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3CH3
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Crystal Structure Analysis of SERA5E from plasmodium falciparum
分子名称: DIHYDROGENPHOSPHATE ION, POTASSIUM ION, Serine-repeat antigen protein
著者Smith, B.J, Malby, R.L, Colman, P.M, Clarke, O.B.
登録日2008-03-07
公開日2008-03-25
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural Insights into the Protease-like Antigen Plasmodium falciparum SERA5 and Its Noncanonical Active-Site Serine
J.Mol.Biol., 392, 2009
3CH2
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Crystal Structure Analysis of SERA5E from plasmodium falciparum
分子名称: CALCIUM ION, Serine-repeat antigen protein
著者Smith, B.J, Malby, R.L, Colman, P.M, Clarke, O.B.
登録日2008-03-07
公開日2008-03-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Insights into the Protease-like Antigen Plasmodium falciparum SERA5 and Its Noncanonical Active-Site Serine
J.Mol.Biol., 392, 2009
2P7U
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The crystal structure of rhodesain, the major cysteine protease of T. brucei rhodesiense, bound to inhibitor K777
分子名称: Cysteine protease, NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE
著者Brinen, L.S, Marion, R.
登録日2007-03-20
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Vinyl sulfones as antiparasitic agents and a structural basis for drug design.
J.Biol.Chem., 284, 2009
2P86
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The high resolution crystal structure of rhodesain, the major cathepsin L protease from T. brucei rhodesiense, bound to inhibitor K11002
分子名称: 1,2-ETHANEDIOL, 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE, Cysteine protease
著者Brinen, L.S, Marion, R.
登録日2007-03-21
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献THE high resolution structure of rhodesain, the major cathepsin L protease from trypanosoma brucei rhodesiense, illustrates the basis for differences in inhibition profiles from other papain family cysteine proteases
To be Published
3CBK
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chagasin-cathepsin B
分子名称: Cathepsin B, Chagasin
著者Redzynia, I, Bujacz, G.D, Abrahamson, M, Ljunggren, A, Jaskolski, M, Mort, J.S.
登録日2008-02-22
公開日2008-05-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Displacement of the occluding loop by the parasite protein, chagasin, results in efficient inhibition of human cathepsin B.
J.Biol.Chem., 283, 2008
3CBJ
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Chagasin-Cathepsin B complex
分子名称: Cathepsin B, Chagasin, PHOSPHATE ION
著者Redzynia, I, Bujacz, G.D, Abrahamson, M, Ljunggren, A, Jaskolski, M, Mort, J.S.
登録日2008-02-22
公開日2008-05-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Displacement of the occluding loop by the parasite protein, chagasin, results in efficient inhibition of human cathepsin B.
J.Biol.Chem., 283, 2008
3C9E
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Crystal structure of the cathepsin K : chondroitin sulfate complex.
分子名称: 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid, CALCIUM ION, Cathepsin K, ...
著者Kienetz, M, Cherney, M.M, James, M.N.G, Bromme, D.
登録日2008-02-15
公開日2008-08-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal and molecular structures of a cathepsin K:chondroitin sulfate complex.
J.Mol.Biol., 383, 2008
3F75
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Activated Toxoplasma gondii cathepsin L (TgCPL) in complex with its propeptide
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2008-11-07
公開日2008-11-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Toxoplasma gondii cathepsin L is the primary target of the invasion-inhibitory compound morpholinurea-leucyl-homophenyl-vinyl sulfone phenyl.
J.Biol.Chem., 284, 2009
3BPF
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BU of 3bpf by Molmil
Crystal Structure of Falcipain-2 with Its inhibitor, E64
分子名称: Cysteine protease falcipain-2, GLYCEROL, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
著者kerr, I.D, Lee, J.H, Brinen, L.S.
登録日2007-12-18
公開日2008-12-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of falcipain-2 and falcipain-3 bound to small molecule inhibitors: implications for substrate specificity.
J.Med.Chem., 52, 2009
3BPM
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Crystal Structure of Falcipain-3 with Its inhibitor, Leupeptin
分子名称: Cysteine protease falcipain-3, Leupeptin, SULFATE ION
著者kerr, I.D, Lee, J.H, Brinen, L.S.
登録日2007-12-18
公開日2008-12-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of falcipain-2 and falcipain-3 bound to small molecule inhibitors: implications for substrate specificity.
J.Med.Chem., 52, 2009
3BWK
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Crystal Structure of Falcipain-3 with Its inhibitor, K11017
分子名称: Cysteine protease falcipain-3, N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide, SULFATE ION
著者Kerr, I, Lee, J.H, Brinen, L.S.
登録日2008-01-09
公開日2009-01-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Vinyl sulfones as antiparasitic agents and a structural basis for drug design.
J.Biol.Chem., 284, 2009
3E1Z
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BU of 3e1z by Molmil
Crystal structure of the parasite protesase inhibitor chagasin in complex with papain
分子名称: ACETIC ACID, Chagasin, FORMIC ACID, ...
著者Redzynia, I, Bujacz, G, Bujacz, A, Ljunggren, A, Abrahamson, M, Jaskolski, M.
登録日2008-08-05
公開日2009-01-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structure of the parasite inhibitor chagasin in complex with papain allows identification of structural requirements for broad reactivity and specificity determinants for target proteases.
Febs J., 276, 2009
3F5V
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C2 Crystal form of mite allergen DER P 1
分子名称: CALCIUM ION, Der p 1 allergen, HEXAETHYLENE GLYCOL
著者Stura, E.A, Minor, W, Chruszcz, M, Saint Remy, J.M.
登録日2008-11-04
公開日2009-02-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Crystal structures of mite allergens Der f 1 and Der p 1 reveal differences in surface-exposed residues that may influence antibody binding.
J.Mol.Biol., 386, 2009
2WBF
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BU of 2wbf by Molmil
Crystal Structure Analysis of SERA5E from plasmodium falciparum with loop 690-700 ordered
分子名称: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Smith, B.J, Malby, R.L, Colman, P.M, Clarke, O.B.
登録日2009-02-27
公開日2009-03-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the protease-like antigen Plasmodium falciparum SERA5 and its noncanonical active-site serine.
J. Mol. Biol., 392, 2009
3HHA
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Crystal structure of cathepsin L in complex with AZ12878478
分子名称: ACETATE ION, Cathepsin L1, GLYCEROL, ...
著者Asaad, N, Bethel, P.A, Coulson, M.D, Dawson, J, Ford, S.J, Gerhardt, S, Grist, M, Hamlin, G.A, James, M.J, Jones, E.V, Karoutchi, G.I, Kenny, P.W, Morley, A.D, Oldham, K, Rankine, N, Ryan, D, Wells, S.L, Wood, L, Augustin, M, Krapp, S, Simader, H, Steinbacher, S.
登録日2009-05-15
公開日2009-06-23
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Dipeptidyl nitrile inhibitors of Cathepsin L.
Bioorg.Med.Chem.Lett., 19, 2009
3HWN
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CATHEPSIN L with AZ13010160
分子名称: Cathepsin L1, Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2E)-2-iminoethyl]-3-{5-[(Z)-iminomethyl]-1,3,4-oxadiazol-2-yl}-L-phenylalaninamide
著者Kenny, P, Morley, A.
登録日2009-06-18
公開日2009-09-15
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Design of selective Cathepsin inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
3HD3
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High resolution crystal structure of cruzain bound to the vinyl sulfone inhibitor SMDC-256047
分子名称: (1R,2R)-2-[(4-chlorophenyl)carbonyl]-N-{(1S)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide, 1,2-ETHANEDIOL, Cruzipain, ...
著者Kerr, I.D, Debnath, M, Brinen, L.S.
登録日2009-05-06
公開日2009-10-06
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Novel non-peptidic vinylsulfones targeting the S2 and S3 subsites of parasite cysteine proteases.
Bioorg.Med.Chem.Lett., 19, 2009
3IEJ
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Pyrazole-based Cathepsin S Inhibitors with Arylalkynes as P1 Binding Elements
分子名称: 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol, Cathepsin S
著者Bembenek, S.
登録日2009-07-22
公開日2009-10-06
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Pyrazole-based cathepsin S inhibitors with arylalkynes as P1 binding elements.
Bioorg.Med.Chem.Lett., 19, 2009
3H6S
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Structure of clitocypin - cathepsin V complex
分子名称: Cathepsin L2, Clitocypin analog, SULFATE ION
著者Renko, M, Sabotic, J, Brzin, J, Turk, D.
登録日2009-04-23
公開日2009-10-20
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Versatile loops in mycocypins inhibit three protease families.
J.Biol.Chem., 285, 2010
3H8B
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A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 9)
分子名称: Cathepsin L1, N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide
著者Tulsidas, S.R, Chowdhury, S.F, Kumar, S, Joseph, L, Purisima, E.O, Sivaraman, J.
登録日2009-04-29
公開日2009-10-20
最終更新日2014-02-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A combined crystallographic and molecular dynamics study of cathepsin L retrobinding inhibitors
J.Med.Chem., 52, 2009
3H89
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A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 4)
分子名称: Cathepsin L1, N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide
著者Tulsidas, S.R, Chowdhury, S.F, Kumar, S, Joseph, L, Purisima, E.O, Sivaraman, J.
登録日2009-04-29
公開日2009-10-20
最終更新日2014-02-05
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A combined crystallographic and molecular dynamics study of cathepsin L retrobinding inhibitors
J.Med.Chem., 52, 2009
3H8C
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A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors (compound 14)
分子名称: Cathepsin L1, N-(biphenyl-4-ylacetyl)-S-methyl-L-cysteinyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide
著者Tulsidas, S.R, Chowdhury, S.F, Kumar, S, Joseph, L, Purisima, E.O, Sivaraman, J.
登録日2009-04-29
公開日2009-10-20
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Combined Crystallographic and Molecular Dynamics Study of Cathepsin L Retrobinding Inhibitors
J.Med.Chem., 2009
3K9M
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Cathepsin B in complex with stefin A
分子名称: Cathepsin B, Cystatin-A
著者Renko, M, Turk, D.
登録日2009-10-16
公開日2009-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Stefin A displaces the occluding loop of cathepsin B only by as much as required to bind to the active site cleft
Febs J., 277, 2010
3I06
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Crystal structure of cruzain covalently bound to a purine nitrile
分子名称: 6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile, Cruzipain
著者Ferreira, R.S, Shoichet, B.K, McKerrow, J.H.
登録日2009-06-24
公開日2009-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Identification and optimization of inhibitors of trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB.
J.Med.Chem., 53, 2010
3IMA
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Complex structure of tarocystatin and papain
分子名称: ACETATE ION, Cysteine proteinase inhibitor, Papain
著者Chu, M.H, Liu, K.L, Yeh, K.W, Cheng, Y.S.
登録日2009-08-10
公開日2010-02-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal structure of tarocystatin-papain complex: implications for the inhibition property of group-2 phytocystatins.
Planta, 234, 2011

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