Author results

2ADU
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HUMAN METHIONINE AMINOPEPTIDASE COMPLEX WITH 4-ARYL-1,2,3-TRIAZOLE INHIBITOR
Descriptor:Methionine aminopeptidase 2, COBALT (II) ION, 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE
Authors:Kallander, L.S., Lu, Q., Chen, W., Tomaszek, T., Yang, G., Tew, D., Meek, T.D., Hofmann, G.A., Schulz-Pritchard, C.K., Smith, W.W., Janson, C.A., Ryan, M.D., Zhang, G.F., Johanson, K.O., Kirkpatrick, R.B., Ho, T.F., Fisher, P.W., Mattern, M.R., Johnson, R.K., Hansbury, M.J., Winkler, J.D., Ward, K.W., Veber, D.F., Thompson, S.K.
Deposit date:2005-07-20
Release date:2005-09-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:4-Aryl-1,2,3-triazole: A Novel Template for a Reversible Methionine Aminopeptidase 2 Inhibitor, Optimized To Inhibit Angiogenesis in Vivo
J.Med.Chem., 48, 2005
5CPH
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CRYSTAL STRUCTURE OF THE ATP BINDING DOMAIN OF S. AUREUS GYRB COMPLEXED WITH A FRAGMENT
Descriptor:DNA gyrase subunit B, (3E)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2H-indol-2-one, SULFATE ION, ...
Authors:Andersen, O.A., Barker, J., Cheng, R.K., Kahmann, J., Felicetti, B., Wood, M., Scheich, C., Mesleh, M., Cross, J.B., Zhang, J., Yang, Q., Lippa, B., Ryan, M.D.
Deposit date:2015-07-21
Release date:2016-02-03
Last modified:2016-02-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
5CTU
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CRYSTAL STRUCTURE OF THE ATP BINDING DOMAIN OF S. AUREUS GYRB COMPLEXED WITH A FRAGMENT
Descriptor:DNA gyrase subunit B, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
Authors:Andersen, O.A., Barker, J., Cheng, R.K., Kahmann, J., Felicetti, B., Wood, M., Scheich, C., Mesleh, M., Cross, J.B., Zhang, J., Yang, Q., Lippa, B., Ryan, M.D.
Deposit date:2015-07-24
Release date:2016-02-03
Last modified:2016-02-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
5CTW
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CRYSTAL STRUCTURE OF THE ATP BINDING DOMAIN OF S. AUREUS GYRB COMPLEXED WITH A FRAGMENT
Descriptor:DNA gyrase subunit B, 2-(butanoylamino)thiophene-3-carboxamide, MAGNESIUM ION, ...
Authors:Andersen, O.A., Barker, J., Hadfield, A.T., Cheng, R.K., Kahmann, J., Felicetti, B., Wood, M., Scheich, C., Mesleh, M., Cross, J.B., Zhang, J., Yang, Q., Lippa, B., Ryan, M.D.
Deposit date:2015-07-24
Release date:2016-02-03
Last modified:2016-02-17
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
5CTX
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CRYSTAL STRUCTURE OF THE ATP BINDING DOMAIN OF S. AUREUS GYRB COMPLEXED WITH A FRAGMENT
Descriptor:DNA gyrase subunit B, (4S)-2-METHYL-2,4-PENTANEDIOL, 4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, ...
Authors:Andersen, O.A., Barker, J., Cheng, R.K., Kahmann, J., Felicetti, B., Wood, M., Scheich, C., Mesleh, M., Cross, J.B., Zhang, J., Yang, Q., Lippa, B., Ryan, M.D.
Deposit date:2015-07-24
Release date:2016-02-03
Last modified:2016-02-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
5CTY
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CRYSTAL STRUCTURE OF THE ATP BINDING DOMAIN OF S. AUREUS GYRB COMPLEXED WITH A FRAGMENT
Descriptor:DNA gyrase subunit B, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
Authors:Andersen, O.A., Barker, J., Cheng, R.K., Kahmann, J., Felicetti, B., Wood, M., Scheich, C., Mesleh, M., Cross, J.B., Zhang, J., Yang, Q., Lippa, B., Ryan, M.D.
Deposit date:2015-07-24
Release date:2016-02-03
Last modified:2016-02-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
5N8C
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CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA LPXC COMPLEXED WITH INHIBITOR
Descriptor:UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION, (2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide, ...
Authors:Cross, J.B., Ryan, M.D., Zhang, J., Cheng, R.K., Wood, M., Andersen, O.A., Brooks, M., Kwong, J., Barker, J.
Deposit date:2017-02-23
Release date:2017-03-29
Last modified:2017-04-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based discovery of LpxC inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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
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
1GFW
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THE 2.8 ANGSTROM CRYSTAL STRUCTURE OF CASPASE-3 (APOPAIN OR CPP32)IN COMPLEX WITH AN ISATIN SULFONAMIDE INHIBITOR.
Descriptor:CASPASE-3 (APOPAIN, P20), P10), ...
Authors:Concha, N.O., Janson, C.A.
Deposit date:2000-06-16
Release date:2000-06-23
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Potent and selective nonpeptide inhibitors of caspases 3 and 7 inhibit apoptosis and maintain cell functionality.
J.Biol.Chem., 275, 2000