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1R42
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NATIVE HUMAN ANGIOTENSIN CONVERTING ENZYME-RELATED CARBOXYPEPTIDASE (ACE2)
Descriptor:angiotensin I converting enzyme 2, disordered segment of collectrin homology domain, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Towler, P., Staker, B., Prasad, S.G., Menon, S., Ryan, D., Tang, J., Parsons, T., Fisher, M., Williams, D., Dales, N.A., Patane, M.A., Pantoliano, M.W.
Deposit date:2003-10-07
Release date:2004-02-03
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis.
J.Biol.Chem., 279, 2004
1R4L
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INHIBITOR BOUND HUMAN ANGIOTENSIN CONVERTING ENZYME-RELATED CARBOXYPEPTIDASE (ACE2)
Descriptor:angiotensin I converting enzyme 2, disordered segment of collectrin homology domain, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Towler, P., Staker, B., Prasad, S.G., Menon, S., Ryan, D., Tang, J., Parsons, T., Fisher, M., Williams, D., Dales, N.A., Patane, M.A., Pantoliano, M.W.
Deposit date:2003-10-07
Release date:2004-02-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis.
J.Biol.Chem., 279, 2004
3HHA
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CRYSTAL STRUCTURE OF CATHEPSIN L IN COMPLEX WITH AZ12878478
Descriptor:Cathepsin L1, Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide, TETRAETHYLENE GLYCOL, ...
Authors:Asaad, N., Bethel, P.A., Coulson, M.D., Dawson, J., Ford, S.J., Gerhardt, S., Grist, M., Hamlin, G.A., James, M.J., Jones, E.V., Karoutchi, G.I., Kenny, P.W., Morley, A.D., Oldham, K., Rankine, N., Ryan, D., Wells, S.L., Wood, L., Augustin, M., Krapp, S., Simader, H., Steinbacher, S.
Deposit date:2009-05-15
Release date:2009-06-23
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Dipeptidyl nitrile inhibitors of Cathepsin L.
Bioorg.Med.Chem.Lett., 19, 2009
5D6P
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CRYSTAL STRUCTURE OF THE ATP BINDING DOMAIN OF S. AUREUS GYRB COMPLEXED WITH A LIGAND
Descriptor:DNA gyrase subunit B, 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Zhang, J., Yang, Q., Cross, J.B., Romero, J.A.C., Ryan, M.D., Lippa, B., Dolle, R.E., Andersen, O.A., Barker, J., Cheng, R.K., Kahmann, J., Felicetti, B., Wood, M., Scheich, C.
Deposit date:2015-08-12
Release date:2015-11-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
5D6Q
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CRYSTAL STRUCTURE OF THE ATP BINDING DOMAIN OF S. AUREUS GYRB COMPLEXED WITH A LIGAND
Descriptor:DNA gyrase subunit B, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea, ...
Authors:Zhang, J., Yang, Q., Cross, J.B., Romero, J.A.C., Ryan, M.D., Lippa, B., Dolle, R.E., Andersen, O.A., Barker, J., Cheng, R.K., Kahmann, J., Felicetti, B., Wood, M., Scheich, C.
Deposit date:2015-08-12
Release date:2015-11-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
5D7C
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CRYSTAL STRUCTURE OF THE ATP BINDING DOMAIN OF S. AUREUS GYRB COMPLEXED WITH A LIGAND
Descriptor:DNA gyrase subunit B, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]urea, ...
Authors:Zhang, J., Yang, Q., Cross, J.B., Romero, J.A.C., Ryan, M.D., Lippa, B., Dolle, R.E., Andersen, O.A., Barker, J., Cheng, R.K., Kahmann, J., Felicetti, B., Wood, M., Scheich, C.
Deposit date:2015-08-13
Release date:2015-11-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
5D7D
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CRYSTAL STRUCTURE OF THE ATP BINDING DOMAIN OF S. AUREUS GYRB COMPLEXED WITH A LIGAND
Descriptor:DNA gyrase subunit B, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
Authors:Zhang, J., Yang, Q., Cross, J.B., Romero, J.A.C., Ryan, M.D., Lippa, B., Dolle, R.E., Andersen, O.A., Barker, J., Cheng, R.K., Kahmann, J., Felicetti, B., Wood, M., Scheich, C.
Deposit date:2015-08-13
Release date:2015-11-11
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5D7R
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CRYSTAL STRUCTURE OF THE ATP BINDING DOMAIN OF S. AUREUS GYRB COMPLEXED WITH A LIGAND
Descriptor:DNA gyrase subunit B, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Zhang, J., Yang, Q., Cross, J.B., Romero, J.A.C., Ryan, M.D., Lippa, B., Dolle, R.E., Andersen, O.A., Barker, J., Cheng, R.K., Kahmann, J., Felicetti, B., Wood, M., Scheich, C.
Deposit date:2015-08-14
Release date:2015-11-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.
Acs Med.Chem.Lett., 6, 2015
2OAZ
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HUMAN METHIONINE AMINOPEPTIDASE-2 COMPLEXED WITH SB-587094
Descriptor:human Methionine Amino Peptidase 2, COBALT (II) ION, N-(2-ISOPROPYLPHENYL)-3-[(2-THIENYLMETHYL)THIO]-1H-1,2,4-TRIAZOL-5-AMINE
Authors:Marino Jr., J.P., Fisher, P.W., Hofmann, G.A., Kirkpatrick, R., Janson, C.A., Johnson, R.K., Ma, C., Mattern, M., Meek, T.D., Ryan, D., Schulz, C., Smith, W.W., Tew, D.G., Tomazek Jr., T.A., Veber, D.F., Xiong, W.C., Yamamoto, Y., Yamashita, K., Yang, G., Thompson, S.K.
Deposit date:2006-12-18
Release date:2007-06-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Highly potent inhibitors of methionine aminopeptidase-2 based on a 1,2,4-triazole pharmacophore.
J.Med.Chem., 50, 2007
2YIG
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MMP13 IN COMPLEX WITH A NOVEL SELECTIVE NON ZINC BINDING INHIBITOR
Descriptor:COLLAGENASE 3, 4-(4-{[(3S)-3-HYDROXY-1-AZABICYCLO[2.2.2]OCT-3-YL]ETHYNYL}PHENOXY)-N-(PYRIDIN-4-YLMETHYL)BENZAMIDE, ZINC ION, ...
Authors:Gerhardt, S., Hargreaves, D.
Deposit date:2011-05-13
Release date:2011-06-29
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Selective Non Zinc Binding Inhibitors of Mmp13.
Bioorg.Med.Chem.Lett., 21, 2011