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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4M8Y
 | | GS-8374, a Novel Phosphonate-Containing Inhibitor of HIV-1 Protease, Effectively Inhibits HIV PR Mutants with Amino Acid Insertions | | 分子名称: | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease | | 著者 | Grantz saskova, K, Brynda, J, Rezacova, P, Kozisek, M, Konvalinka, J. | | 登録日 | 2013-08-14 | | 公開日 | 2014-05-07 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | GS-8374, a prototype phosphonate-containing inhibitor of HIV-1 protease, effectively inhibits protease mutants with amino acid insertions.
J.Virol., 88, 2014
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4M8X
 | | GS-8374, a Novel Phosphonate-Containing Inhibitor of HIV-1 Protease, Effectively Inhibits HIV PR Mutants with Amino Acid Insertions | | 分子名称: | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease | | 著者 | Grantz saskova, K, Brynda, J, Rezacova, P, Kozisek, M, Konvalinka, J. | | 登録日 | 2013-08-14 | | 公開日 | 2014-05-07 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | GS-8374, a prototype phosphonate-containing inhibitor of HIV-1 protease, effectively inhibits protease mutants with amino acid insertions.
J.Virol., 88, 2014
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2CIJ
 | | membrane-bound glutamate carboxypeptidase II (GCPII) with bound 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 | Barinka, C, Plechanovova, A, Rulisek, L, Mlcochova, P, Majer, P, Slusher, B.S, Hilgenfeld, R, Mesters, J.R, Konvalinka, J. | | 登録日 | 2006-03-21 | | 公開日 | 2007-03-27 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Glutamate Carboxypeptidase II
Handbook of Metalloproteins, 4, 2011
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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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2PYN
 | | HIV-1 PR mutant in complex with nelfinavir | | 分子名称: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, PROTEASE RETROPEPSIN | | 著者 | Rezacova, P, Kozisek, M, Saskova, K, Brynda, J, Konvalinka, J. | | 登録日 | 2007-05-16 | | 公開日 | 2008-02-26 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | 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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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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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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3BXM
 | | Structure of an inactive mutant of human glutamate carboxypeptidase II [GCPII(E424A)] in complex with N-acetyl-Asp-Glu (NAAG) | | 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 | Lubkowski, J, Barinka, C. | | 登録日 | 2008-01-14 | | 公開日 | 2009-01-27 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Reaction mechanism of glutamate carboxypeptidase II revealed by mutagenesis, X-ray crystallography, and computational methods.
Biochemistry, 48, 2009
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2PVV
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4NGS
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4NGM
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4NGR
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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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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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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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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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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 | 2011-07-13 | | 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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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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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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1ZLF
 | | Crystal structure of a complex of mutant HIV-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor | | 分子名称: | N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-glutaminyl-L-phenylalaninamide, PROTEASE RETROPEPSIN | | 著者 | Skalova, T, Dohnalek, J, Duskova, J, Petrokova, H, Hasek, J. | | 登録日 | 2005-05-06 | | 公開日 | 2006-04-25 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | HIV-1 protease mutations and inhibitor modifications monitored on a series of complexes. Structural basis for the effect of the A71V mutation on the active site
J.Med.Chem., 49, 2006
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1ZJ7
 | | Crystal structure of a complex of mutant HIV-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[S-CH(OH)CH2NH]-PHE-GLU-PHE-NH2 | | 分子名称: | N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN | | 著者 | Skalova, T, Dohnalek, J, Duskova, J, Petrokova, H, Hasek, J. | | 登録日 | 2005-04-28 | | 公開日 | 2006-05-09 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | HIV-1 protease mutations and inhibitor modifications monitored on a series of complexes. Structural basis for the effect of the A71V mutation on the active site
J.Med.Chem., 49, 2006
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