Author results

1TVZ
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CRYSTAL STRUCTURE OF 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A SYNTHASE FROM STAPHYLOCOCCUS AUREUS
Descriptor:3-hydroxy-3-methylglutaryl-CoA synthase, SULFATE ION
Authors:Campobasso, N., Patel, M., Wilding, I.E., Kallender, H., Rosenberg, M., Gwynn, M.
Deposit date:2004-06-30
Release date:2004-08-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Staphylococcus aureus 3-hydroxy-3-methylglutaryl-CoA synthase: crystal structure and mechanism
J.Biol.Chem., 279, 2004
1TXT
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STAPHYLOCOCCUS AUREUS 3-HYDROXY-3-METHYLGLUTARYL-COA SYNTHASE
Descriptor:3-hydroxy-3-methylglutaryl-CoA synthase, ACETOACETYL-COENZYME A
Authors:Campobasso, N., Patel, M., Wilding, I.E., Kallender, H., Rosenberg, M., Gwynn, M.
Deposit date:2004-07-06
Release date:2004-08-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Staphylococcus aureus 3-hydroxy-3-methylglutaryl-CoA synthase: crystal structure and mechanism
J.Biol.Chem., 279, 2004
2VSZ
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CRYSTAL STRUCTURE OF THE ELMO1 PH DOMAIN
Descriptor:ENGULFMENT AND CELL MOTILITY PROTEIN 1
Authors:Komander, D., Patel, M., Barford, D., Cote, J.-F.
Deposit date:2008-05-01
Release date:2009-03-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An Alpha-Helical Extension of the Elmo1 Pleckstrin Homology Domain Mediates Direct Interaction to Dock180 and is Critical in Rac Signaling.
Molecular Biology of the Cell, 19, 2008
1D9E
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STRUCTURE OF E. COLI KDO8P SYNTHASE
Descriptor:3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE SYNTHASE, SULFATE ION
Authors:Radaev, S., Dastidar, P., Patel, M., Woodard, R.W., Gatti, D.L.
Deposit date:1999-10-27
Release date:2000-05-10
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and mechanism of 3-deoxy-D-manno-octulosonate 8-phosphate synthase.
J.Biol.Chem., 275, 2000
2N9C
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NRAS ISOFORM 5
Descriptor:GTPase NRas
Authors:Markowitz, J., Mal, T.K., Yuan, C., Courtney, N.B., Patel, M., Stiff, A.R., Blachly, J., Walker, C., Eisfeld, A., de la Chapelle, A., Carson III, W.E.
Deposit date:2015-11-13
Release date:2016-03-23
Last modified:2016-05-11
Method:SOLUTION NMR
Cite:Structural characterization of NRAS isoform 5.
Protein Sci., 25, 2016
3L4C
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STRUCTURAL BASIS OF MEMBRANE-TARGETING BY DOCK180
Descriptor:Dedicator of cytokinesis protein 1, BETA-MERCAPTOETHANOL
Authors:Premkumar, L., Bobkov, A.A., Patel, M., Jaroszewski, L., Bankston, L.A., Stec, B., Vuori, K., Cote, J.-F., Liddington, R.C.
Deposit date:2009-12-18
Release date:2010-02-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural basis of membrane targeting by the Dock180 family of Rho family guanine exchange factors (Rho-GEFs).
J.Biol.Chem., 285, 2010
6DCG
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DISCOVERY OF MK-8353: AN ORALLY BIOAVAILABLE DUAL MECHANISM ERK INHIBITOR FOR ONCOLOGY
Descriptor:Mitogen-activated protein kinase 1, SULFATE ION, (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide
Authors:Boga, S.B., Deng, Y., Zhu, L., Nan, Y., Cooper, A., Shipps Jr., G.W., Doll, R., Shih, N., Zhu, H., Sun, R., Wang, T., Paliwal, S., Tsui, H., Gao, X., Yao, X., Desai, J., Wang, J., Alhassan, A.B., Kelly, J., Patel, M., Muppalla, K., Gudipati, S., Zhang, L., Buevich, A., Hesk, D., Carr, D., Dayananth, P., Mei, H., Cox, K., Sherborne, B., Hruza, A.W., Xiao, L., Jin, W., Long, B., Liu, G., Taylor, S.A., Kirschmeier, P., Windsor, W.T., Bishop, R., Samatar, A.A.
Deposit date:2018-05-06
Release date:2018-08-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
5TW6
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CTX-M-14 P167S:E166A MUTANT WITH ACYLATED CEFTAZIDIME MOLECULE
Descriptor:Beta-lactamase, ACYLATED CEFTAZIDIME, 1,2-ETHANEDIOL
Authors:Patel, M., Stojanoski, V., Sankaran, B., Prasad, B.V.V., Palzkill, T.
Deposit date:2016-11-11
Release date:2017-06-28
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
5TWD
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CTX-M-14 P167S APOENZYME
Descriptor:Beta-lactamase
Authors:Patel, M., Stojanoski, V., Sankaran, B., Prasad, B.V.V., Palzkill, T.
Deposit date:2016-11-12
Release date:2017-06-28
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
5TWE
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CTX-M-14 P167S:S70G MUTANT ENZYME CRYSTALLIZED WITH CEFTAZIDIME
Descriptor:Beta-lactamase, ACYLATED CEFTAZIDIME
Authors:Patel, M., Stojanoski, V., Sankaran, B., Prasad, B.V.V., Palzkill, T.
Deposit date:2016-11-12
Release date:2017-06-28
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
5U53
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CTX-M-14 E166A WITH ACYLATED CEFTAZIDIME MOLECULE
Descriptor:Beta-lactamase, ACYLATED CEFTAZIDIME, NITRATE ION
Authors:Patel, M., Stojanoski, V., Sankaran, B., Prasad, B.V.V., Palzkill, T.
Deposit date:2016-12-06
Release date:2017-06-28
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
3IOX
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CRYSTAL STRUCTURE OF A3VP1 OF AGI/II OF STREPTOCOCCUS MUTANS
Descriptor:AgI/II, phenylmethanesulfonic acid, SULFITE ION, ...
Authors:Larson, M.R., Rajashankar, K.R., Patel, M., Robinette, R., Crowley, P., Michalek, S.M., Brady, L.J., Deivanayagam, C.C.
Deposit date:2009-08-14
Release date:2010-04-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Elongated fibrillar structure of a streptococcal adhesin assembled by the high-affinity association of alpha- and PPII-helices.
Proc.Natl.Acad.Sci.USA, 107, 2010
3IPK
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CRYSTAL STRUCTURE OF A3VP1 OF AGI/II OF STREPTOCOCCUS MUTANS
Descriptor:AgI/II, phenylmethanesulfonic acid, SULFATE ION, ...
Authors:Larson, M.R., Rajashankar, K.R., Patel, M., Robinette, R., Crowley, P., Michalek, S.M., Brady, L.J., Deivanayagam, C.C.
Deposit date:2009-08-17
Release date:2010-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Elongated fibrillar structure of a streptococcal adhesin assembled by the high-affinity association of alpha- and PPII-helices.
Proc.Natl.Acad.Sci.USA, 107, 2010
5VTH
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CTX-M-14 P167S:E166A MUTANT
Descriptor:Beta-lactamase
Authors:Hu, L., Patel, M., Prasad, B.V.V., Palzkill, T.
Deposit date:2017-05-17
Release date:2017-06-28
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation.
Biochemistry, 56, 2017
3AB3
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CRYSTAL STRUCTURE OF P115RHOGEF RGS DOMAIN IN COMPLEX WITH G ALPHA 13
Descriptor:Guanine nucleotide-binding protein G(k) subunit alpha, Guanine nucleotide-binding protein subunit alpha-13, Rho guanine nucleotide exchange factor 1, ...
Authors:Kukimoto-Niino, M., Mishima, C., Shirouzu, M., Kozasa, T., Yokoyama, S.
Deposit date:2009-11-30
Release date:2010-12-29
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of critical residues in G(alpha)13 for stimulation of p115RhoGEF activity and the structure of the G(alpha)13-p115RhoGEF regulator of G protein signaling homology (RH) domain complex.
J.Biol.Chem., 286, 2011
3TUL
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CRYSTAL STRUCTURE OF N-TERMINAL REGION OF TYPE III SECRETION MAJOR TRANSLOCATOR SIPB (RESIDUES 82-226)
Descriptor:Cell invasion protein sipB
Authors:Barta, M.L., Dickenson, N.E., Patel, M., Keightley, J.A., Picking, W.D., Picking, W.L., Geisbrecht, B.V.
Deposit date:2011-09-16
Release date:2012-02-15
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2.793 Å)
Cite:The Structures of Coiled-Coil Domains from Type III Secretion System Translocators Reveal Homology to Pore-Forming Toxins.
J.Mol.Biol., 417, 2012
3ZD1
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STRUCTURE OF THE TWO C-TERMINAL DOMAINS OF COMPLEMENT FACTOR H RELATED PROTEIN 2
Descriptor:COMPLEMENT FACTOR H-RELATED PROTEIN 2, 1,2-ETHANEDIOL
Authors:Caesar, J.J.E., Goicoechea de Jorge, E., Pickering, M.C., Lea, S.M.
Deposit date:2012-11-23
Release date:2013-03-13
Last modified:2013-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dimerization of Complement Factor H-Related Proteins Modulates Complement Activation in Vivo.
Proc.Natl.Acad.Sci.USA, 110, 2013
3ZD2
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THE STRUCTURE OF THE TWO N-TERMINAL DOMAINS OF COMPLEMENT FACTOR H RELATED PROTEIN 1 SHOWS FORMATION OF A NOVEL DIMERISATION INTERFACE
Descriptor:COMPLEMENT FACTOR H-RELATED PROTEIN 1, 1,2-ETHANEDIOL
Authors:Caesar, J.J.E., Goicoechea de Jorge, E., Pickering, M.C., Lea, S.M.
Deposit date:2012-11-23
Release date:2013-03-13
Last modified:2013-04-03
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Dimerization of Complement Factor H-Related Proteins Modulates Complement Activation in Vivo.
Proc.Natl.Acad.Sci.USA, 110, 2013
6DBP
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RNA-RECOGNITION MOTIF 1 OF HUMAN MSI2
Descriptor:RNA-binding protein Musashi homolog 2
Authors:Goldgur, Y., Kharas, M.G., Minuesa, G.
Deposit date:2018-05-03
Release date:2019-05-08
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:Small-molecule targeting of MUSASHI RNA-binding activity in acute myeloid leukemia
Nat Commun, 2019
6NCJ
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STRUCTURE OF HIV-1 INTEGRASE WITH POTENT 5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE DERIVATIVES ALLOSTERIC SITE INHIBITORS
Descriptor:Integrase, 1,2-ETHANEDIOL, (2~{S})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-2-methyl-6-[[(1~{S},2~{R})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{H}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, ...
Authors:Nolte, R.T.
Deposit date:2018-12-11
Release date:2019-01-16
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives as Potent HIV-1-Integrase-Allosteric-Site Inhibitors.
J. Med. Chem., 62, 2019
2NNQ
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CRYSTAL STRUCTURE OF HUMAN ADIPOCYTE FATTY ACID BINDING PROTEIN IN COMPLEX WITH ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID
Descriptor:Fatty acid-binding protein, adipocyte, SULFATE ION, ...
Authors:Jacobson, B.L.
Deposit date:2006-10-24
Release date:2007-06-12
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Potent and selective biphenyl azole inhibitors of adipocyte fatty acid binding protein (aFABP).
Bioorg.Med.Chem.Lett., 17, 2007
3EM2
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A BIMOLECULAR ANTI-PARALLEL-STRANDED OXYTRICHA NOVA TELOMERIC QUADRUPLEX IN COMPLEX WITH A 3,6-DISUBSTITUTED ACRIDINE BSU-6038
Descriptor:5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION, 3,6-Bis[(3-morpholinopropionamido)] acridine
Authors:Campbell, N.H., Parkinson, G., Neidle, S.
Deposit date:2008-09-23
Release date:2008-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
3EQW
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A BIMOLECULAR ANTI-PARALLEL-STRANDED OXYTRICHA NOVA TELOMERIC QUADRUPLEX IN COMPLEX WITH A 3,6-DISUBSTITUTED ACRIDINE BSU-6042 IN SMALL UNIT CELL
Descriptor:5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION, 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine
Authors:Campbell, N.H., Parkinson, G., Neidle, S.
Deposit date:2008-10-01
Release date:2008-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
3ERU
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A BIMOLECULAR ANTI-PARALLEL-STRANDED OXYTRICHA NOVA TELOMERIC QUADRUPLEX IN COMPLEX WITH A 3,6-DISUBSTITUTED ACRIDINE BSU-6045
Descriptor:5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION, 3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine
Authors:Campbell, N.H., Parkinson, G., Neidle, S.
Deposit date:2008-10-03
Release date:2008-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
3ES0
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A BIMOLECULAR ANTI-PARALLEL-STRANDED OXYTRICHA NOVA TELOMERIC QUADRUPLEX IN COMPLEX WITH A 3,6-DISUBSTITUTED ACRIDINE BSU-6048
Descriptor:5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION, 3,6-Bis[3-(4-methylpiperidino)propionamido]acridine
Authors:Campbell, N.H., Parkinson, G., Neidle, S.
Deposit date:2008-10-03
Release date:2008-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
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