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3A2O
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CRYSTAL STRUCTURE OF HIV-1 PROTEASE COMPLEXED WITH KNI-1689
Descriptor:PROTEASE, GLYCEROL, (4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop-2-en-1-yl)-1,3-thiazolidine-4-carboxamide
Authors:Adachi, M., Tamada, T., Hidaka, K., Kimura, T., Kiso, Y., Kuroki, R.
Deposit date:2009-05-26
Release date:2010-03-02
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (0.88 Å)
Cite:Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket.
J.Med.Chem., 52, 2009
5YOJ
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STRUCTURE OF A17 HIV-1 PROTEASE IN COMPLEX WITH INHIBITOR KNI-1657
Descriptor:A17 HIV-1 protease, (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3-yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL
Authors:Adachi, M., Hidaka, K., Kuroki, R., Kiso, Y.
Deposit date:2017-10-29
Release date:2018-07-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine.
J. Med. Chem., 61, 2018
5YOK
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STRUCTURE OF HIV-1 PROTEASE IN COMPLEX WITH INHIBITOR KNI-1657
Descriptor:HIV-1 PROTEASE, (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3-yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL
Authors:Adachi, M., Hidaka, K., Kuroki, R., Kiso, Y.
Deposit date:2017-10-29
Release date:2018-07-18
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine.
J. Med. Chem., 61, 2018
6IXD
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X-RAY CRYSTAL STRUCTURE OF BPI-11 HIV-1 PROTEASE COMPLEX
Descriptor:Protease, GLYCEROL, SULFATE ION, ...
Authors:Adachi, M., Hidaka, K.
Deposit date:2018-12-10
Release date:2019-05-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:Acquired Removability of Aspartic Protease Inhibitors by Direct Biotinylation.
Bioconjug.Chem., 2019
2ANL
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X-RAY CRYSTAL STRUCTURE OF THE ASPARTIC PROTEASE PLASMEPSIN 4 FROM THE MALARIAL PARASITE PLASMODIUM MALARIAE BOUND TO AN ALLOPHENYLNORSTATINE BASED INHIBITOR
Descriptor:plasmepsin IV, (4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide
Authors:Clemente, J.C., Govindasamy, L., Madabushi, A., Fisher, S.Z., Moose, R.E., Yowell, C.A., Hidaka, K., Kimura, T., Hayashi, Y., Kiso, Y., Agbandje-McKenna, M., Dame, J.B., Dunn, B.M., McKenna, R.
Deposit date:2005-08-11
Release date:2006-04-04
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of the aspartic protease plasmepsin 4 from the malarial parasite Plasmodium malariae bound to an allophenylnorstatine-based inhibitor.
Acta Crystallogr.,Sect.D, 62, 2006
2ZYE
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STRUCTURE OF HIV-1 PROTEASE IN COMPLEX WITH POTENT INHIBITOR KNI-272 DETERMINED BY NEUTRON CRYSTALLOGRAPHY
Descriptor:protease, (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
Authors:Adachi, M., Ohhara, T., Tamada, T., Okazaki, N., Kuroki, R.
Deposit date:2009-01-20
Release date:2009-03-24
Last modified:2018-06-20
Method:NEUTRON DIFFRACTION (1.9 Å)
Cite:Structure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography.
Proc.Natl.Acad.Sci.USA, 2009
3FX5
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STRUCTURE OF HIV-1 PROTEASE IN COMPLEX WITH POTENT INHIBITOR KNI-272 DETERMINED BY HIGH RESOLUTION X-RAY CRYSTALLOGRAPHY
Descriptor:protease, GLYCEROL, (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
Authors:Adachi, M., Ohhara, T., Tamada, T., Okazaki, N., Kuroki, R.
Deposit date:2009-01-20
Release date:2009-03-24
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Structure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography.
Proc.Natl.Acad.Sci.USA, 2009
3KDB
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CRYSTAL STRUCTURE OF HIV-1 PROTEASE (Q7K, L33I, L63I) IN COMPLEX WITH KNI-10006
Descriptor:Protease, GLYCEROL, (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Authors:Chufan, E.E., Lafont, V., Freire, E., Amzel, L.M.
Deposit date:2009-10-22
Release date:2010-03-02
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:How much binding affinity can be gained by filling a cavity?
Chem.Biol.Drug Des., 75, 2010
3KDC
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CRYSTAL STRUCTURE OF HIV-1 PROTEASE (Q7K, L33I, L63I) IN COMPLEX WITH KNI-10074
Descriptor:Protease, (4R)-3-[(2S,3S)-3-{[(2,6-dichlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, ...
Authors:Chufan, E.E., Kawasaki, Y., Freire, E., Amzel, L.M.
Deposit date:2009-10-22
Release date:2010-03-16
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:How much binding affinity can be gained by filling a cavity?
Chem.Biol.Drug Des., 75, 2010
3KDD
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CRYSTAL STRUCTURE OF HIV-1 PROTEASE (Q7K, L33I, L63I) IN COMPLEX WITH KNI-10265
Descriptor:Protease, (4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL
Authors:Chufan, E.E., Kawasaki, Y., Freire, E., Amzel, L.M.
Deposit date:2009-10-22
Release date:2010-03-02
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:How much binding affinity can be gained by filling a cavity?
Chem.Biol.Drug Des., 75, 2010
3QRV
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CRYSTAL STRUCTURE OF PLASMEPSIN I (PMI) FROM PLASMODIUM FALCIPARUM
Descriptor:Plasmepsin-1
Authors:Bhaumik, P., Gustchina, A., Wlodawer, A.
Deposit date:2011-02-18
Release date:2011-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of the free and inhibited forms of plasmepsin I (PMI) from Plasmodium falciparum.
J.Struct.Biol., 175, 2011
3QS1
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CRYSTAL STRUCTURE OF KNI-10006 COMPLEX OF PLASMEPSIN I (PMI) FROM PLASMODIUM FALCIPARUM
Descriptor:Plasmepsin-1, (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL
Authors:Bhaumik, P., Gustchina, A., Wlodawer, A.
Deposit date:2011-02-19
Release date:2011-05-11
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structures of the free and inhibited forms of plasmepsin I (PMI) from Plasmodium falciparum.
J.Struct.Biol., 175, 2011
3QVC
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CRYSTAL STRUCTURE OF HISTO-ASPARTIC PROTEASE (HAP) ZYMOGEN FROM PLASMODIUM FALCIPARUM
Descriptor:Histo-aspartic protease, 1,2-ETHANEDIOL
Authors:Bhaumik, P., Gustchina, A., Wlodawer, A.
Deposit date:2011-02-25
Release date:2011-10-12
Last modified:2011-11-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into the activation and inhibition of histo-aspartic protease from Plasmodium falciparum.
Biochemistry, 50, 2011
3QVI
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CRYSTAL STRUCTURE OF KNI-10395 BOUND HISTO-ASPARTIC PROTEASE (HAP) FROM PLASMODIUM FALCIPARUM
Descriptor:Histo-aspartic protease, (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, ...
Authors:Bhaumik, P., Gustchina, A., Wlodawer, A.
Deposit date:2011-02-25
Release date:2011-10-12
Last modified:2013-09-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the activation and inhibition of histo-aspartic protease from Plasmodium falciparum.
Biochemistry, 50, 2011
5UGD
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PROTEASE INHIBITOR
Descriptor:Plasminogen, Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(pyridin-4-yl)methyl]-L-tyrosinamide
Authors:Law, R.H.P., Wu, G., Whisstock, J.C.
Deposit date:2017-01-08
Release date:2017-05-31
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:X-ray crystal structure of plasmin with tranexamic acid-derived active site inhibitors.
Blood Adv, 1, 2017
5UGG
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PROTEASE INHIBITOR
Descriptor:Plasminogen, Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(quinolin-2-yl)methyl]-L-tyrosinamide
Authors:Law, R.H.P., Wu, G., Whisstock, J.C.
Deposit date:2017-01-08
Release date:2017-05-31
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:X-ray crystal structure of plasmin with tranexamic acid-derived active site inhibitors.
Blood Adv, 1, 2017
5YIA
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CRYSTAL STRUCTURE OF KNI-10343 BOUND PLASMEPSIN II (PMII) FROM PLASMODIUM FALCIPARUM
Descriptor:Plasmepsin II, (4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ...
Authors:Rathore, I., Mishra, V., Bhaumik, P.
Deposit date:2017-10-03
Release date:2018-07-11
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights
FEBS J., 2018
5YIB
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CRYSTAL STRUCTURE OF KNI-10743 BOUND PLASMEPSIN II (PMII) FROM PLASMODIUM FALCIPARUM
Descriptor:Plasmepsin II, (4R)-3-[(2S,3S)-3-[2-[4-[2-(dimethylamino)ethyl-methyl-amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, GLYCEROL, ...
Authors:Rathore, I., Mishra, V., Bhaumik, P.
Deposit date:2017-10-03
Release date:2018-07-11
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights
FEBS J., 2018
5YIC
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CRYSTAL STRUCTURE OF KNI-10333 BOUND PLASMEPSIN II (PMII) FROM PLASMODIUM FALCIPARUM
Descriptor:Plasmepsin II, (4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-aminophenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ...
Authors:Mishra, V., Rathore, I., Bhaumik, P.
Deposit date:2017-10-03
Release date:2018-07-11
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights
FEBS J., 2018
5YID
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CRYSTAL STRUCTURE OF KNI-10395 BOUND PLASMEPSIN II (PMII) FROM PLASMODIUM FALCIPARUM
Descriptor:Plasmepsin II, (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ...
Authors:Mishra, V., Rathore, I., Bhaumik, P.
Deposit date:2017-10-04
Release date:2018-07-11
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights
FEBS J., 2018
5YIE
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CRYSTAL STRUCTURE OF KNI-10742 BOUND PLASMEPSIN II (PMII) FROM PLASMODIUM FALCIPARUM
Descriptor:Plasmepsin II, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, (4R)-3-[(2S,3S)-3-[2-[4-[2-azanylethyl(ethyl)amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, ...
Authors:Mishra, V., Rathore, I., Bhaumik, P.
Deposit date:2017-10-04
Release date:2018-07-11
Last modified:2018-07-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights
FEBS J., 2018