Author results

4RSP
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X-RAY STRUCTURE OF MERS-COV NSP5 PROTEASE BOUND WITH A DESIGNED INHIBITOR
Descriptor:Orf1a protein, Peptide inhibitor
Authors:Tomar, S., Mesecar, A.D.
Deposit date:2014-11-10
Release date:2015-06-17
Last modified:2015-09-09
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Ligand-induced Dimerization of Middle East Respiratory Syndrome (MERS) Coronavirus nsp5 Protease (3CLpro): IMPLICATIONS FOR nsp5 REGULATION AND THE DEVELOPMENT OF ANTIVIRALS.
J.Biol.Chem., 290, 2015
4YLU
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X-RAY STRUCTURE OF MERS-COV NSP5 PROTEASE BOUND WITH A NON-COVALENT INHIBITOR
Descriptor:ORF1a protein, N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide, ACETATE ION
Authors:Tomar, S., Mesecar, A.D.
Deposit date:2015-03-05
Release date:2015-06-17
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ligand-induced Dimerization of Middle East Respiratory Syndrome (MERS) Coronavirus nsp5 Protease (3CLpro): IMPLICATIONS FOR nsp5 REGULATION AND THE DEVELOPMENT OF ANTIVIRALS.
J.Biol.Chem., 290, 2015
4AGJ
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CRYSTAL STRUCTURE OF THE CAPSID PROTEIN (110-267) FROM AURA VIRUS IN COMPLEX WITH DIOXANE
Descriptor:CAPSID PROTEIN, 1,4-DIETHYLENE DIOXIDE
Authors:Aggarwal, M., Kumar, P., Tomar, S.
Deposit date:2012-01-30
Release date:2012-12-26
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal Structure of Aura Virus Capsid Protease and its Complex with Dioxane: New Insights Into Capsid-Glycoprotein Molecular Contacts.
Plos One, 7, 2012
4AGK
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CRYSTAL STRUCTURE OF CAPSID PROTEIN (110-267) FROM AURA VIRUS
Descriptor:CAPSID PROTEIN
Authors:Aggarwal, M., Kumar, P., Tomar, S.
Deposit date:2012-01-30
Release date:2012-12-26
Last modified:2013-01-30
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal Structure of Aura Virus Capsid Protease and its Complex with Dioxane: New Insights Into Capsid-Glycoprotein Molecular Contacts
Plos One, 7, 2012
1RMR
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CRYSTAL STRUCTURE OF SCHISTATIN, A DISINTEGRIN HOMODIMER FROM SAW-SCALED VIPER (ECHIS CARINATUS) AT 2.5 A RESOLUTION
Descriptor:Disintegrin schistatin
Authors:Bilgrami, S., Tomar, S., Yadav, S., Kaur, P., Kumar, J., Jabeen, T., Sharma, S., Singh, T.P.
Deposit date:2003-11-28
Release date:2004-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of schistatin, a disintegrin homodimer from saw-scaled viper (Echis carinatus) at 2.5 A resolution
J.Mol.Biol., 341, 2004
4UM5
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CRYSTAL STRUCTURE OF 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE FROM MORAXELLA CATARRHALIS IN COMPLEX WITH MAGNESIUM ION AND PHOSPHATE ION
Descriptor:3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE KDSC, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Dhindwal, S., Tomar, S., Kumar, P.
Deposit date:2014-05-15
Release date:2015-02-11
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Ligand-Bound Structures of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Phosphatase from Moraxella Catarrhalis Reveal a Water Channel Connecting to the Active Site for the Second Step of Catalysis
Acta Crystallogr.,Sect.D, 71, 2015
4UM7
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CRYSTAL STRUCTURE OF 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE (KDSC) FROM MORAXELLA CATARRHALIS IN COMPLEX WITH MAGNESIUM ION
Descriptor:3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE KDSC, MAGNESIUM ION, 1,2-ETHANEDIOL
Authors:Dhindwal, S., Tomar, S., Kumar, P.
Deposit date:2014-05-15
Release date:2015-02-11
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Ligand-Bound Structures of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Phosphatase from Moraxella Catarrhalis Reveal a Water Channel Connecting to the Active Site for the Second Step of Catalysis
Acta Crystallogr.,Sect.D, 71, 2015
4UMD
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CRYSTAL STRUCTURE OF 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE FROM MORAXELLA CATARRHALIS IN COMPLEX WITH CITRATE
Descriptor:3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE KDSC, CITRIC ACID
Authors:Dhindwal, S., Tomar, S., Kumar, P.
Deposit date:2014-05-16
Release date:2015-02-11
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Ligand-Bound Structures of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Phosphatase from Moraxella Catarrhalis Reveal a Water Channel Connecting to the Active Site for the Second Step of Catalysis
Acta Crystallogr.,Sect.D, 71, 2015
4UME
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CRYSTAL STRUCTURE OF 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE FROM MORAXELLA CATARRHALIS IN COMPLEX WITH MAGNESIUM ION AND KDO MOLECULE
Descriptor:3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE KDSC, 3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID, MAGNESIUM ION
Authors:Dhindwal, S., Tomar, S., Kumar, P.
Deposit date:2014-05-16
Release date:2015-02-11
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Ligand-Bound Structures of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Phosphatase from Moraxella Catarrhalis Reveal a Water Channel Connecting to the Active Site for the Second Step of Catalysis
Acta Crystallogr.,Sect.D, 71, 2015
4UMF
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CRYSTAL STRUCTURE OF 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE FROM MORAXELLA CATARRHALIS IN COMPLEX WITH MAGNESIUM ION, PHOSPHATE ION AND KDO MOLECULE
Descriptor:3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE KDSC, PHOSPHATE ION, MAGNESIUM ION, ...
Authors:Dhindwal, S., Tomar, S., Kumar, P.
Deposit date:2014-05-16
Release date:2015-02-11
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Ligand-Bound Structures of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Phosphatase from Moraxella Catarrhalis Reveal a Water Channel Connecting to the Active Site for the Second Step of Catalysis
Acta Crystallogr.,Sect.D, 71, 2015
4ZTB
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CRYSTAL STRUCTURE OF NSP2 PROTEASE FROM CHIKUNGUNYA VIRUS IN P212121 SPACE GROUP AT 2.59 A (4MOLECULES/ASU).
Descriptor:Protease nsP2, GLYCEROL
Authors:Narwal, M., Pratap, S., Singh, H., Kumar, P., Tomar, S.
Deposit date:2015-05-14
Release date:2016-06-15
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of nsP2 protease from Chikungunya virus in P212121 space group at 2.59 A (4molecules/ASU).
To Be Published
5FTW
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CRYSTAL STRUCTURE OF GLUTAMATE O-METHYLTRANSFERASE IN COMPLEX WITH S- ADENOSYL-L-HOMOCYSTEINE (SAH) FROM BACILLUS SUBTILIS
Descriptor:CHEMOTAXIS PROTEIN METHYLTRANSFERASE, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Sharma, R., Dhindwal, S., Batra, M., Aggarwal, M., Kumar, P., Tomar, S.
Deposit date:2016-01-18
Release date:2016-10-05
Last modified:2016-12-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Pentapeptide-Independent Chemotaxis Receptor Methyltransferase (Cher) Reveals Idiosyncratic Structural Determinants for Receptor Recognition.
J.Struct.Biol., 196, 2016
5GMU
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CRYSTAL STRUCTURE OF CHORISMATE MUTASE LIKE DOMAIN OF BIFUNCTIONAL DAHP SYNTHASE OF BACILLUS SUBTILIS IN COMPLEX WITH CHLOROGENIC ACID
Descriptor:Protein AroA(G), (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid, SULFATE ION
Authors:Pratap, S., Dev, A., Sharma, V., Yadav, R., Narwal, M., Tomar, S., Kumar, P.
Deposit date:2016-07-16
Release date:2017-07-26
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of Chorismate Mutase-like Domain of DAHPS from Bacillus subtilis Complexed with Novel Inhibitor Reveals Conformational Plasticity of Active Site.
Sci Rep, 7, 2017
5GO2
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CRYSTAL STRUCTURE OF CHORISMATE MUTASE LIKE DOMAIN OF BIFUNCTIONAL DAHP SYNTHASE OF BACILLUS SUBTILIS IN COMPLEX WITH CITRATE
Descriptor:Protein AroA(G), SULFATE ION, CITRIC ACID
Authors:Pratap, S., Dev, A., Sharma, V., Yadav, R., Narwal, M., Tomar, S., Kumar, P.
Deposit date:2016-07-26
Release date:2017-07-26
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (1.907 Å)
Cite:Structure of Chorismate Mutase-like Domain of DAHPS from Bacillus subtilis Complexed with Novel Inhibitor Reveals Conformational Plasticity of Active Site.
Sci Rep, 7, 2017
4AIB
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CRYSTAL STRUCTURE OF ORNITHINE DECARBOXYLASE FROM ENTAMOEBA HISTOLYTICA.
Descriptor:ORNITHINE DECARBOXYLASE
Authors:Preeti, P., Kumar, P., Tomar, S.
Deposit date:2012-02-09
Release date:2013-01-30
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structural Insight Into Dfmo Resistant Ornithine Decarboxylase from Entamoeba Histolytica: An Inkling to Adaptive Evolution.
Plos One, 8, 2013
4UON
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CRYSTAL STRUCTURE OF C-TERMINAL TRUNCATED (110-265) AURA VIRUS CAPSID PROTEASE.
Descriptor:CAPSID PROTEASE, GLYCEROL
Authors:Aggarwal, M., Kumar, P., Tomar, S.
Deposit date:2014-06-05
Release date:2014-06-18
Last modified:2014-10-22
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Trans-Protease Activity and Structural Insights Into the Active Form of the Alphavirus Capsid Protease.
J.Virol., 88, 2014
3V3M
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SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS (SARS-COV) 3CL PROTEASE IN COMPLEX WITH N-[(1R)-2-(TERT-BUTYLAMINO)-2-OXO-1-(PYRIDIN-3-YL)ETHYL]-N-(4-TERT-BUTYLPHENYL)FURAN-2-CARBOXAMIDE INHIBITOR.
Descriptor:3C-like proteinase, N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide, DIMETHYL SULFOXIDE
Authors:Jacobs, J., Grum-Tokars, V., Zhou, Y., Turlington, M., Saldanha, S.A., Chase, P., Eggler, A., Dawson, E.S., Baez-Santos, Y.M., Tomar, S., Mielech, A.M., Baker, S.C., Lindsley, C.W., Hodder, P., Mesecar, A., Stauffer, S.R.
Deposit date:2011-12-13
Release date:2013-01-16
Last modified:2013-02-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery, Synthesis, And Structure-Based Optimization of a Series of N-(tert-Butyl)-2-(N-arylamido)-2-(pyridin-3-yl) Acetamides (ML188) as Potent Noncovalent Small Molecule Inhibitors of the Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease.
J.Med.Chem., 56, 2013
3ZQ7
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THE STRUCTURE OF DNA-BINDING DOMAIN OF RESPONSE REGULATOR FROM ESCHERICHIA COLI K-12
Descriptor:KDP OPERON TRANSCRIPTIONAL REGULATORY PROTEIN KDPE
Authors:Patil, D.N., Tomar, S., Kumar, P.
Deposit date:2011-06-08
Release date:2012-03-21
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structure-Function Studies of DNA Binding Domain of Response Regulator Kdpe Reveals Equal Affinity Interactions at DNA Half-Sites.
Plos One, 7, 2012
5G4B
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CRYSTAL STRUCTURE OF AURA VIRUS CAPSID PROTEIN IN COMPLEX WITH PIPERAZINE.
Descriptor:CAPSID PROTEIN, piperazine
Authors:Aggarwal, M., Kumar, P., Tomar, S.
Deposit date:2016-05-08
Release date:2016-07-20
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal Structure of Capsid Protein from Aura Virus in Complex with Piperazine
To be Published
5H23
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CRYSTAL STRUCTURE OF CHIKUNGUNYA VIRUS CAPSID PROTEIN
Descriptor:Capsid Protein, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Sharma, R., Kesari, P., Tomar, S., Kumar, P.
Deposit date:2016-10-14
Release date:2018-03-14
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-function insights into chikungunya virus capsid protein: Small molecules targeting capsid hydrophobic pocket.
Virology, 515, 2018
2Y93
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CRYSTAL STRUCTURE OF CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE (BPHB)FROM PANDORAEA PNOMENUSA STRAIN B-356.
Descriptor:CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE
Authors:Dhindwal, S., Patil, D.N., Kumar, P.
Deposit date:2011-02-11
Release date:2011-08-31
Last modified:2011-10-26
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Biochemical Studies and Ligand-Bound Structures of Biphenyl Dehydrogenase from Pandoraea Pnomenusa Strain B-356 Reveal a Basis for Broad Specificity of the Enzyme.
J.Biol.Chem., 286, 2011
2Y99
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CRYSTAL STRUCTURE OF CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE (BPHB)FROM PANDORAEA PNOMENUSA STRAIN B-356 COMPLEX WITH CO-ENZYME NAD
Descriptor:CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Dhindwal, S., Patil, D.N., Kumar, P.
Deposit date:2011-02-12
Release date:2011-08-31
Last modified:2011-10-26
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Biochemical Studies and Ligand-Bound Structures of Biphenyl Dehydrogenase from Pandoraea Pnomenusa Strain B-356 Reveal a Basis for Broad Specificity of the Enzyme.
J.Biol.Chem., 286, 2011
3ZV3
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CRYSTAL STRUCTURE OF CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE (BPHB)FROM PANDORAEA PNOMENUSA STRAIN B-356 IN INTERMEDIATE STATE OF SUBSTRATE BINDING LOOP
Descriptor:CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE
Authors:Dhindwal, S., Patil, D.N., Kumar, P.
Deposit date:2011-07-23
Release date:2011-08-31
Last modified:2011-10-26
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Biochemical Studies and Ligand-Bound Structures of Biphenyl Dehydrogenase from Pandoraea Pnomenusa Strain B-356 Reveal a Basis for Broad Specificity of the Enzyme.
J.Biol.Chem., 286, 2011
3ZV4
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CRYSTAL STRUCTURE OF CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE (BPHB) FROM PANDORAEA PNOMENUSA STRAIN B-356 IN APO FORM AT 1.8 ANGSTROM
Descriptor:CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE
Authors:Dhindwal, S., Patil, D.N., Kumar, P.
Deposit date:2011-07-23
Release date:2011-08-31
Last modified:2011-10-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical Studies and Ligand-Bound Structures of Biphenyl Dehydrogenase from Pandoraea Pnomenusa Strain B-356 Reveal a Basis for Broad Specificity of the Enzyme.
J.Biol.Chem., 286, 2011
3ZV5
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CRYSTAL STRUCTURE OF CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE (BPHB) FROM PANDORAEA PNOMENUSA STRAIN B-356 COMPLEX WITH CO-ENZYME NAD AND PRODUCT 2,3-DIHYDROXYBIPHENYL
Descriptor:CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, BIPHENYL-2,3-DIOL
Authors:Dhindwal, S., Patil, D.N., Kumar, P.
Deposit date:2011-07-23
Release date:2011-08-31
Last modified:2011-10-26
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Biochemical Studies and Ligand-Bound Structures of Biphenyl Dehydrogenase from Pandoraea Pnomenusa Strain B-356 Reveal a Basis for Broad Specificity of the Enzyme.
J.Biol.Chem., 286, 2011
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