1W6I
 
 | | plasmepsin II-pepstatin A complex | | Descriptor: | PEPSTATIN, PLASMEPSIN 2 PRECURSOR | | Authors: | Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T. | | Deposit date: | 2004-08-18 | | Release date: | 2006-07-05 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design
To be Published
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1W6H
 | | Novel plasmepsin II-inhibitor complex | | Descriptor: | N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-L-VALYL]AMINO}PENTANOYL)-L-ALANYL-L-LEUCINAMIDE, PLASMEPSIN 2 | | Authors: | Lindberg, J, Johansson, P.-O, Rosenquist, A, Kvarnstroem, I, Vrang, L, Samuelsson, B, Unge, T. | | Deposit date: | 2004-08-18 | | Release date: | 2006-07-05 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structural Study of a Novel Inhibitor with Bulky P1 Side Chain in Complex with Plasmepsin II -Implications for Drug Design
To be Published
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1W51
 | | BACE (Beta Secretase) in complex with a nanomolar non-peptidic inhibitor | | Descriptor: | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE, BETA-SECRETASE 1, IODIDE ION | | Authors: | Patel, S, Vuillard, L, Cleasby, A, Murray, C.W, Yon, J. | | Deposit date: | 2004-08-04 | | Release date: | 2004-09-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Apo and Inhibitor Complex Structures of Bace (Beta-Secretase)
J.Mol.Biol., 343, 2004
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1W50
 | | Apo Structure of BACE (Beta Secretase) | | Descriptor: | BETA-SECRETASE 1, IODIDE ION | | Authors: | Patel, S, Vuillard, L, Cleasby, A, Murray, C.W, Yon, J. | | Deposit date: | 2004-08-04 | | Release date: | 2004-09-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Apo and Inhibitor Complex Structures of Bace (Beta-Secretase)
J.Mol.Biol., 343, 2004
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1WKR
 | | Crystal structure of aspartic proteinase from Irpex lacteus | | Descriptor: | Polyporopepsin, SULFATE ION, pepstatin | | Authors: | Fujimoto, Z, Fujii, Y, Kaneko, S, Kobayashi, H, Mizuno, H. | | Deposit date: | 2004-06-02 | | Release date: | 2004-09-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal Structure of Aspartic Proteinase from Irpex lacteus in Complex with Inhibitor Pepstatin
J.Mol.Biol., 341, 2004
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1XE6
 | | Structure of plasmepsin II in complex of an pepstatin analogue | | Descriptor: | 5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-METHYL-2-[3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-PENTANOYLAMINO)-PROPIONYLAMINO]-PENTANOIC ACID, Plasmepsin 2 | | Authors: | Prade, L. | | Deposit date: | 2004-09-09 | | Release date: | 2005-08-23 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of plasmepsin II in complex of an pepstatin analogue
To be published
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1XDH
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1XE5
 | | Structure of plasmepsin II in complex of an pepstatin analogue | | Descriptor: | 5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-METHYL-2-[3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-PENTANOYLAMINO)-PROPIONYLAMINO]-PENTANOIC ACID METHYL ESTER, Plasmepsin 2 | | Authors: | Prade, L. | | Deposit date: | 2004-09-09 | | Release date: | 2005-08-23 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of plasmepsin II in complex of an pepstatin analogue
To be published
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1XN2
 | | New substrate binding pockets for beta-secretase. | | Descriptor: | Beta-secretase 1, OM03-4 | | Authors: | Turner III, R.T, Hong, L, Koelsch, G, Ghosh, A.K, Tang, J. | | Deposit date: | 2004-10-04 | | Release date: | 2005-03-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural locations and functional roles of new subsites S5, S6, and S7 in memapsin 2 (beta-secretase).
Biochemistry, 44, 2005
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1XN3
 | | Crystal structure of Beta-secretase bound to a long inhibitor with additional upstream residues. | | Descriptor: | Beta-secretase 1, Peptidic inhibitor | | Authors: | Turner III, R.T, Hong, L, Koelsch, G, Ghosh, A.K, Tang, J. | | Deposit date: | 2004-10-04 | | Release date: | 2005-03-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural locations and functional roles of new subsites S5, S6, and S7 in memapsin 2 (beta-secretase).
Biochemistry, 44, 2005
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1XS7
 | | Crystal Structure of a cycloamide-urethane-derived novel inhibitor bound to human brain memapsin 2 (beta-secretase). | | Descriptor: | Beta-secretase 1, N-[(4S,5S,7R)-8-({(S)-1-[(BENZYLAMINO)OXOMETHYL]-2-METHYLPROPYL}AMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXO-OCT-4-YL]-(4S,7S)-4 -ISOPROPYL-2,5,9-TRIOXO-1-OXA-3,6,10-TRIAZACYCLOHEXADECANE-7-CARBOXAMIDE | | Authors: | Ghosh, A, Devasamudram, T, Hong, L, DeZutter, C, Xu, X, Weerasena, V, Koelsch, G, Bilcer, G, Tang, J. | | Deposit date: | 2004-10-18 | | Release date: | 2004-12-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-based design of cycloamide-urethane-derived novel inhibitors of human brain memapsin 2 (beta-secretase).
Bioorg.Med.Chem.Lett., 15, 2005
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1YG9
 | | The structure of mutant (N93Q) of bla g 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Aspartic protease Bla g 2, ... | | Authors: | Li, M, Gustchina, A, Wuenschmann, S, Pomes, A, Wlodawer, A. | | Deposit date: | 2005-01-04 | | Release date: | 2005-03-22 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of cockroach allergen Bla g 2, an unusual zinc binding aspartic protease with a novel mode of self-inhibition.
J.Mol.Biol., 348, 2005
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1GVX
 | | Endothiapepsin complexed with H256 | | Descriptor: | ENDOTHIAPEPSIN, INHIBITOR H256, SULFATE ION | | Authors: | Coates, L, Erskine, P.T, Crump, M.P, Wood, S.P, Cooper, J.B. | | Deposit date: | 2002-02-27 | | Release date: | 2002-07-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism
J.Mol.Biol., 318, 2002
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1HRN
 | | HIGH RESOLUTION CRYSTAL STRUCTURES OF RECOMBINANT HUMAN RENIN IN COMPLEX WITH POLYHYDROXYMONOAMIDE INHIBITORS | | Descriptor: | (2R,4S,5S)-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenylhexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, RENIN | | Authors: | Tong, L, Anderson, P.C. | | Deposit date: | 1995-03-31 | | Release date: | 1995-06-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High resolution crystal structures of recombinant human renin in complex with polyhydroxymonoamide inhibitors.
J.Mol.Biol., 250, 1995
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1IBQ
 | | ASPERGILLOPEPSIN FROM ASPERGILLUS PHOENICIS | | Descriptor: | ASPERGILLOPEPSIN, ZINC ION, alpha-D-mannopyranose | | Authors: | Cho, S.W, Shin, W. | | Deposit date: | 2001-03-28 | | Release date: | 2001-07-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structure of aspergillopepsin I from Aspergillus phoenicis: variations of the S1'-S2 subsite in aspartic proteinases.
Acta Crystallogr.,Sect.D, 57, 2001
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1J71
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1IZE
 | | Crystal structure of Aspergillus oryzae Aspartic proteinase complexed with pepstatin | | Descriptor: | Pepstatin, alpha-D-mannopyranose, aspartic proteinase | | Authors: | Kamitori, S, Ohtaki, A, Ino, H, Takeuchi, M. | | Deposit date: | 2002-10-02 | | Release date: | 2003-03-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of Aspergillus oryzae aspartic proteinase and its complex with an inhibitor pepstatin at 1.9A resolution.
J.Mol.Biol., 326, 2003
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1IZD
 | | Crystal structure of Aspergillus oryzae Aspartic Proteinase | | Descriptor: | Aspartic proteinase, alpha-D-mannopyranose | | Authors: | Kamitori, S, Ohtaki, A, Ino, H, Takeuchi, M. | | Deposit date: | 2002-10-02 | | Release date: | 2003-03-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structures of Aspergillus oryzae Aspartic Proteinase and its Complex with an Inhibitor Pepstatin at 1.9 A Resolution
J.Mol.Biol., 326, 2003
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1LF3
 | | CRYSTAL STRUCTURE OF PLASMEPSIN II FROM P FALCIPARUM IN COMPLEX WITH INHIBITOR EH58 | | Descriptor: | N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE, plasmepsin 2 | | Authors: | Asojo, O.A, Gulnik, S.V, Afonina, E, Yu, B, Ellman, J.A, Haque, T.S, Silva, A.M. | | Deposit date: | 2002-04-10 | | Release date: | 2002-10-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Novel uncomplexed and complexed structures of plasmepsin II, an aspartic protease from Plasmodium falciparum.
J.Mol.Biol., 327, 2003
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1LEE
 | | CRYSTAL STRUCTURE OF PLASMEPSIN FROM P. FALCIPARUM IN COMPLEX WITH INHIBITOR RS367 | | Descriptor: | 4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-5-PHENYL-PENTYL}-BENZAMIDE, Plasmepsin 2 | | Authors: | Asojo, O.A, Afonina, E, Gulnik, S.V, Yu, B, Erickson, J.W, Randad, R, Mehadjed, D, Silva, A.M. | | Deposit date: | 2002-04-09 | | Release date: | 2002-10-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of Ser205 mutant plasmepsin II from Plasmodium falciparum at 1.8 A in complex with the inhibitors rs367 and rs370.
Acta Crystallogr.,Sect.D, 58, 2002
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1LF4
 | | STRUCTURE OF PLASMEPSIN II | | Descriptor: | Plasmepsin 2 | | Authors: | Asojo, O.A, Gulnik, S.V, Afonina, E, Yu, B, Ellman, J.A, Haque, T.S, Silva, A.M. | | Deposit date: | 2002-04-10 | | Release date: | 2002-10-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Novel uncomplexed and complexed structures of plasmepsin II, an aspartic protease from Plasmodium falciparum.
J.Mol.Biol., 327, 2003
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1LF2
 | | CRYSTAL STRUCTURE OF PLASMEPSIN II FROM P FALCIPARUM IN COMPLEX WITH INHIBITOR RS370 | | Descriptor: | 3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-5-PHENYL-PENTYL}-BENZAMIDE, Plasmepsin 2 | | Authors: | Asojo, O.A, Afonina, E, Gulnik, S.V, Yu, B, Erickson, J.W, Randad, R, Mehadjed, D, Silva, A.M. | | Deposit date: | 2002-04-10 | | Release date: | 2002-10-10 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of Ser205 mutant plasmepsin II from Plasmodium falciparum at 1.8 A in complex with the inhibitors rs367 and rs370.
Acta Crystallogr.,Sect.D, 58, 2002
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1LS5
 | | Crystal structure of plasmepsin IV from P. falciparum in complex with pepstatin A | | Descriptor: | Pepstatin, plasmepsin IV | | Authors: | Asojo, O.A, Gulnik, S.V, Afonina, E, Yu, B, Ellman, J.A, Haque, T.S, Silva, A.M. | | Deposit date: | 2002-05-16 | | Release date: | 2002-06-12 | | Last modified: | 2013-02-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Novel uncomplexed and complexed structures of plasmepsin II, an aspartic protease from Plasmodium falciparum.
J.Mol.Biol., 327, 2003
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1LYB
 | | CRYSTAL STRUCTURES OF NATIVE AND INHIBITED FORMS OF HUMAN CATHEPSIN D: IMPLICATIONS FOR LYSOSOMAL TARGETING AND DRUG DESIGN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CATHEPSIN D, PEPSTATIN, ... | | Authors: | Baldwin, E.T, Bhat, T.N, Gulnik, S, Erickson, J.W. | | Deposit date: | 1993-04-22 | | Release date: | 1994-01-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of native and inhibited forms of human cathepsin D: implications for lysosomal targeting and drug design.
Proc.Natl.Acad.Sci.USA, 90, 1993
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1M43
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