3T11
 
 | | Dimeric inhibitor of HIV-1 protease. | | 分子名称: | (3S,11S)-11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | 著者 | Brynda, J, Rezacova, P, Saskova, G.K, Kozisek, M, Konvalinka, J. | | 登録日 | 2011-07-21 | | 公開日 | 2012-08-22 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Dimeric inhibitor of HIV-1 protease.
To be Published
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3SJX
 | | X-ray structure of human glutamate carboxypeptidase II (the E424A inactive mutant) in complex with N-acetyl-aspartyl-methionine | | 分子名称: | 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, ... | | 著者 | Plechanovova, A, Byun, Y, Alquicer, G, Skultetyova, L, Mlcochova, P, Nemcova, A, Kim, H, Navratil, M, Mease, R, Lubkowski, J, Pomper, M, Konvalinka, J, Rulisek, L, Barinka, C. | | 登録日 | 2011-06-22 | | 公開日 | 2011-10-05 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity.
J.Med.Chem., 54, 2011
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2RKF
 | | HIV-1 PR resistant mutant + LPV | | 分子名称: | 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, ... | | 著者 | Rezacova, P, Brynda, J, Kozisek, M, Saskova, K.G, Konvalinka, J. | | 登録日 | 2007-10-16 | | 公開日 | 2008-08-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 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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3U7S
 | | HIV PR drug resistant patient's variant in complex with darunavir | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, BETA-MERCAPTOETHANOL, Pol polyprotein | | 著者 | Saskova, K.G, Rezacova, P, Konvalinka, J, Brynda, J, Kozisek, M. | | 登録日 | 2011-10-14 | | 公開日 | 2012-01-18 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Molecular characterization of clinical isolates of human immunodeficiency virus resistant to the protease inhibitor darunavir.
J.Virol., 83, 2009
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2RKG
 | | HIV-1 PR resistant mutant + LPV | | 分子名称: | 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 | | 著者 | Rezacova, P, Brynda, J, Kozisek, M, Saskova, K, Konvalinka, J. | | 登録日 | 2007-10-16 | | 公開日 | 2008-08-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 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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3T3C
 | | Structure of HIV PR resistant patient derived mutant (comprising 22 mutations) in complex with DRV | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, BETA-MERCAPTOETHANOL, HIV-1 protease, ... | | 著者 | Rezacova, P, Kozisek, M, Konvalinka, J, Saskova, K.G. | | 登録日 | 2011-07-25 | | 公開日 | 2012-06-20 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Mutations in HIV-1 gag and pol Compensate for the Loss of Viral Fitness Caused by a Highly Mutated Protease.
Antimicrob.Agents Chemother., 56, 2012
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4NQI
 | | Structure of the N-terminal I-BAR domain (1-259) of D.Discoideum IBARa | | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, SH3 domain-containing protein | | 著者 | Witte, G, Faix, J, Runge-Wollmann, P. | | 登録日 | 2013-11-25 | | 公開日 | 2014-02-05 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | The inverse BAR domain protein IBARa drives membrane remodeling to control osmoregulation, phagocytosis and cytokinesis.
J.Cell.Sci., 127, 2014
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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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8PUP
 | | Influenza A/California/07/2009(H1N1) endonuclease in complex with purpurogallin-like compound | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, MANGANESE (II) ION, ... | | 著者 | Kotacka, T, Radilova, K. | | 登録日 | 2023-07-17 | | 公開日 | 2024-12-04 | | 最終更新日 | 2025-02-12 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 3'-Dehydroxypurpurogallin-4-Carboxamides as Influenza A Endonuclease Inhibitors: Synthesis, Structure-Activity Relationship Analysis, and Structural Characterization of Protein Complex.
Chemmedchem, 20, 2025
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4Z2Z
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4EJN
 | | Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide | | 分子名称: | 1,2-ETHANEDIOL, 2-BUTANOL, N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide, ... | | 著者 | Eathiraj, S. | | 登録日 | 2012-04-06 | | 公開日 | 2012-05-23 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors.
J.Med.Chem., 55, 2012
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4U7Q
 | | Structure of wild-type HIV protease in complex with photosensitive inhibitor PDI-6 | | 分子名称: | 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 | | 著者 | Pachl, P, Rezacova, P, Schimer, J. | | 登録日 | 2014-07-31 | | 公開日 | 2015-03-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 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 | | 分子名称: | 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 | | 著者 | Pachl, P, Rezacova, P, Schimer, J. | | 登録日 | 2014-07-31 | | 公開日 | 2015-03-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Triggering HIV polyprotein processing by light using rapid photodegradation of a tight-binding protease inhibitor.
Nat Commun, 6, 2015
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8RMO
 | | Crystal structure of anti-FLAG M2 Fab fragment bound to FLAG-tag peptide epitope | | 分子名称: | CHLORIDE ION, FLAG-tag, anti-FLAG M2 heavy chain, ... | | 著者 | Beugelink, J.W, Janssen, B.J.C, Pronker, M.F. | | 登録日 | 2024-01-08 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.163 Å) | | 主引用文献 | Structural Basis for Recognition of the FLAG-tag by Anti-FLAG M2.
J.Mol.Biol., 436, 2024
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1RSN
 | | RIBONUCLEASE (RNASE SA) (E.C.3.1.4.8) COMPLEXED WITH EXO-2',3'-CYCLOPHOSPHOROTHIOATE | | 分子名称: | GUANOSINE-2',3'-CYCLOPHOSPHOROTHIOATE, RIBONUCLEASE SA, SULFATE ION | | 著者 | Sevcik, J, Dauter, Z, Lamzin, V.S, Wilson, K.S. | | 登録日 | 1995-09-01 | | 公開日 | 1995-12-07 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Complex of ribonuclease Sa with a cyclic nucleotide and a proposed model for the reaction intermediate.
Eur.J.Biochem., 216, 1993
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1RGH
 | | HYDROLASE, GUANYLORIBONUCLEASE | | 分子名称: | RIBONUCLEASE, SULFATE ION | | 著者 | Sevcik, J, Dauter, Z, Lamzin, V.S, Wilson, K.S. | | 登録日 | 1995-06-05 | | 公開日 | 1996-10-14 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Ribonuclease from Streptomyces aureofaciens at atomic resolution.
Acta Crystallogr.,Sect.D, 52, 1996
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1RGF
 | | HYDROLASE, GUANYLORIBONUCLEASE | | 分子名称: | RIBONUCLEASE, SULFATE ION | | 著者 | Sevcik, J, Dauter, Z, Lamzin, V.S, Wilson, K.S. | | 登録日 | 1995-06-05 | | 公開日 | 1996-10-14 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Ribonuclease from Streptomyces aureofaciens at atomic resolution.
Acta Crystallogr.,Sect.D, 52, 1996
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1RGG
 | | HYDROLASE, GUANYLORIBONUCLEASE | | 分子名称: | RIBONUCLEASE, SULFATE ION | | 著者 | Sevcik, J, Dauter, Z, Lamzin, V.S, Wilson, K.S. | | 登録日 | 1995-06-05 | | 公開日 | 1996-10-14 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Ribonuclease from Streptomyces aureofaciens at atomic resolution.
Acta Crystallogr.,Sect.D, 52, 1996
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1RGE
 | | HYDROLASE, GUANYLORIBONUCLEASE | | 分子名称: | GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE, SULFATE ION | | 著者 | Sevcik, J, Dauter, Z, Lamzin, V.S, Wilson, K.S. | | 登録日 | 1995-06-05 | | 公開日 | 1996-10-14 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Ribonuclease from Streptomyces aureofaciens at atomic resolution.
Acta Crystallogr.,Sect.D, 52, 1996
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6YA5
 | | 2009 H1N1 PA Endonuclease in complex with LU2 | | 分子名称: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Radilova, K, Brynda, J. | | 登録日 | 2020-03-11 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Unraveling the anti-influenza effect of flavonoids: Experimental validation of luteolin and its congeners as potent influenza endonuclease inhibitors.
Eur.J.Med.Chem., 208, 2020
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6YEM
 | | H1N1 2009 PA Endonuclease in complex with Quambalarine B | | 分子名称: | 3,5,6,8-tetrakis(oxidanyl)-2-pentanoyl-naphthalene-1,4-dione, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Radilova, K, Brynda, J. | | 登録日 | 2020-03-25 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Unraveling the anti-influenza effect of flavonoids: Experimental validation of luteolin and its congeners as potent influenza endonuclease inhibitors.
Eur.J.Med.Chem., 208, 2020
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1SL7
 | | Crystal structure of calcium-loaded apo-obelin from Obelia longissima | | 分子名称: | CALCIUM ION, Obelin | | 著者 | Deng, L, Markova, S.V, Vysotski, E.S, Liu, Z.J, Lee, J, Rose, J, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2004-03-05 | | 公開日 | 2004-12-28 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | All three Ca2+-binding loops of photoproteins bind calcium ions: The crystal structures of calcium-loaded apo-aequorin and apo-obelin.
Protein Sci., 14, 2005
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