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1M43
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BU of 1m43 by Molmil
Crystal structure of PMII in complex with pepstatin a to 2.4 A
Descriptor: Pepstatin, plasmepsin II
Authors:Asojo, O.A, Silva, A.M, Gulnik, S.
Deposit date:2002-07-02
Release date:2002-07-24
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Novel uncomplexed and complex structures of PM II, an aspartic protease from P. falciparum
To be Published
2ZJN
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BU of 2zjn by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(2-methyl-4-sulfamoyl-phenoxy)-acetamide
Descriptor: Beta-secretase 1, N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide
Authors:Randal, M, Lam, M.B, Fahr, B.T, Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
1M4H
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BU of 1m4h by Molmil
Crystal Structure of Beta-secretase complexed with Inhibitor OM00-3
Descriptor: Inhibitor OM00-3, beta-Secretase
Authors:Hong, L, Turner, R.T, Koelsch, G, Ghosh, A.K, Tang, J.
Deposit date:2002-07-02
Release date:2002-08-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Memapsin 2 (beta-Secretase) in Complex with Inhibitor OM00-3
Biochemistry, 41, 2002
2ZHT
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BU of 2zht by Molmil
Crystal structure of BACE1 at pH 4.5
Descriptor: Beta-secretase 1
Authors:Shimizu, H, Nukina, N.
Deposit date:2008-02-08
Release date:2008-04-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of an active form of BACE1, an enzyme responsible for amyloid beta protein production
Mol.Cell.Biol., 28, 2008
2ZJH
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BU of 2zjh by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-(1-benzyl-piperidin-4-yl)-4-mercapto-butyramide
Descriptor: Beta-secretase 1, N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
Authors:Randal, M, Lam, M.B, Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
1OEX
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BU of 1oex by Molmil
Atomic Resolution Structure of Endothiapepsin in Complex with a Hydroxyethylene Transition State Analogue Inhibitor H261
Descriptor: ENDOTHIAPEPSIN, GLYCEROL, INHIBITOR H261, ...
Authors:Coates, L, Erskine, P.T, Mall, S, Gill, R.S, Wood, S.P, Myles, D.A.A, Cooper, J.B.
Deposit date:2003-03-31
Release date:2003-04-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Atomic Resolution Analysis of the Catalytic Site of an Aspartic Proteinase and an Unexpected Mode of Binding by Short Peptides
Protein Sci., 12, 2003
1OEW
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BU of 1oew by Molmil
ATOMIC RESOLUTION STRUCTURE OF NATIVE ENDOTHIAPEPSIN
Descriptor: ENDOTHIAPEPSIN, GLYCEROL, SERINE, ...
Authors:Coates, L, Erskine, P.T, Mall, S, Gill, R.S, Wood, S.P, Myles, D.A.A, Cooper, J.B.
Deposit date:2003-03-31
Release date:2003-04-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Atomic Resolution Analysis of the Catalytic Site of an Aspartic Proteinase and an Unexpected Mode of Binding by Short Peptides
Protein Sci., 12, 2003
1LYA
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BU of 1lya by Molmil
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, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Baldwin, E.T, Bhat, T.N, Gulnik, S, Erickson, J.W.
Deposit date:1993-04-22
Release date:1994-01-31
Last modified:2020-07-29
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
1OD1
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BU of 1od1 by Molmil
Endothiapepsin PD135,040 complex
Descriptor: 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
Authors:Coates, L, Erskine, P.T, Mall, S, Gill, R.S, Wood, S.P, Cooper, J.B.
Deposit date:2003-02-12
Release date:2003-06-12
Last modified:2012-11-30
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:The Structure of Endothiapepsin Complexed with the Gem-Diol Inhibitor Pd-135,040 at 1.37 A
Acta Crystallogr.,Sect.D, 59, 2003
2ZJK
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BU of 2zjk by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(3-mercapto-propyl)-amide
Descriptor: (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide, Beta-secretase 1
Authors:Randal, M, Lam, M.B, Lu, W, Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
1PFZ
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BU of 1pfz by Molmil
PROPLASMEPSIN II FROM PLASMODIUM FALCIPARUM
Descriptor: GLYCEROL, PROPLASMEPSIN II
Authors:Bernstein, N.K, Cherney, M.M, Loetscher, H, Ridley, R.G, James, M.N.G.
Deposit date:1998-07-07
Release date:1999-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of the novel aspartic proteinase zymogen proplasmepsin II from plasmodium falciparum.
Nat.Struct.Biol., 6, 1999
2ZHR
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BU of 2zhr by Molmil
Crystal structure of BACE1 in complex with OM99-2 at pH 5.0
Descriptor: Beta-secretase 1, inhibitor OM99-2
Authors:Shimizu, H, Nukina, N.
Deposit date:2008-02-08
Release date:2008-04-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of an active form of BACE1, an enzyme responsible for amyloid beta protein production
Mol.Cell.Biol., 28, 2008
2ZJI
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BU of 2zji by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(2,6-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide
Descriptor: Beta-secretase 1, N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
Authors:Randal, M, Lam, M.B, Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
1MIQ
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BU of 1miq by Molmil
Crystal structure of proplasmepsin from the human malarial pathogen Plasmodium vivax
Descriptor: plasmepsin
Authors:Bernstein, N.K, Cherney, M.M, Yowell, C.A, Dame, J.B, James, M.N.
Deposit date:2002-08-23
Release date:2002-09-18
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the activation of P. vivax plasmepsin.
J.Mol.Biol., 329, 2003
3APR
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BU of 3apr by Molmil
BINDING OF A REDUCED PEPTIDE INHIBITOR TO THE ASPARTIC PROTEINASE FROM RHIZOPUS CHINENSIS. IMPLICATIONS FOR A MECHANISM OF ACTION
Descriptor: REDUCED PEPTIDE INHIBITOR, RHIZOPUSPEPSIN
Authors:Suguna, K, Davies, D.R.
Deposit date:1987-06-22
Release date:1988-01-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding of a reduced peptide inhibitor to the aspartic proteinase from Rhizopus chinensis: implications for a mechanism of action.
Proc.Natl.Acad.Sci.USA, 84, 1987
1PPL
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BU of 1ppl by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF TRANSITION-STATE MIMICS BOUND TO PENICILLOPEPSIN: PHOSPHORUS-CONTAINING PEPTIDE ANALOGUES
Descriptor: N-(3-methylbutanoyl)-L-valyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-L- valinamide, PENICILLOPEPSIN, SULFATE ION, ...
Authors:Fraser, M.E, James, M.N.G.
Deposit date:1992-06-01
Release date:1993-10-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallographic analysis of transition-state mimics bound to penicillopepsin: phosphorus-containing peptide analogues.
Biochemistry, 31, 1992
1MPP
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BU of 1mpp by Molmil
X-RAY ANALYSES OF ASPARTIC PROTEINASES. V. STRUCTURE AND REFINEMENT AT 2.0 ANGSTROMS RESOLUTION OF THE ASPARTIC PROTEINASE FROM MUCOR PUSILLUS
Descriptor: PEPSIN, SULFATE ION
Authors:Newman, M, Watson, F, Roychowdhury, P, Jones, H, Badasso, M, Cleasby, A, Wood, S.P, Tickle, I.J, Blundell, T.L.
Deposit date:1992-02-19
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray analyses of aspartic proteinases. V. Structure and refinement at 2.0 A resolution of the aspartic proteinase from Mucor pusillus.
J.Mol.Biol., 230, 1993
1ME6
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BU of 1me6 by Molmil
CRYSTAL STRUCTURE OF PLASMEPSIN II, AN ASPARTYL PROTEASE FROM PLASMODIUM FALCIPARUM, IN COMPLEX WITH A STATINE-BASED INHIBITOR
Descriptor: 3-HYDROXY-6-METHYL-4-(3-METHYL-2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER, Plasmepsin II
Authors:Freire, E, Nezami, A.G, Amzel, L.M.
Deposit date:2002-08-08
Release date:2004-01-20
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CRYSTAL STRUCTURE OF PLASMEPSIN II, AN ASPARTYL PROTEASE FROM PLASMODIUM FALCIPARUM, IN COMPLEX WITH A STATINE-BASED INHIBITOR
TO BE PUBLISHED
2ZE1
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BU of 2ze1 by Molmil
X-ray structure of Bace-1 in complex with compound 6g
Descriptor: 3-bromo-N-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide, Beta-secretase 1
Authors:Chopra, R, Olland, A.
Deposit date:2007-12-05
Release date:2008-12-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets.
Bioorg.Med.Chem.Lett., 18, 2008
1PPK
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BU of 1ppk by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF TRANSITION STATE MIMICS BOUND TO PENICILLOPEPSIN: PHOSPHOROUS-CONTAINING PEPTIDE ANALOGUES
Descriptor: DIMETHYLFORMAMIDE, N-(3-methylbutanoyl)-L-valyl-N-{(1R)-1-[(R)-(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-3-methylbutyl}-L-valinamide, PENICILLOPEPSIN, ...
Authors:Strynadka, N.C.J, James, M.N.G.
Deposit date:1994-01-20
Release date:1994-05-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic analysis of transition-state mimics bound to penicillopepsin: phosphorus-containing peptide analogues.
Biochemistry, 31, 1992
2ZJJ
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BU of 2zjj by Molmil
Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid (2-mercapto-ethyl)-amide
Descriptor: (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide, Beta-secretase 1
Authors:Randal, M, Lam, M.B, Romanowski, M.J.
Deposit date:2008-03-07
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
1LYW
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BU of 1lyw by Molmil
CATHEPSIN D AT PH 7.5
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CATHEPSIN D
Authors:Lee, A.Y, Gulnik, S.V, Erickson, J.W.
Deposit date:1998-06-30
Release date:1999-07-22
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conformational switching in an aspartic proteinase.
Nat.Struct.Biol., 5, 1998
3APP
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BU of 3app by Molmil
STRUCTURE AND REFINEMENT OF PENICILLOPEPSIN AT 1.8 ANGSTROMS RESOLUTION
Descriptor: PENICILLOPEPSIN
Authors:Sielecki, A.R, James, M.N.G.
Deposit date:1990-11-27
Release date:1991-01-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and refinement of penicillopepsin at 1.8 A resolution.
J.Mol.Biol., 163, 1983
1PPM
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BU of 1ppm by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF TRANSITION-STATE MIMICS BOUND TO PENICILLOPEPSIN: PHOSPHORUS-CONTAINING PEPTIDE ANALOGUES
Descriptor: N-[(benzyloxy)carbonyl]-L-alanyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl }-L-alaninamide, PENICILLOPEPSIN, SULFATE ION, ...
Authors:Fraser, M.E, James, M.N.G.
Deposit date:1992-06-01
Release date:1993-10-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallographic analysis of transition-state mimics bound to penicillopepsin: phosphorus-containing peptide analogues.
Biochemistry, 31, 1992
1PSA
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BU of 1psa by Molmil
STRUCTURE OF A PEPSIN(SLASH)RENIN INHIBITOR COMPLEX REVEALS A NOVEL CRYSTAL PACKING INDUCED BY MINOR CHEMICAL ALTERATIONS IN THE INHIBITOR
Descriptor: N-(ethoxycarbonyl)-L-leucyl-N-[(1R,2S,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-L-leucinamide, PEPSIN A
Authors:Chen, L, Abad-Zapatero, C.
Deposit date:1991-10-22
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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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