Author results

3R21
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DESIGN, SYNTHESIS, AND BIOLOGICAL EVALUATION OF PYRAZOLOPYRIDINE-SULFONAMIDES AS POTENT MULTIPLE-MITOTIC KINASE (MMK) INHIBITORS (PART I)
Descriptor:Serine/threonine-protein kinase 6, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, MAGNESIUM ION
Authors:Zhang, L., Fan, J., Chong, J.-H., Cesena, A., Tam, B., Gilson, C., Boykin, C., Wang, D., Marcotte, D., Le Brazidec, J.-Y., Aivazian, D., Piao, J., Lundgren, K., Hong, K., Vu, K., Nguyen, K.
Deposit date:2011-03-11
Release date:2011-08-10
Last modified:2012-02-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
3R22
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DESIGN, SYNTHESIS, AND BIOLOGICAL EVALUATION OF PYRAZOLOPYRIDINE-SULFONAMIDES AS POTENT MULTIPLE-MITOTIC KINASE (MMK) INHIBITORS (PART I)
Descriptor:Serine/threonine-protein kinase 6, N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide
Authors:Zhang, L., Fan, J., Chong, J.-H., Cesana, A., Tam, B., Gilson, C., Boykin, C., Wang, D., Marcotte, D., Le Brazidec, J.-Y., Aivazian, D., Piao, J., Lundgren, K., Hong, K., Vu, K., Nguyen, K.
Deposit date:2011-03-11
Release date:2011-08-10
Last modified:2012-02-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
2ML7
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GINSENTIDES: CHARACTERIZATION, STRUCTURE AND APPLICATION OF A NEW CLASS OF HIGHLY STABLE CYSTINE KNOT PEPTIDES IN GINSENG
Descriptor:Specific abundant protein 3
Authors:Wang, S., Nguyen, K., Luo, S., Tam, J., Yang, D.
Deposit date:2014-02-20
Release date:2015-03-04
Method:SOLUTION NMR
Cite:Ginsentides: Characterization, Structure and Application of a New Class of Highly Stable Cystine Knot Peptides in Ginseng
To be Published
3D03
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1.9A STRUCTURE OF GLYCEROPHOSHPHODIESTERASE (GPDQ) FROM ENTEROBACTER AEROGENES
Descriptor:Phosphohydrolase, COBALT (II) ION
Authors:Hadler, K.S., Tanifum, E., Yip, S.H.-C., Miti, N., Guddat, L.W., Jackson, C.J., Gahan, L.R., Carr, P.D., Nguyen, K., Ollis, D.L., Hengge, A.C., Larrabee, J.A., Schenk, G.
Deposit date:2008-04-30
Release date:2008-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate-promoted formation of a catalytically competent binuclear center and regulation of reactivity in a glycerophosphodiesterase from Enterobacter aerogenes.
J.Am.Chem.Soc., 130, 2008
3R4V
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STRUCTURE OF THE PHAGE TUBULIN PHUZ-GDP
Descriptor:Putative uncharacterized protein, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Agard, D.A., Pogliano, J., Kraemer, J.A., Erb, M.L., Waddling, C.A., Montabana, E.A., Wang, H., Nguyen, K., Pham, S.
Deposit date:2011-03-17
Release date:2012-07-04
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:A phage tubulin assembles dynamic filaments by an atypical mechanism to center viral DNA within the host cell.
Cell(Cambridge,Mass.), 149, 2012
3RB8
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STRUCTURE OF THE PHAGE TUBULIN PHUZ(SEMET)-GDP
Descriptor:Putative uncharacterized protein, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Agard, D.A., Pogliano, J., Kraemer, J.A., Erb, M.L., Waddling, C.A., Montabana, E.A., Wang, H., Nguyen, K., Pham, S.
Deposit date:2011-03-28
Release date:2012-07-04
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A phage tubulin assembles dynamic filaments by an atypical mechanism to center viral DNA within the host cell.
Cell(Cambridge,Mass.), 149, 2012
4V10
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SKELEMIN ASSOCIATION WITH ALPHA2B,BETA3 INTEGRIN: A STRUCTURAL MODEL
Descriptor:MYOMESIN-1
Authors:Gorbatyuk, V., Deshmukh, L., Nguyen, K., Vinogradova, O.
Deposit date:2014-09-19
Release date:2014-10-08
Last modified:2018-01-24
Method:SOLUTION NMR
Cite:Skelemin Association with Alphaiibbeta3 Integrin: A Structural Model.
Biochemistry, 53, 2014
2XS3
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STRUCTURE OF KARILYSIN CATALYTIC MMP DOMAIN
Descriptor:KARILYSIN PROTEASE, PEPTIDE ALA-PHE-THR-SER, ZINC ION, ...
Authors:Cerda-Costa, N., Guevara, T., Karim, A.Y., Ksiazek, M., Nguyen, K.-A., Arolas, J.L., Potempa, J., Gomis-Ruth, F.X.
Deposit date:2010-09-24
Release date:2010-11-03
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Structure of the Catalytic Domain of Tannerella Forsythia Karilysin Reveals It is a Bacterial Xenologue of Animal Matrix Metalloproteinases.
Mol.Microbiol., 79, 2011
2XS4
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STRUCTURE OF KARILYSIN CATALYTIC MMP DOMAIN IN COMPLEX WITH MAGNESIUM
Descriptor:KARILYSIN PROTEASE, PEPTIDE ALA-PHE-THR, MAGNESIUM ION, ...
Authors:Cerda-Costa, N., Guevara, T., Karim, A.Y., Ksiazek, M., Nguyen, K.-A., Arolas, J.L., Potempa, J., Gomis-Ruth, F.X.
Deposit date:2010-09-24
Release date:2010-11-03
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structure of the Catalytic Domain of Tannerella Forsythia Karilysin Reveals It is a Bacterial Xenologue of Animal Matrix Metalloproteinases.
Mol.Microbiol., 79, 2011
3KG5
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CRYSTAL STRUCTURE OF HUMAN IG-BETA HOMODIMER
Descriptor:B-cell antigen receptor complex-associated protein beta chain
Authors:Radaev, S., Sun, P.D.
Deposit date:2009-10-28
Release date:2010-08-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and Functional Studies of Igalphabeta and Its Assembly with the B Cell Antigen Receptor.
Structure, 18, 2010
3KHO
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CRYSTAL STRUCTURE OF MURINE IG-BETA (CD79B) HOMODIMER
Descriptor:B-cell antigen receptor complex-associated protein beta chain, SULFATE ION
Authors:Radaev, S., Sun, P.D.
Deposit date:2009-10-30
Release date:2010-08-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Structural and Functional Studies of Igalphabeta and Its Assembly with the B Cell Antigen Receptor.
Structure, 18, 2010
3KHQ
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CRYSTAL STRUCTURE OF MURINE IG-BETA (CD79B) IN THE MONOMERIC FORM
Descriptor:B-cell antigen receptor complex-associated protein beta chain, MAGNESIUM ION, CITRATE ANION, ...
Authors:Radaev, S., Sun, P.D.
Deposit date:2009-10-30
Release date:2010-08-25
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Functional Studies of Igalphabeta and Its Assembly with the B Cell Antigen Receptor.
Structure, 18, 2010
5AG8
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CRYSTAL STRUCTURE OF A MUTANT (665I6H) OF THE C-TERMINAL DOMAIN OF RGPB
Descriptor:GINGIPAIN R2, SULFATE ION, GLYCEROL
Authors:de Diego, I., Ksiazek, M., Mizgalska, D., Golik, P., Szmigielski, B., Nowak, M., Nowakowska, Z., Potempa, B., Koneru, L., Nguyen, K.A., Enghild, J., Thogersen, I.B., Dubin, G., Gomis-Ruth, F.X., Potempa, J.
Deposit date:2015-01-29
Release date:2016-04-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Outer-Membrane Export Signal of Porphyromonas Gingivalis Type Ix Secretion System (T9Ss) is a Conserved C-Terminal Beta-Sandwich Domain.
Sci.Rep., 6, 2016
1WZ9
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THE 2.1 A STRUCTURE OF A TUMOUR SUPPRESSING SERPIN
Descriptor:Maspin precursor, SULFATE ION
Authors:Law, R.H., Irving, J.A., Buckle, A.M., Ruzyla, K., Buzza, M., Bashtannyk-Puhalovich, T.A., Beddoe, T.C., Kim, N., Worrall, D.M., Bottomley, S.P., Bird, P.I., Rossjohn, J., Whisstock, J.C.
Deposit date:2005-03-03
Release date:2005-03-15
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The high resolution crystal structure of the human tumor suppressor maspin reveals a novel conformational switch in the G-helix.
J.Biol.Chem., 280, 2005
1XU8
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THE 2.8 A STRUCTURE OF A TUMOUR SUPPRESSING SERPIN
Descriptor:Maspin, SULFATE ION
Authors:Irving, J.A., Law, R.H., Ruzyla, K., Bashtannyk-Puhalovich, T.A., Kim, N., Worrall, D.M., Rossjohn, J., Whisstock, J.C.
Deposit date:2004-10-25
Release date:2005-03-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The high resolution crystal structure of the human tumor suppressor maspin reveals a novel conformational switch in the G-helix.
J.Biol.Chem., 280, 2005
4EJN
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CRYSTAL STRUCTURE OF AUTOINHIBITED FORM OF AKT1 IN COMPLEX WITH N-(4-(5-(3-ACETAMIDOPHENYL)-2-(2-AMINOPYRIDIN-3-YL)-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL)BENZYL)-3-FLUOROBENZAMIDE
Descriptor:RAC-alpha serine/threonine-protein kinase, N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide, 2-BUTANOL, ...
Authors:Eathiraj, S.
Deposit date:2012-04-06
Release date:2012-05-23
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors.
J.Med.Chem., 55, 2012
6PU9
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CRYSTAL STRUCTURE OF THE TYPE B CHLORAMPHENICOL O-ACETYLTRANSFERASE FROM VIBRIO VULNIFICUS
Descriptor:Acetyltransferase, 1,2-ETHANEDIOL, CHLORIDE ION
Authors:Kim, Y., Maltseva, N., Mulligan, R., Grimshaw, S., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-07-17
Release date:2019-08-14
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and functional characterization of three Type B and C chloramphenicol acetyltransferases from Vibrio species.
Protein Sci., 2019
6PUA
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THE 2.0 A CRYSTAL STRUCTURE OF THE TYPE B CHLORAMPHENICOL ACETYLTRANSFERASE FROM VIBRIO CHOLERAE
Descriptor:Chloramphenicol acetyltransferase, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ...
Authors:Kim, Y., Maltseva, N., Stam, J., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-07-18
Release date:2019-09-25
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional characterization of three Type B and C chloramphenicol acetyltransferases from Vibrio species.
Protein Sci., 2019
4DHF
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STRUCTURE OF AURORA A MUTANT BOUND TO BIOGENIDEC CPD 15
Descriptor:Aurora kinase A, 7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-3-yl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, PHOSPHATE ION, ...
Authors:Silvian, L., Marcotte, D.J.
Deposit date:2012-01-27
Release date:2012-07-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design of 2,6,7-trisubstituted-7H-pyrrolo[2,3-d]pyrimidines as Aurora kinases inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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
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
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