2HKF
| Crystal structure of the Complex Fab M75- Peptide | 分子名称: | Carbonic anhydrase 9, Immunoglobulin Heavy chain Fab fragment, Immunoglobulin Light chain Fab fragment | 著者 | Kral, V, Mader, P, Stouracova, R, Fabry, M, Horejsi, M, Brynda, J. | 登録日 | 2006-07-04 | 公開日 | 2007-11-13 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Stabilization of antibody structure upon association to a human carbonic anhydrase IX epitope studied by X-ray crystallography, microcalorimetry, and molecular dynamics simulations. Proteins, 71, 2008
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8CC2
| Cathepsin B1 from Schistosoma mansoni in complex with gallinamide A | 分子名称: | Cathepsin B-like peptidase (C01 family), SODIUM ION, gallinamide A, ... | 著者 | Rubesova, P, Brynda, J, Mares, M, Gerwick, W.H. | 登録日 | 2023-01-26 | 公開日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Cathepsin B1 from Schistosoma mansoni in complex with gallinamide A To Be Published
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8CCU
| Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 1 | 分子名称: | Cathepsin B-like peptidase (C01 family), SODIUM ION, [(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-2-(2-methylpropyl)-5-oxidanylidene-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S},3~{S})-2-(dimethylamino)-3-methyl-pentanoate | 著者 | Rubesova, P, Brynda, J, Gerwick, W.H, Mares, M. | 登録日 | 2023-01-27 | 公開日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 1 To Be Published
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1JP5
| Crystal structure of the single-chain Fv fragment 1696 in complex with the epitope peptide corresponding to N-terminus of HIV-1 protease | 分子名称: | epitope peptide corresponding to N-terminus of HIV-1 protease, single-chain Fv fragment 1696 | 著者 | Rezacova, P, Lescar, J, Brynda, J, Fabry, M, Horejsi, M, Sedlacek, J, Bentley, G.A. | 登録日 | 2001-08-01 | 公開日 | 2001-10-12 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural basis of HIV-1 and HIV-2 protease inhibition by a monoclonal antibody. Structure, 9, 2001
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1SP5
| Crystal structure of HIV-1 protease complexed with a product of autoproteolysis | 分子名称: | 5-mer peptide from Protease, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Vondrackova, E, Hasek, J, Jaskolski, M, Rezacova, P, Dohnalek, J, Skalova, T, Petrokova, H, Duskova, J, Brynda, J, Sedlacek, J. | 登録日 | 2004-03-16 | 公開日 | 2005-07-19 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Product of enzymatic self-cleavage bound in the active site of HIV protease To be Published
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7AS0
| Influenza A PB2 in complex with VX-787 | 分子名称: | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, BROMIDE ION, Polymerase basic protein 2 | 著者 | Radilova, K, Brynda, J. | 登録日 | 2020-10-26 | 公開日 | 2021-02-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase. Molecules, 26, 2021
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7AS1
| Influenza A PB2 (F404Y mutation) in complex with VX-787 | 分子名称: | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, CHLORIDE ION, Polymerase basic protein 2 | 著者 | Radilova, K, Brynda, J. | 登録日 | 2020-10-26 | 公開日 | 2021-02-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase. Molecules, 26, 2021
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7AS2
| Influenza A PB2 (M431 mutation) in complex with VX-787 | 分子名称: | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2 | 著者 | Radilova, K, Brynda, J. | 登録日 | 2020-10-26 | 公開日 | 2021-02-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase. Molecules, 26, 2021
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7AS3
| Influenza A PB2 (H357N mutation) in complex with VX-787 | 分子名称: | (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2 | 著者 | Radilova, K, Brynda, J. | 登録日 | 2020-10-26 | 公開日 | 2021-02-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase. Molecules, 26, 2021
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6S03
| Carbonic Anhydrase CAIX mimic in complex with inhibitor I39LT379 | 分子名称: | 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 | 著者 | Kugler, M, Brynda, J, Rezacova, P. | 登録日 | 2019-06-13 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | 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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6RZX
| Carbonic Anhydrase CAIX mimic in complex with inhibitor FBSA | 分子名称: | 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Kugler, M, Brynda, J, Rezacova, P. | 登録日 | 2019-06-13 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | 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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8A2K
| human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-[(2-naphthyloxy)methyl]phenyl)-AMP | 分子名称: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-[4-(naphthalen-1-yloxymethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one, Stimulator of interferon genes protein | 著者 | Vavrina, Z, Brynda, J, Rezacova, P. | 登録日 | 2022-06-03 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists. J.Med.Chem., 65, 2022
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8A2H
| human STING in complex with 2',3'-cyclic-GMP-7-deazaphenyl-AMP | 分子名称: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon genes protein | 著者 | Smola, M, Vavrina, Z, Boura, E, Brynda, J. | 登録日 | 2022-06-03 | 公開日 | 2022-10-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists. J.Med.Chem., 65, 2022
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8A2J
| human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-biphenylyl)-AMP | 分子名称: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon genes protein | 著者 | Vavrina, Z, Brynda, J, Rezacova, P. | 登録日 | 2022-06-03 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists. J.Med.Chem., 65, 2022
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8A2I
| human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-(2-naphthyl)phenyl)-AMP | 分子名称: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-naphthalen-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one, Stimulator of interferon genes protein | 著者 | Vavrina, Z, Brynda, J, Rezacova, P. | 登録日 | 2022-06-03 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists. J.Med.Chem., 65, 2022
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1RL8
| Crystal structure of the complex of resistant strain of hiv-1 protease(v82a mutant) with ritonavir | 分子名称: | RITONAVIR, protease RETROPEPSIN | 著者 | Rezacova, P, Brynda, J, Sedlacek, J, Konvalinka, J, Fabry, M, Horejsi, M. | 登録日 | 2003-11-25 | 公開日 | 2005-04-19 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of the complex of resistant strain of hiv-1 protease(v82a mutant) with ritonavir To be Published, 2005
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1SVZ
| Crystal structure of the single-chain Fv fragment 1696 in complex with the epitope peptide corresponding to N-terminus of HIV-2 protease | 分子名称: | epitope peptide corresponding to N-terminus of HIV-2 protease, single-chain Fv fragment 1696 | 著者 | Rezacova, P, Brynda, J, Lescar, J, Bentley, G.A, Fabry, M, Horejsi, M, Sedlacek, J. | 登録日 | 2004-03-30 | 公開日 | 2005-03-01 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Crystal structure of a cross-reaction complex between an anti-HIV-1 protease antibody and an HIV-2 protease peptide J.Struct.Biol., 149, 2005
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4O1G
| MTB adenosine kinase in complex with gamma-Thio-ATP | 分子名称: | Adenosine kinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SODIUM ION | 著者 | Dostal, J, Brynda, J, Hocek, M, Pichova, I. | 登録日 | 2013-12-15 | 公開日 | 2014-11-26 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | 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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7AGE
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7AGB
| Protease Sapp1p from Candida parapsilosis in complex with KB70 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Candidapepsin, ... | 著者 | Dostal, J, Heidingsfeld, O, Brynda, J. | 登録日 | 2020-09-22 | 公開日 | 2021-04-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis . J Enzyme Inhib Med Chem, 36, 2021
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7AGD
| Protease Sapp1p from Candida parapsilosis in complex with KB75 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Candidapepsin, DI(HYDROXYETHYL)ETHER, ... | 著者 | Dostal, J, Heidingsfeld, O, Brynda, J. | 登録日 | 2020-09-22 | 公開日 | 2021-04-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis . J Enzyme Inhib Med Chem, 36, 2021
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7AGC
| Protease Sapp1p from Candida parapsilosis in complex with KB74 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Candidapepsin, DI(HYDROXYETHYL)ETHER, ... | 著者 | Dostal, J, Heidingsfeld, O, Brynda, J. | 登録日 | 2020-09-22 | 公開日 | 2021-04-21 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis . J Enzyme Inhib Med Chem, 36, 2021
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3V7X
| Complex of human carbonic anhydrase II with N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide | 分子名称: | Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... | 著者 | Mader, P, Brynda, J, Rezacova, P. | 登録日 | 2011-12-22 | 公開日 | 2012-04-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | 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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3VBD
| Complex of human carbonic anhydrase II with 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide | 分子名称: | 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Mader, P, Brynda, J, Rezacova, P. | 登録日 | 2012-01-02 | 公開日 | 2012-04-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | 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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3IGP
| Structure of inhibitor binding to Carbonic Anhydrase II | 分子名称: | 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Gitto, R, Agnello, S, Brynda, J, Mader, P, Supuran, C.T, Chimirri, A. | 登録日 | 2009-07-28 | 公開日 | 2010-03-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Identification of 3,4-Dihydroisoquinoline-2(1H)-sulfonamides as Potent Carbonic Anhydrase Inhibitors: Synthesis, Biological Evaluation, and Enzyme-Ligand X-ray Studies. J.Med.Chem., 2010
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