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2PYN
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BU of 2pyn by Molmil
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
2CIJ
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BU of 2cij by Molmil
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
2PYM
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BU of 2pym by Molmil
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 (1.9 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
2Q63
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BU of 2q63 by Molmil
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2007-06-04
公開日2008-02-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 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
2Q64
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BU of 2q64 by Molmil
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2007-06-04
公開日2008-02-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 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
2QHC
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BU of 2qhc by Molmil
The Influence of I47A Mutation on Reduced Susceptibility to the Protease Inhibitor Lopinavir
分子名称: BETA-MERCAPTOETHANOL, 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Brynda, J, Saskova, K.G, Kozisek, M, Lepsik, M, Machala, L, Konvalinka, J.
登録日2007-07-02
公開日2008-07-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献Enzymatic and structural analysis of the I47A mutation contributing to the reduced susceptibility to HIV protease inhibitor lopinavir.
Protein Sci., 17, 2008
4NQI
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BU of 4nqi by Molmil
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
4EJN
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BU of 4ejn by Molmil
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
4MCR
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BU of 4mcr by Molmil
A high resolution structure of human glutamate carboxypeptidase II (GCPII) in complex with folyltri-gamma-L-glutamic acid (pteroyltetra-gamma-L-glutamic acid)
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Navratil, M, Barinka, C, Lubkowski, J.
登録日2013-08-21
公開日2014-06-18
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and biochemical characterization of the folyl-poly-gamma-l-glutamate hydrolyzing activity of human glutamate carboxypeptidase II.
Febs J., 281, 2014
4MCS
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BU of 4mcs by Molmil
A high resolution structure of human glutamate carboxypeptidase II (GCPII) His475Tyr variant in complex with glutamic acid
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, ASPARTIC ACID, ...
著者Ptacek, J, Barinka, C, Sacha, P, Navratil, M.
登録日2013-08-21
公開日2014-06-18
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural and biochemical characterization of the folyl-poly-gamma-l-glutamate hydrolyzing activity of human glutamate carboxypeptidase II.
Febs J., 281, 2014
4MCP
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BU of 4mcp by Molmil
A high resolution structure of human glutamate carboxypeptidase II (GCPII) in complex with folyl-gamma-L-glutamic acid (pteroyldi-gamma-L-glutamic acid)
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Navratil, M, Barinka, C, Lubkowski, J.
登録日2013-08-21
公開日2014-06-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and biochemical characterization of the folyl-poly-gamma-l-glutamate hydrolyzing activity of human glutamate carboxypeptidase II.
Febs J., 281, 2014
4MCQ
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BU of 4mcq by Molmil
A high resolution structure of human glutamate carboxypeptidase II (GCPII) in complex with folyldi-gamma-L-glutamic acid (pteroyltri-gamma-L-glutamic acid)
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Navratil, M, Barinka, C.
登録日2013-08-21
公開日2014-06-18
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and biochemical characterization of the folyl-poly-gamma-l-glutamate hydrolyzing activity of human glutamate carboxypeptidase II.
Febs J., 281, 2014
6GXB
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BU of 6gxb by Molmil
Carbonic Anhydrase CAIX mimic in complex with inhibitor JS13
分子名称: Carbonic anhydrase 2, ZINC ION, ~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide
著者Brynda, J, Rezacova, P, Pospisilova, K.
登録日2018-06-27
公開日2019-05-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Inhibitor-Polymer Conjugates as a Versatile Tool for Detection and Visualization of Cancer-Associated Carbonic Anhydrase Isoforms
Acs Omega, 4, 2019
6GXE
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BU of 6gxe by Molmil
Carbonic Anhydrase CAIX mimic in complex with inhibitor JS14
分子名称: 3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Brynda, J, Rezacova, P, Pospisilova, K.
登録日2018-06-27
公開日2019-05-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Inhibitor-Polymer Conjugates as a Versatile Tool for Detection and Visualization of Cancer-Associated Carbonic Anhydrase Isoforms
Acs Omega, 2019
1RGE
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BU of 1rge by Molmil
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
1RGH
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BU of 1rgh by Molmil
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
1RSN
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BU of 1rsn by Molmil
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
1RGF
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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
1RGG
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BU of 1rgg by Molmil
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
8RMO
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BU of 8rmo by Molmil
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
7NUG
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BU of 7nug by Molmil
Influenza A/California/07/2009(H1N1) endonuclease in complex with orientin
分子名称: 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, DI(HYDROXYETHYL)ETHER, ...
著者Radilova, K, Brynda, J.
登録日2021-03-12
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis and In Vitro Evaluation of C-7 and C-8 Luteolin Derivatives as Influenza Endonuclease Inhibitors.
Int J Mol Sci, 22, 2021
7NUH
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BU of 7nuh by Molmil
Influenza A/California/07/2009(H1N1) endonuclease with I38T mutation in complex with orientin
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Radilova, K, Brynda, J.
登録日2021-03-12
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synthesis and In Vitro Evaluation of C-7 and C-8 Luteolin Derivatives as Influenza Endonuclease Inhibitors.
Int J Mol Sci, 22, 2021
6YA5
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BU of 6ya5 by Molmil
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
6YEM
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BU of 6yem by Molmil
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
7AS0
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BU of 7as0 by Molmil
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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