Author results

1Z5R
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B
Descriptor:procarboxypeptidase B, ZINC ION
Authors:Adler, M., Bryant, J., Buckman, B., Islam, I., Larsen, B., Finster, S., Kent, L., May, K., Mohan, R., Yuan, S., Whitlow, M.
Deposit date:2005-03-18
Release date:2005-07-12
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structures of potent thiol-based inhibitors bound to carboxypeptidase b.
Biochemistry, 44, 2005
1ZG7
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CRYSTAL STRUCTURE OF 2-(5-{[AMINO(IMINO)METHYL]AMINO}-2-CHLOROPHENYL)-3-SULFANYLPROPANOIC ACID BOUND TO ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B
Descriptor:procarboxypeptidase B, ZINC ION, 2-(5-{[AMINO(IMINO)METHYL]AMINO}-2-CHLOROPHENYL)-3-SULFANYLPROPANOIC ACID
Authors:Adler, M., Bryant, J., Buckman, B., Islam, I., Larsen, B., Finster, S., Kent, L., May, K., Mohan, R., Yuan, S., Whitlow, M.
Deposit date:2005-04-20
Release date:2005-07-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of potent thiol-based inhibitors bound to carboxypeptidase b.
Biochemistry, 44, 2005
1ZG8
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CRYSTAL STRUCTURE OF (R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-SULFANYLPROPANOIC ACID BOUND TO ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B
Descriptor:procarboxypeptidase B, ZINC ION, (2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-SULFANYLPROPANOIC ACID
Authors:Adler, M., Bryant, J., Buckman, B., Islam, I., Larsen, B., Finster, S., Kent, L., May, K., Mohan, R., Yuan, S., Whitlow, M.
Deposit date:2005-04-20
Release date:2005-07-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of potent thiol-based inhibitors bound to carboxypeptidase b.
Biochemistry, 44, 2005
1ZG9
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CRYSTAL STRUCTURE OF 5-{[AMINO(IMINO)METHYL]AMINO}-2-(SULFANYLMETHYL)PENTANOIC ACID BOUND TO ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B
Descriptor:procarboxypeptidase B, ZINC ION, 5-{[AMINO(IMINO)METHYL]AMINO}-2-(SULFANYLMETHYL)PENTANOIC ACID
Authors:Adler, M., Bryant, J., Buckman, B., Islam, I., Larsen, B., Finster, S., Kent, L., May, K., Mohan, R., Yuan, S., Whitlow, M.
Deposit date:2005-04-20
Release date:2005-07-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of potent thiol-based inhibitors bound to carboxypeptidase b.
Biochemistry, 44, 2005
2PIY
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B (S)-2-(3-AMINOMETHYL-PHENYL)-3-{HYDROXY-[(R)-2-METHYL-1-(3-PHENYL-PROPANE-1-SULFONYLAMINO)-PROPYL]-PHOSPHINOYL}-PROPIONIC ACID {ZK 528} COMPLEX
Descriptor:Carboxypeptidase B, ZINC ION, (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(R)-HYDROXY[(1R)-2-METHYL-1-{[(3-PHENYLPROPYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID
Authors:Adler, M., Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PIZ
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-GUANIDINO-PHENYL)-3-[HYDROXY-(3-PHENYL-PROPYL)-PHOSPHINOYL]-PROPIONIC ACID COMPLEX
Descriptor:Carboxypeptidase B, ZINC ION, (2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID
Authors:Adler, M., Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ0
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B [((R)-1-BENZYLOXYCARBONYLAMINO-2-METHYL-PROPYL)-HYDROXY-PHOSPHINOYLOXY]-(3-GUANIDINO-PHENYL)-ACETIC ACID COMPLEX
Descriptor:Carboxypeptidase B, ZINC ION, (5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE
Authors:Adler, M., Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ1
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B (3-AMINOMETHYL-PHENYL)-[((R)-1-BENZYLOXYCARBONYLAMINO-2-METHYL-PROPYL)-HYDROXY-PHOSPHINOYLOXY]-ACETIC ACID COMPLEX
Descriptor:Carboxypeptidase B, ZINC ION, (5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE
Authors:Adler, M., Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ2
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-AMINOMETHYL-PHENYL)-3-[((R)-1-BENZYLOXYCARBONYLAMINO-2-METHYL-PROPYL)-HYDROXY-PHOSPHINOYL]-PROPIONIC ACID COMPLEX
Descriptor:Carboxypeptidase B, ZINC ION, (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID
Authors:Adler, M., Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ3
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B (3-GUANIDINO-PHENYL)-{HYDROXY-[(R)-2-METHYL-1-(3-PHENYL-PROPIONYLAMINO)-PROPYL]-PHOSPHINOYLOXY}-ACETIC ACID COMPLEX
Descriptor:Carboxypeptidase B, ZINC ION, (2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-HYDROXY{(1R)-2-METHYL-1-[(3-PHENYLPROPANOYL)AMINO]PROPYL}PHOSPHORYL]OXY}ACETIC ACID
Authors:Adler, M., Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ4
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B [((R)-BENZYLOXYCARBONYLAMINO-CYCLOHEXYL-METHYL)-HYDROXY-PHOSPHINOYLOXY]-(3-GUANIDINO-PHENYL)-ACETIC ACID COMPLEX
Descriptor:Carboxypeptidase B, ZINC ION, (5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE
Authors:Adler, M., Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ5
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B [((R)-1-BENZYLOXYCARBONYLAMINO-HEXYL)-HYDROXY-PHOSPHINOYLOXY]-(3-GUANIDINO-PHENYL)-ACETIC ACID COMPLEX
Descriptor:Carboxypeptidase B, ZINC ION, (5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-6-HYDROXY-3-OXO-5-PENTYL-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE
Authors:Adler, M., Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ6
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-AMINOMETHYL-PHENYL)-3-{HYDROXY-[(R)-2-METHYL-1-(2-PHENYL-ETHANESULFONYLAMINO)-PROPYL]-PHOSPHINOYL}-PROPIONIC ACID COMPLEX
Descriptor:Carboxypeptidase B, ZINC ION, (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(S)-HYDROXY[(1R)-2-METHYL-1-{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID
Authors:Adler, M., Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ7
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-AMINOMETHYL-PHENYL)-3-[((R)-1-BENZENESULFONYLAMINO-2-METHYL-PROPYL)-HYDROXY-PHOSPHINOYL]-PROPIONIC ACID COMPLEX
Descriptor:Carboxypeptidase B, ZINC ION, (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-HYDROXY{(1R)-2-METHYL-1-[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID
Authors:Adler, M., Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ8
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-AMINOMETHYL-PHENYL)-3-{[(R)-1-(BIPHENYL-4-SULFONYLAMINO)-2-METHYL-PROPYL]-HYDROXY-PHOSPHINOYL}-PROPIONIC ACID COMPLEX
Descriptor:Carboxypeptidase B, ZINC ION, (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-{(1R)-1-[(BIPHENYL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID
Authors:Adler, M., Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ9
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-AMINOMETHYL-PHENYL)-3-{[(R)-1-(BENZO[1,2,5]THIADIAZOLE-4-SULFONYLAMINO)-2-METHYL-PROPYL]-HYDROXY-PHOSPHINOYL}-PROPIONIC ACID COMPLEX
Descriptor:Carboxypeptidase B, ZINC ION, (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(S)-{(1R)-1-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID
Authors:Adler, M., Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJA
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 3-{[(R)-1-((S)-2-BENZYLOXYCARBONYLAMINO-3-PHENYL-PROPIONYLAMINO)-2-METHYL-PROPYL]-HYDROXY-PHOSPHINOYL}-2-(3-GUANIDINO-PHENYL)-PROPIONIC ACID COMPLEX
Descriptor:Carboxypeptidase B, ZINC ION, (2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(R)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID
Authors:Adler, M., Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJB
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-AMINOMETHYL-PHENYL)-3-{[1-((S)-2-BENZYLOXYCARBONYLAMINO-3-PHENYL-PROPANE-1-SULFONYLAMINO)-2-METHYL-PROPYL]-HYDROXY-PHOSPHINOYL}-PROPIONIC ACID COMPLEX
Descriptor:Carboxypeptidase B, ZINC ION, (5S,9R,10R,12S)-12-[3-(AMINOMETHYL)PHENYL]-5-BENZYL-10-HYDROXY-9-ISOPROPYL-3-OXO-1-PHENYL-2-OXA-7-THIA-4,8-DIAZA-10-PHOSPHATRIDECAN-13-OIC ACID 7,7,10-TRIOXIDE
Authors:Adler, M., Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJC
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B ({(R)-1-[(S)-2-BENZYLOXYCARBONYLAMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-2-METHYL-PROPYL}-HYDROXY-PHOSPHINOYLOXY)-(3-GUANIDINO-PHENYL)-ACETIC ACID COMPLEX
Descriptor:Carboxypeptidase B, ZINC ION, (2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-L-TYROSYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]OXY}ACETIC ACID
Authors:Adler, M., Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
3H98
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CRYSTAL STRUCTURE OF HCV NS5B 1B WITH (1,1-DIOXO-2H-[1,2,4]BENZOTHIADIAZIN-3-YL) AZOLO[1,5-A]PYRIMIDINE DERIVATIVE
Descriptor:RNA-directed RNA polymerase, N-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, GLYCEROL
Authors:Wang, G., Lei, H., Wang, X., Das, D., Mackinnon, C., Montalbetti, C.A.G., Mears, R., Gai, X., Bailey, S., Ruhrmund, D., Hooi, L., Misialek, S., Rajagopalan, R., Cheng, R.K.Y., Barker, J.L., Felicetti, B., Stoycheva, A., Buckman, B., Kossen, K., Seiwert, S., Beigelmana, L.
Deposit date:2009-04-30
Release date:2009-10-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:HCV NS5B polymerase inhibitors 2: Synthesis and in vitro activity of (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyridine and azolo[1,5-a]pyrimidine derivatives.
Bioorg.Med.Chem.Lett., 19, 2009
3HHU
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HUMAN HEAT-SHOCK PROTEIN 90 (HSP90) IN COMPLEX WITH {4-[3-(2,4-DIHYDROXY-5-ISOPROPYL-PHENYL)-5-THIOXO- 1,5-DIHYDRO-[1,2,4]TRIAZOL-4-YL]-BENZYL}-CARBAMIC ACID ETHYL ESTER {ZK 2819}
Descriptor:Heat shock protein HSP 90-alpha, ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate
Authors:Adler, M., Whitlow, M.
Deposit date:2009-05-17
Release date:2009-07-14
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Potent triazolothione inhibitor of heat-shock protein-90.
Chem.Biol.Drug Des., 74, 2009
4KTC
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NS3/NS4A PROTEASE WITH INHIBITOR
Descriptor:Serine protease NS3, NS4A peptide, ZINC ION, ...
Authors:Zhang, H., Ballard, J., Vigers, G.P.A., Brandhuber, B.J.
Deposit date:2013-05-20
Release date:2013-08-07
Last modified:2014-03-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Danoprevir (ITMN-191/R7227), a Highly Selective and Potent Inhibitor of Hepatitis C Virus (HCV) NS3/4A Protease.
J.Med.Chem., 57, 2014