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2DM5
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BU of 2dm5 by Molmil
Thermodynamic Penalty Arising From Burial of a Ligand Polar Group Within a Hydrophobic Pocket of a Protein Receptor
分子名称: CADMIUM ION, Major Urinary Protein, OCTANE-1,8-DIOL
著者Barratt, E, Bronowska, A, Vondrasek, J, Bingham, R, Phillips, S, Homans, S.W.
登録日2006-04-20
公開日2006-10-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Thermodynamic penalty arising from burial of a ligand polar group within a hydrophobic pocket of a protein receptor
J.Mol.Biol., 362, 2006
2LUF
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BU of 2luf by Molmil
Retro Trp-cage peptide
分子名称: Retro Trp-cage peptide
著者Bathula, S, Sklenar, V, Zidek, L, Vondrasek, J, Vymetal, J.
登録日2012-06-13
公開日2013-06-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献All ingredients still do not guarantee a taste. Can we predict a fold of retro peptides or proteins? The retro Trp-cage model case.
To be Published
1IZH
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BU of 1izh by Molmil
Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants
分子名称: proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER
著者Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J.
登録日2002-10-02
公開日2002-12-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains
J.MOL.BIOL., 324, 2002
1IZI
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BU of 1izi by Molmil
Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants
分子名称: CHLORIDE ION, proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER
著者Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J.
登録日2002-10-02
公開日2002-12-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains
J.MOL.BIOL., 324, 2002
7ZBS
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BU of 7zbs by Molmil
Solution NMR structure of the HTH_8cm consensus miniprotein in 30% TFE at 278K
分子名称: HTH_8cm
著者Socha, O, Jakubec, D.
登録日2022-03-24
公開日2022-04-06
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Consensus design of structured miniproteins using spectral analysis of domain residue interaction networks
To Be Published
4I05
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BU of 4i05 by Molmil
Structure of intermediate processing form of cathepsin B1 from Schistosoma mansoni
分子名称: Cathepsin B-like peptidase (C01 family), SODIUM ION
著者Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M.
登録日2012-11-16
公開日2014-02-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Activation route of the Schistosoma mansoni cathepsin B1 drug target: structural map with a glycosaminoglycan switch
Structure, 22, 2014
4I04
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BU of 4i04 by Molmil
Structure of zymogen of cathepsin B1 from Schistosoma mansoni
分子名称: 1,2-ETHANEDIOL, Cathepsin B-like peptidase (C01 family)
著者Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M.
登録日2012-11-16
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Activation route of the Schistosoma mansoni cathepsin B1 drug target: structural map with a glycosaminoglycan switch
Structure, 22, 2014
4I07
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BU of 4i07 by Molmil
Structure of mature form of cathepsin B1 from Schistosoma mansoni
分子名称: ACETATE ION, CHLORIDE ION, Cathepsin B-like peptidase (C01 family)
著者Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M.
登録日2012-11-16
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Activation route of the Schistosoma mansoni cathepsin B1 drug target: structural map with a glycosaminoglycan switch
Structure, 22, 2014
5N71
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BU of 5n71 by Molmil
CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1)
分子名称: DI(HYDROXYETHYL)ETHER, Putative cathepsin d, SULFATE ION
著者Brynda, J, Hanova, I, Hobizalova, R, Mares, M.
登録日2017-02-17
公開日2017-12-27
最終更新日2018-03-28
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
5N7Q
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BU of 5n7q by Molmil
CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE INHIBITOR PEPSTATIN A
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, PEPSTATIN A, ...
著者Brynda, J, Hanova, I, Hobizalova, R, Mares, M.
登録日2017-02-21
公開日2017-12-27
最終更新日2018-06-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
5N70
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BU of 5n70 by Molmil
CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE N-TERMINAL OCTAPEPTIDE OF THE PROPEPTID
分子名称: ALA-PHE-ARG-ILE-PRO-LEU-THR-ARG, Putative cathepsin d
著者Brynda, J, Hanova, I, Hobizalova, R, Mares, M.
登録日2017-02-17
公開日2017-12-27
最終更新日2018-03-28
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018
5N7N
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BU of 5n7n by Molmil
CRYSTAL STRUCTURE OF CATHEPSIN D ZYMOGEN FROM THE TICK IXODES RICINUS (IRCD1)
分子名称: AMMONIUM ION, Putative cathepsin d, SULFATE ION
著者Brynda, J, Hanova, I, Hobizalova, R, Mares, M.
登録日2017-02-21
公開日2017-12-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018

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件を2024-11-06に公開中

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