4ZE6
 
 | | Endothiapepsin in complex with fragment B39 | | 分子名称: | 1,2-ETHANEDIOL, 7-aminoheptanoic acid, ACETATE ION, ... | | 著者 | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | | 登録日 | 2015-04-20 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
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1OEX
 | | Atomic Resolution Structure of Endothiapepsin in Complex with a Hydroxyethylene Transition State Analogue Inhibitor H261 | | 分子名称: | ENDOTHIAPEPSIN, GLYCEROL, INHIBITOR H261, ... | | 著者 | Coates, L, Erskine, P.T, Mall, S, Gill, R.S, Wood, S.P, Myles, D.A.A, Cooper, J.B. | | 登録日 | 2003-03-31 | | 公開日 | 2003-04-02 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Atomic Resolution Analysis of the Catalytic Site of an Aspartic Proteinase and an Unexpected Mode of Binding by Short Peptides
Protein Sci., 12, 2003
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1BXO
 | | ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUT YL] HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL) PHENYLPROPANOATE | | 分子名称: | GLYCEROL, METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL)PHENYLPROPANOATE, PROTEIN (PENICILLOPEPSIN), ... | | 著者 | Khan, A.R, Parrish, J.C, Fraser, M.E, Smith, W.W, Bartlett, P.A, James, M.N.G. | | 登録日 | 1998-10-07 | | 公開日 | 1998-10-14 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | | 主引用文献 | Lowering the entropic barrier for binding conformationally flexible inhibitors to enzymes.
Biochemistry, 37, 1998
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1OEW
 | | ATOMIC RESOLUTION STRUCTURE OF NATIVE ENDOTHIAPEPSIN | | 分子名称: | ENDOTHIAPEPSIN, GLYCEROL, SERINE, ... | | 著者 | Coates, L, Erskine, P.T, Mall, S, Gill, R.S, Wood, S.P, Myles, D.A.A, Cooper, J.B. | | 登録日 | 2003-03-31 | | 公開日 | 2003-04-02 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (0.9 Å) | | 主引用文献 | Atomic Resolution Analysis of the Catalytic Site of an Aspartic Proteinase and an Unexpected Mode of Binding by Short Peptides
Protein Sci., 12, 2003
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1AM5
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4ZSQ
 | | BACE crystal structure with tricyclic aminothiazine inhibitor | | 分子名称: | Beta-secretase 1, GLYCEROL, N-[(4S,4aS,6S,8aR)-10-aminohexahydro-3H-4,8a-(epithiomethenoazeno)isochromen-6(1H)-yl]-3-chlorobenzamide | | 著者 | Timm, D.E. | | 登録日 | 2015-05-13 | | 公開日 | 2015-06-10 | | 最終更新日 | 2015-06-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
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1PPK
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1BXQ
 | | ACID PROTEINASE (PENICILLOPEPSIN) COMPLEX WITH PHOSPHONATE INHIBITOR. | | 分子名称: | 2-[(1R)-1-(N-(3-METHYLBUTANOYL)-L-VALYL-L-ASPARAGINYL)-AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOIC ACID METHYLESTER, ACETATE ION, GLYCEROL, ... | | 著者 | Parrish, J.C, Khan, A.R, Fraser, M.E, Smith, W.W, Bartlett, P.A, James, M.N.G. | | 登録日 | 1998-10-07 | | 公開日 | 1998-10-14 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Lowering the entropic barrier for binding conformationally flexible inhibitors to enzymes.
Biochemistry, 37, 1998
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4ZSR
 | | BACE crystal structure with tricyclic aminothiazine inhibitor | | 分子名称: | Beta-secretase 1, N-[(4aS,6S,8aR)-2-amino-5,6,7,8-tetrahydro-4a,8a-(methanooxymethano)-3,1-benzothiazin-6(4H)-yl]-3-chlorobenzamide | | 著者 | Timm, D.E. | | 登録日 | 2015-05-13 | | 公開日 | 2015-06-10 | | 最終更新日 | 2015-06-17 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
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4ZSP
 | | BACE crystal structure with bicyclic aminothiazine inhibitor | | 分子名称: | Beta-secretase 1, GLYCEROL, N-[(4aS,6S,8aR)-2-amino-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-6-yl]-3-chlorobenzamide | | 著者 | Timm, D.E. | | 登録日 | 2015-05-13 | | 公開日 | 2015-06-10 | | 最終更新日 | 2015-06-17 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
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5APR
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5CLM
 | | 1,4-Oxazine BACE1 inhibitors | | 分子名称: | Beta-secretase 1, CHLORIDE ION, IODIDE ION, ... | | 著者 | Rombouts, F, Tresadern, G, Delgado, O, Martinez Lamenca, C, Van Gool, M, Garcia-Molina, A, Alonso De Diego, S, Oehlrich, D, Prokopcova, H, Alonso, J.M, Austin, N, Borghys, H, Van Brandt, S, Surkyn, M, De Cleyn, M, Vos, A, Alexander, R, MacDonald, G, Moechars, D, Trabanco, A, Gijsen, H. | | 登録日 | 2015-07-16 | | 公開日 | 2015-09-30 | | 最終更新日 | 2015-11-04 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | 1,4-Oxazine beta-Secretase 1 (BACE1) Inhibitors: From Hit Generation to Orally Bioavailable Brain Penetrant Leads.
J.Med.Chem., 58, 2015
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1OD1
 | | Endothiapepsin PD135,040 complex | | 分子名称: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION | | 著者 | Coates, L, Erskine, P.T, Mall, S, Gill, R.S, Wood, S.P, Cooper, J.B. | | 登録日 | 2003-02-12 | | 公開日 | 2003-06-12 | | 最終更新日 | 2012-11-30 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | The Structure of Endothiapepsin Complexed with the Gem-Diol Inhibitor Pd-135,040 at 1.37 A
Acta Crystallogr.,Sect.D, 59, 2003
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1PSN
 | | THE CRYSTAL STRUCTURE OF HUMAN PEPSIN AND ITS COMPLEX WITH PEPSTATIN | | 分子名称: | PEPSIN 3A | | 著者 | Fujinaga, M, Chernaia, M.M, Tarasova, N, Mosimann, S.C, James, M.N.G. | | 登録日 | 1995-01-23 | | 公開日 | 1995-04-20 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of human pepsin and its complex with pepstatin.
Protein Sci., 4, 1995
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1PSO
 | | The crystal structure of human pepsin and its complex with pepstatin | | 分子名称: | PEPSIN 3A, PEPSTATIN | | 著者 | Fujinaga, M, Chernaia, M.M, Tarasova, N, Mosimann, S.C, James, M.N.G. | | 登録日 | 1995-01-23 | | 公開日 | 1995-04-20 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of human pepsin and its complex with pepstatin.
Protein Sci., 4, 1995
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5BWY
 | | Structure of proplasmepsin II from Plasmodium falciparum, Space Group P43212 | | 分子名称: | Plasmepsin-2 | | 著者 | Recacha, R, Akopjana, I, Tars, K, Jaudzems, K. | | 登録日 | 2015-06-08 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.644 Å) | | 主引用文献 | Crystal structure of Plasmodium falciparum proplasmepsin IV: the plasticity of proplasmepsins.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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1APT
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1BBS
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1CZI
 | | CHYMOSIN COMPLEX WITH THE INHIBITOR CP-113972 | | 分子名称: | CHYMOSIN, CP-113972 (NORSTATINE-S-METHYL CYSTEINE-IODO-PHENYLALANINE-PROLINE) | | 著者 | Groves, M.R, Dhanaraj, V, Pitts, J.E, Badasso, M, Hoover, D, Nugent, P, Blundell, T.L. | | 登録日 | 1997-01-15 | | 公開日 | 1997-04-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A 2.3 A resolution structure of chymosin complexed with a reduced bond inhibitor shows that the active site beta-hairpin flap is rearranged when compared with the native crystal structure.
Protein Eng., 11, 1998
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1PPM
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1PSA
 | | STRUCTURE OF A PEPSIN(SLASH)RENIN INHIBITOR COMPLEX REVEALS A NOVEL CRYSTAL PACKING INDUCED BY MINOR CHEMICAL ALTERATIONS IN THE INHIBITOR | | 分子名称: | N-(ethoxycarbonyl)-L-leucyl-N-[(1R,2S,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-L-leucinamide, PEPSIN A | | 著者 | Chen, L, Abad-Zapatero, C. | | 登録日 | 1991-10-22 | | 公開日 | 1994-01-31 | | 最終更新日 | 2017-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure of a pepsin/renin inhibitor complex reveals a novel crystal packing induced by minor chemical alterations in the inhibitor.
Acta Crystallogr.,Sect.B, 48, 1992
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4ZSM
 | | BACE crystal structure with bicyclic aminothiazine fragment | | 分子名称: | (4aS,8aR)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine, Beta-secretase 1, GLYCEROL | | 著者 | Timm, D.E. | | 登録日 | 2015-05-13 | | 公開日 | 2015-06-10 | | 最終更新日 | 2015-06-17 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
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1QRP
 | | Human pepsin 3A in complex with a phosphonate inhibitor IVA-VAL-VAL-LEU(P)-(O)PHE-ALA-ALA-OME | | 分子名称: | PEPSIN 3A, methyl N-[(2S)-2-({(S)-hydroxy[(1R)-3-methyl-1-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-L-alanyl-L-alaninate | | 著者 | Fujinaga, M, Cherney, M.M, Tarasova, N.I, Bartlett, P.A, Hanson, J.E, James, M.N.G. | | 登録日 | 1999-06-15 | | 公開日 | 1999-06-18 | | 最終更新日 | 2012-12-12 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Structural study of the complex between human pepsin and a phosphorus-containing peptidic -transition-state analog.
Acta Crystallogr.,Sect.D, 56, 2000
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1PPL
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1QS8
 | | Crystal structure of the P. vivax aspartic proteinase plasmepsin complexed with the inhibitor pepstatin A | | 分子名称: | ACETATE ION, PEPSTATIN A, PLASMEPSIN | | 著者 | Khazanovich Bernstein, N, Cherney, M.M, Yowell, C.A, Dame, J.B, James, M.N.G. | | 登録日 | 1999-06-25 | | 公開日 | 1999-07-07 | | 最終更新日 | 2013-02-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural insights into the activation of P. vivax plasmepsin.
J.Mol.Biol., 329, 2003
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