Author results

3IRI
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SOLUTION STRUCTURE OF HEPARIN DP18
Descriptor:N,O6-DISULFO-GLUCOSAMINE, 2-O-sulfo-alpha-L-idopyranuronic acid
Authors:Khan, S., Gor, J., Mulloy, B., Perkins, S.J.
Deposit date:2009-08-24
Release date:2009-11-03
Last modified:2011-07-13
Method:SOLUTION SCATTERING
Cite:Semi-rigid solution structures of heparin by constrained X-ray scattering modelling: new insight into heparin-protein complexes.
J.Mol.Biol., 395, 2010
3IRJ
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SOLUTION STRUCTURE OF HEPARIN DP24
Descriptor:N,O6-DISULFO-GLUCOSAMINE, 2-O-sulfo-alpha-L-idopyranuronic acid
Authors:Khan, S., Gor, J., Mulloy, B., Perkins, S.J.
Deposit date:2009-08-24
Release date:2009-11-03
Last modified:2011-07-13
Method:SOLUTION SCATTERING
Cite:Semi-rigid solution structures of heparin by constrained X-ray scattering modelling: new insight into heparin-protein complexes.
J.Mol.Biol., 395, 2010
3IRK
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SOLUTION STRUCTURE OF HEPARIN DP30
Descriptor:N,O6-DISULFO-GLUCOSAMINE, 2-O-sulfo-alpha-L-idopyranuronic acid
Authors:Khan, S., Gor, J., Mulloy, B., Perkins, S.J.
Deposit date:2009-08-24
Release date:2009-11-03
Last modified:2011-07-13
Method:SOLUTION SCATTERING
Cite:Semi-rigid solution structures of heparin by constrained X-ray scattering modelling: new insight into heparin-protein complexes.
J.Mol.Biol., 395, 2010
3IRL
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SOLUTION STRUCTURE OF HEPARIN DP36
Descriptor:N,O6-DISULFO-GLUCOSAMINE, 2-O-sulfo-alpha-L-idopyranuronic acid
Authors:Khan, S., Gor, J., Mulloy, B., Perkins, S.J.
Deposit date:2009-08-24
Release date:2009-11-03
Last modified:2011-07-13
Method:SOLUTION SCATTERING
Cite:Semi-rigid solution structures of heparin by constrained X-ray scattering modelling: new insight into heparin-protein complexes.
J.Mol.Biol., 395, 2010
3SZE
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CRYSTAL STRUCTURE OF THE PASSENGER DOMAIN OF THE E. COLI AUTOTRANSPORTER ESPP
Descriptor:Serine protease espP
Authors:Khan, S., Mian, H.S., Sandercock, L.E., Battaile, K.P., Lam, R., Chirgadze, N.Y., Pai, E.F.
Deposit date:2011-07-18
Release date:2011-10-12
Last modified:2011-11-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Passenger Domain of the Escherichia coli Autotransporter EspP.
J.Mol.Biol., 413, 2011
4H02
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CRYSTAL STRUCTURE OF P. FALCIPARUM LYSYL-TRNA SYNTHETASE
Descriptor:Lysyl-tRNA synthetase
Authors:Khan, S., Garg, A., Sharma, A.
Deposit date:2012-09-07
Release date:2013-05-01
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (2.905 Å)
Cite:Structural analysis of malaria-parasite lysyl-tRNA synthetase provides a platform for drug development.
Acta Crystallogr.,Sect.D, 69, 2013
4JFA
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CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM TRYPTOPHANYL-TRNA SYNTHETASE
Descriptor:Tryptophan--tRNA ligase, TRYPTOPHAN, BETA-MERCAPTOETHANOL, ...
Authors:Khan, S., Garg, A., Manickam, Y., Sharma, A.
Deposit date:2013-02-28
Release date:2014-01-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An appended domain results in an unusual architecture for malaria parasite tryptophanyl-tRNA synthetase
Plos One, 8, 2013
6FXB
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BOVINE BETA-LACTOGLOBULIN VARIANT A AT PH 4.0
Descriptor:Major allergen beta-lactoglobulin, NITRATE ION, DI(HYDROXYETHYL)ETHER
Authors:Khan, S., Ipsen, R., Almdal, K., Svensson, B., Harris, P.
Deposit date:2018-03-08
Release date:2018-05-23
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Revealing the Dimeric Crystal and Solution Structure of beta-Lactoglobulin at pH 4 and Its pH and Salt Dependent Monomer-Dimer Equilibrium.
Biomacromolecules, 19, 2018
4LNS
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CRYSTAL STRUCTURE OF ASPARAGINE SYNTHETASE A (ASNA) FROM TRYPANOSOMA BRUCEI
Descriptor:Asparagine synthetase a
Authors:Khan, S., Madhubala, R., Sharma, A.
Deposit date:2013-07-12
Release date:2014-03-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification and Functional Characterization of a Novel Bacterial Type Asparagine Synthetase A: A tRNA Synthetase Paralog from Leishmania donovani
J.Biol.Chem., 2014
4PG3
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CRYSTAL STRUCTURE OF KRS COMPLEXED WITH INHIBITOR
Descriptor:Lysine--tRNA ligase, LYSINE, cladosporin
Authors:Sharma, A., Yogavel, M., Khan, S., Sharma, A., Belrhali, H.
Deposit date:2014-05-01
Release date:2014-07-16
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (2.696 Å)
Cite:Structural basis of malaria parasite lysyl-tRNA synthetase inhibition by cladosporin.
J. Struct. Funct. Genomics, 15, 2014
3LMT
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CRYSTAL STRUCUTRE OF DTD FROM PLASMODIUM FALCIPARUM
Descriptor:D-tyrosyl-tRNA(Tyr) deacylase, IODIDE ION
Authors:Manickam, Y., Bhatt, T.K., Khan, S., Sharma, A.
Deposit date:2010-02-01
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of D-tyrosyl-tRNATyr deacylase using home-source Cu Kalpha and moderate-quality iodide-SAD data: structural polymorphism and HEPES-bound enzyme states
Acta Crystallogr.,Sect.D, 66, 2010
3LMU
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CRYSTAL STRUCUTRE OF DTD FROM PLASMODIUM FALCIPARUM
Descriptor:D-tyrosyl-tRNA(Tyr) deacylase, IODIDE ION
Authors:Manickam, Y., Bhatt, T.K., Khan, S., Sharma, A.
Deposit date:2010-02-01
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of D-tyrosyl-tRNATyr deacylase using home-source Cu Kalpha and moderate-quality iodide-SAD data: structural polymorphism and HEPES-bound enzyme states
Acta Crystallogr.,Sect.D, 66, 2010
3LMV
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D-TYR-TRNA(TYR) DEACYLASE FROM PLASMODIUM FALCIPARUM IN COMPLEX WITH HEPES
Descriptor:D-tyrosyl-tRNA(Tyr) deacylase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFITE ION
Authors:Manickam, Y., Khan, S., Bhatt, T.K., Sharma, A.
Deposit date:2010-02-01
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.833 Å)
Cite:Structure of D-tyrosyl-tRNATyr deacylase using home-source Cu Kalpha and moderate-quality iodide-SAD data: structural polymorphism and HEPES-bound enzyme states
Acta Crystallogr.,Sect.D, 66, 2010
3VGJ
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CRYSTAL OF PLASMODIUM FALCIPARUM TYROSYL-TRNA SYNTHETASE (PFTYRRS)IN COMPLEX WITH ADENYLATE ANALOG
Descriptor:Tyrosyl-tRNA synthetase, putative, TYROSINE, ...
Authors:Banday, M.M., Yogavel, M., Bhatt, T.K., Khan, S., Sharma, A., Sharma, A.
Deposit date:2011-08-14
Release date:2012-07-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.212 Å)
Cite:Malaria parasite tyrosyl-tRNA synthetase secretion triggers pro-inflammatory responses.
Nat Commun, 2, 2011
4OO9
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STRUCTURE OF THE HUMAN CLASS C GPCR METABOTROPIC GLUTAMATE RECEPTOR 5 TRANSMEMBRANE DOMAIN IN COMPLEX WITH THE NEGATIVE ALLOSTERIC MODULATOR MAVOGLURANT
Descriptor:Metabotropic glutamate receptor 5, Lysozyme, Metabotropic glutamate receptor 5 chimera, ...
Authors:Dore, A.S., Okrasa, K., Patel, J.C., Serrano-Vega, M., Bennett, K., Cooke, R.M., Errey, J.C., Jazayeri, A., Khan, S., Tehan, B., Weir, M., Wiggin, G.R., Marshall, F.H.
Deposit date:2014-01-31
Release date:2014-07-02
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of class C GPCR metabotropic glutamate receptor 5 transmembrane domain.
Nature, 511, 2014
1ML4
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THE PALA-LIGANDED ASPARTATE TRANSCARBAMOYLASE CATALYTIC SUBUNIT FROM PYROCOCCUS ABYSSI
Descriptor:Aspartate Transcarbamoylase, N-(PHOSPHONACETYL)-L-ASPARTIC ACID
Authors:Van Boxstael, S., Cunin, R., Maes, D.
Deposit date:2002-08-30
Release date:2003-02-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Aspartate Transcarbamylase from the Hyperthermophilic Archaeon Pyrococcus abyssi: Thermostability and 1.8A Resolution Crystal Structure of the Catalytic Subunit Complexed With the Bisubstrate Analogue N-Phosphonacetyl-L-aspartate.
J.Mol.Biol., 326, 2003
4DH6
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STRUCTURE OF BACE-1 (BETA-SECRETASE) IN COMPLEX WITH (2R)-N-((2S,3R)-1-(BENZO[D][1,3]DIOXOL-5-YL)-3-HYDROXY-4-((S)-6'-NEOPENTYL-3',4'-DIHYDROSPIRO[CYCLOBUTANE-1,2'-PYRANO[2,3-B]PYRIDINE]-4'-YLAMINO)BUTAN-2-YL)-2-METHOXYPROPANAMIDE
Descriptor:Beta-secretase 1, IODIDE ION, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2012-01-27
Release date:2012-04-18
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design and preparation of a potent series of hydroxyethylamine containing beta-secretase inhibitors that demonstrate robust reduction of central beta-amyloid.
J.Med.Chem., 55, 2012
4DI2
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CRYSTAL STRUCTURE OF BACE1 IN COMPLEX WITH HYDROXYETHYLAMINE INHIBITOR 37
Descriptor:Beta-secretase 1, (2R)-N-{(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide, GLYCEROL
Authors:Whittington, D.A., Long, A.M.
Deposit date:2012-01-30
Release date:2012-10-10
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and synthesis of potent, orally efficacious hydroxyethylamine derived beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors.
J.Med.Chem., 55, 2012
4DUS
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STRUCTURE OF BACE-1 (BETA-SECRETASE) IN COMPLEX WITH N-((2S,3R)-1-(4-FLUOROPHENYL)-3-HYDROXY-4-((6'-NEOPENTYL-3',4'-DIHYDROSPIRO[CYCLOBUTANE-1,2'-PYRANO[2,3-B]PYRIDIN]-4'-YL)AMINO)BUTAN-2-YL)ACETAMIDE
Descriptor:Beta-secretase 1, IODIDE ION, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2012-02-22
Release date:2012-10-10
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.
ACS Med Chem Lett, 3, 2012
4FS4
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STRUCTURE OF BACE BOUND TO (S)-4-(3'-METHOXY-[1,1'-BIPHENYL]-3-YL)-1,4-DIMETHYL-6-OXOTETRAHYDROPYRIMIDIN-2(1H)-IMINIUM
Descriptor:Beta-secretase 1, (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, L(+)-TARTARIC ACID
Authors:Strickland, C., Stamford, A.
Deposit date:2012-06-26
Release date:2012-10-10
Last modified:2014-07-23
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.
ACS Med Chem Lett, 3, 2012
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
3RIG
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SIRT5 IS AN NAD-DEPENDENT PROTEIN LYSINE DEMALONYLASE AND DESUCCINYLASE
Descriptor:NAD-dependent deacetylase sirtuin-5, peptide of histone 3 thioacetyl-lysine 9, ZINC ION, ...
Authors:Zhou, Y.
Deposit date:2011-04-13
Release date:2011-11-23
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Sirt5 is a NAD-dependent protein lysine demalonylase and desuccinylase
Science, 334, 2011
3RIY
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SIRT5 IS AN NAD-DEPENDENT PROTEIN LYSINE DEMALONYLASE AND DESUCCINYLASE
Descriptor:NAD-dependent deacetylase sirtuin-5, peptide of histone 3 N-succinyl lysine 9, ZINC ION, ...
Authors:Zhou, Y., Hao, Q.
Deposit date:2011-04-14
Release date:2011-11-23
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Sirt5 is a NAD-dependent protein lysine demalonylase and desuccinylase
Science, 334, 2011
5IDI
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STRUCTURE OF BETA GLUCOSIDASE 1A FROM THERMOTOGA NEAPOLITANA, MUTANT E349A
Descriptor:1,4-beta-D-glucan glucohydrolase, ACETATE ION
Authors:Kulkarni, T., Nordberg Karlsson, E., Logan, D.T.
Deposit date:2016-02-24
Release date:2017-02-08
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of beta-glucosidase 1A from Thermotoga neapolitana and comparison of active site mutants for hydrolysis of flavonoid glucosides.
Proteins, 85, 2017
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