medchemcomm, 6, 2015
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4YIK
| Crystal structure of human cytosolic 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PVU | Descriptor: | 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'(3')-deoxyribonucleotidase, ... | Authors: | Pachl, P, Rezacova, P, Brynda, J. | Deposit date: | 2015-03-02 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.483 Å) | Cite: | Structure-based design of a bisphosphonate 5'(3')-deoxyribonucleotidase inhibitor Medchemcomm, 6, 2015
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1N4X
| Structure of scFv 1696 at acidic pH | Descriptor: | CHLORIDE ION, immunoglobulin heavy chain variable region, immunoglobulin kappa chain variable region | Authors: | Lescar, J, Brynda, J, Fabry, M, Horejsi, M, Rezacova, P, Sedlacek, J, Bentley, G.A. | Deposit date: | 2002-11-02 | Release date: | 2003-06-10 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of a single-chain Fv fragment of an antibody that inhibits the HIV-1 and HIV-2 proteases. Acta Crystallogr.,Sect.D, 59, 2003
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1NH0
| 1.03 A structure of HIV-1 protease: inhibitor binding inside and outside the active site | Descriptor: | BETA-MERCAPTOETHANOL, PROTEASE RETROPEPSIN, SULFATE ION, ... | Authors: | Brynda, J, Rezacova, P, Fabry, M, Horejsi, M, Hradilek, M, Soucek, M, Konvalinka, J, Sedlacek, J. | Deposit date: | 2002-12-18 | Release date: | 2004-04-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | A Phenylnorstatine Inhibitor Binding to HIV-1 Protease: Geometry,
Protonation, and Subsite-Pocket Interactions Analyzed at Atomic Resolution J.Med.Chem., 47, 2004
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6RZX
| Carbonic Anhydrase CAIX mimic in complex with inhibitor FBSA | Descriptor: | 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Kugler, M, Brynda, J, Rezacova, P. | Deposit date: | 2019-06-13 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA). SLAS Discov, 25, 2020
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6S03
| Carbonic Anhydrase CAIX mimic in complex with inhibitor I39LT379 | Descriptor: | 4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Kugler, M, Brynda, J, Rezacova, P. | Deposit date: | 2019-06-13 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA). SLAS Discov, 25, 2020
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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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3V7X
| Complex of human carbonic anhydrase II with N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide | Descriptor: | Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... | Authors: | Mader, P, Brynda, J, Rezacova, P. | Deposit date: | 2011-12-22 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors. J.Med.Chem., 55, 2012
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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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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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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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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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