1SGZ
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1SME
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![BU of 1sme by Molmil](/molmil-images/mine/1sme) | PLASMEPSIN II, A HEMOGLOBIN-DEGRADING ENZYME FROM PLASMODIUM FALCIPARUM, IN COMPLEX WITH PEPSTATIN A | Descriptor: | PLASMEPSIN II, Pepstatin | Authors: | Silva, A.M, Lee, A.Y, Gulnik, S.V, Goldberg, D.E, Erickson, J.W. | Deposit date: | 1996-06-11 | Release date: | 1997-01-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure and inhibition of plasmepsin II, a hemoglobin-degrading enzyme from Plasmodium falciparum. Proc.Natl.Acad.Sci.USA, 93, 1996
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1TQF
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![BU of 1tqf by Molmil](/molmil-images/mine/1tqf) | Crystal structure of human Beta secretase complexed with inhibitor | Descriptor: | 3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}-5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE, Beta-secretase 1 | Authors: | Munshi, S, Chen, Z, Kuo, L. | Deposit date: | 2004-06-17 | Release date: | 2004-11-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of a small molecule nonpeptide active site beta-secretase inhibitor that displays a nontraditional binding mode for aspartyl proteases. J.Med.Chem., 47, 2004
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2G94
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![BU of 2g94 by Molmil](/molmil-images/mine/2g94) | Crystal structure of beta-secretase bound to a potent and highly selective inhibitor. | Descriptor: | Beta-secretase 1, N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE | Authors: | Hong, L, Ghosh, A, Tang, J. | Deposit date: | 2006-03-05 | Release date: | 2006-04-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors. J.Am.Chem.Soc., 128, 2006
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2G1O
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2G26
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![BU of 2g26 by Molmil](/molmil-images/mine/2g26) | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | Descriptor: | (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID, Renin | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | Deposit date: | 2006-02-15 | Release date: | 2006-06-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring BIOORG.MED.CHEM.LETT., 16, 2006
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2G27
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![BU of 2g27 by Molmil](/molmil-images/mine/2g27) | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | Descriptor: | METHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETATE, Renin | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | Deposit date: | 2006-02-15 | Release date: | 2006-06-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring BIOORG.MED.CHEM.LETT., 16, 2006
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2FS4
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![BU of 2fs4 by Molmil](/molmil-images/mine/2fs4) | Ketopiperazine-Based Renin Inhibitors: Optimization of the C ring | Descriptor: | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE, Renin | Authors: | Holsworth, D.D, Cai, C, Cheng, X.-M, Cody, W.L, Downing, D.M, Erasga, N, Lee, C, Powell, N.A, Edmunds, J.J, Stier, M, Jalaie, M, Zhang, E, McConnell, P, Ryan, M.J, Bryant, J, Li, T, Kasani, A, Hall, E, Subedi, R, Rahim, M, Maiti, S. | Deposit date: | 2006-01-20 | Release date: | 2006-06-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring BIOORG.MED.CHEM.LETT., 16, 2006
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2G1S
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![BU of 2g1s by Molmil](/molmil-images/mine/2g1s) | Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring | Descriptor: | (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | Deposit date: | 2006-02-14 | Release date: | 2006-06-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring BIOORG.MED.CHEM.LETT., 16, 2006
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2G24
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![BU of 2g24 by Molmil](/molmil-images/mine/2g24) | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | Descriptor: | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE, Renin | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | Deposit date: | 2006-02-15 | Release date: | 2006-06-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring BIOORG.MED.CHEM.LETT., 16, 2006
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2G20
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![BU of 2g20 by Molmil](/molmil-images/mine/2g20) | Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring | Descriptor: | N-(MORPHOLIN-4-YLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-1,3-THIAZOL-4-YL)-N-{(1R,2R,3S)-1-[(1R)-CYCLOHEX-3-EN-1-YLMETHYL]-2,3-DIHYDROXY-5-METHYLHEXYL}-L-ALANINAMIDE, Renin | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | Deposit date: | 2006-02-15 | Release date: | 2006-06-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Ketopiperazine-based renin inhibitors: optimization of the Bioorg.Med.Chem.Lett., 16, 2006
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2G22
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![BU of 2g22 by Molmil](/molmil-images/mine/2g22) | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-ETHYL-5-[1-(3-METHOXYPROPYL)-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-N~4~-(2-PHENYLETHYL)PYRIMIDINE-2,4-DIAMINE, Renin | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | Deposit date: | 2006-02-15 | Release date: | 2006-06-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring BIOORG.MED.CHEM.LETT., 16, 2006
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2G1N
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![BU of 2g1n by Molmil](/molmil-images/mine/2g1n) | Ketopiperazine-based renin inhibitors: Optimization of the "C" ring | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE, Renin | Authors: | Holsworth, D.D. | Deposit date: | 2006-02-14 | Release date: | 2006-06-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Ketopiperazine-based renin inhibitors: Optimization of the "C" ring BIOORG.MED.CHEM.LETT., 16, 2006
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2G21
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![BU of 2g21 by Molmil](/molmil-images/mine/2g21) | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | Descriptor: | 7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM, Renin | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | Deposit date: | 2006-02-15 | Release date: | 2006-06-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring BIOORG.MED.CHEM.LETT., 16, 2006
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4ZEA
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![BU of 4zea by Molmil](/molmil-images/mine/4zea) | Endothiapepsin in complex with fragment B91 | Descriptor: | 1,2-ETHANEDIOL, 2-IMINOBIOTIN, ACETATE ION, ... | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | Deposit date: | 2015-04-20 | Release date: | 2016-05-04 | Last modified: | 2016-05-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | 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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4ZPE
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4ZPF
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4ZPG
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1APV
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1B5F
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![BU of 1b5f by Molmil](/molmil-images/mine/1b5f) | NATIVE CARDOSIN A FROM CYNARA CARDUNCULUS L. | Descriptor: | PROTEIN (CARDOSIN A), alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Frazao, C, Bento, I, Carrondo, M.A. | Deposit date: | 1999-01-06 | Release date: | 1999-01-13 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal structure of cardosin A, a glycosylated and Arg-Gly-Asp-containing aspartic proteinase from the flowers of Cynara cardunculus L. J.Biol.Chem., 274, 1999
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1BIM
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![BU of 1bim by Molmil](/molmil-images/mine/1bim) | CRYSTALLOGRAPHIC STUDIES ON THE BINDING MODES OF P2-P3 BUTANEDIAMIDE RENIN INHIBITORS | Descriptor: | (2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-{(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3R)-1,5,5-trimethyl-2-oxopyrrolidin-3-yl]ethyl}-N~4~-[2-(dimethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide, Renin | Authors: | Tong, L. | Deposit date: | 1995-09-27 | Release date: | 1996-01-29 | Last modified: | 2022-03-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystallographic studies on the binding modes of P2-P3 butanediamide renin inhibitors. J.Biol.Chem., 270, 1995
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1BIL
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![BU of 1bil by Molmil](/molmil-images/mine/1bil) | CRYSTALLOGRAPHIC STUDIES ON THE BINDING MODES OF P2-P3 BUTANEDIAMIDE RENIN INHIBITORS | Descriptor: | (2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-[(1S,2R,3R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-N~4~-[2-(d imethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide, Renin | Authors: | Tong, L. | Deposit date: | 1995-09-27 | Release date: | 1996-01-29 | Last modified: | 2022-03-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystallographic studies on the binding modes of P2-P3 butanediamide renin inhibitors. J.Biol.Chem., 270, 1995
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1PFZ
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![BU of 1pfz by Molmil](/molmil-images/mine/1pfz) | 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
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1APW
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1APU
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![BU of 1apu by Molmil](/molmil-images/mine/1apu) | |