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4YLU
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BU of 4ylu by Molmil
X-ray structure of MERS-CoV nsp5 protease bound with a non-covalent inhibitor
Descriptor: ACETATE ION, N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide, ORF1a protein
Authors:Tomar, S, Mesecar, A.D.
Deposit date:2015-03-05
Release date:2015-06-17
Last modified:2024-02-28
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
4RSP
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BU of 4rsp by Molmil
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:2023-12-06
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
1RMR
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BU of 1rmr by Molmil
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
5GMU
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BU of 5gmu by Molmil
Crystal structure of chorismate mutase like domain of bifunctional DAHP synthase of Bacillus subtilis in complex with Chlorogenic acid
Descriptor: (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid, Protein AroA(G), 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:2023-11-08
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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BU of 5go2 by Molmil
Crystal structure of chorismate mutase like domain of bifunctional DAHP synthase of Bacillus subtilis in complex with Citrate
Descriptor: CITRIC ACID, Protein AroA(G), SULFATE ION
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:2023-11-08
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
5FTW
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BU of 5ftw by Molmil
Crystal structure of glutamate O-methyltransferase in complex with S- adenosyl-L-homocysteine (SAH) from Bacillus subtilis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHEMOTAXIS PROTEIN METHYLTRANSFERASE, GLYCEROL, ...
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:2024-01-10
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
5H23
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BU of 5h23 by Molmil
Crystal structure of Chikungunya virus capsid protein
Descriptor: 1,2-ETHANEDIOL, Capsid Protein, DI(HYDROXYETHYL)ETHER, ...
Authors:Sharma, R, Kesari, P, Tomar, S, Kumar, P.
Deposit date:2016-10-14
Release date:2018-03-14
Last modified:2023-11-08
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
5G4B
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BU of 5g4b by Molmil
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:2024-01-10
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal Structure of Capsid Protein from Aura Virus in Complex with Piperazine
To be Published
4ZTB
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BU of 4ztb by Molmil
Crystal structure of nsP2 protease from Chikungunya virus in P212121 space group at 2.59 A (4molecules/ASU).
Descriptor: GLYCEROL, Protease nsP2
Authors:Narwal, M, Pratap, S, Singh, H, Kumar, P, Tomar, S.
Deposit date:2015-05-14
Release date:2016-06-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of chikungunya virus nsP2 cysteine protease reveals a putative flexible loop blocking its active site.
Int.J.Biol.Macromol., 116, 2018
4UMF
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BU of 4umf by Molmil
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, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, MAGNESIUM ION, ...
Authors:Dhindwal, S, Tomar, S, Kumar, P.
Deposit date:2014-05-16
Release date:2015-02-11
Last modified:2024-01-10
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
4UME
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BU of 4ume by Molmil
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-alpha-D-manno-oct-2-ulopyranosonic acid, MAGNESIUM ION
Authors:Dhindwal, S, Tomar, S, Kumar, P.
Deposit date:2014-05-16
Release date:2015-02-11
Last modified:2024-01-10
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
4UM7
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BU of 4um7 by Molmil
Crystal structure of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase (kdsC) from Moraxella catarrhalis in complex with Magnesium ion
Descriptor: 1,2-ETHANEDIOL, 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE KDSC, MAGNESIUM ION
Authors:Dhindwal, S, Tomar, S, Kumar, P.
Deposit date:2014-05-15
Release date:2015-02-11
Last modified:2024-01-10
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
4UM5
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BU of 4um5 by Molmil
Crystal structure of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Moraxella catarrhalis in complex with Magnesium ion and Phosphate ion
Descriptor: 1,2-ETHANEDIOL, 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE KDSC, MAGNESIUM ION, ...
Authors:Dhindwal, S, Tomar, S, Kumar, P.
Deposit date:2014-05-15
Release date:2015-02-11
Last modified:2024-01-10
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
4UMD
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BU of 4umd by Molmil
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:2024-01-10
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
4UON
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BU of 4uon by Molmil
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:2024-01-10
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
4AGJ
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BU of 4agj by Molmil
Crystal structure of the capsid protein (110-267) from Aura virus in complex with dioxane
Descriptor: 1,4-DIETHYLENE DIOXIDE, CAPSID PROTEIN
Authors:Aggarwal, M, Kumar, P, Tomar, S.
Deposit date:2012-01-30
Release date:2012-12-26
Last modified:2023-12-20
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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BU of 4agk by Molmil
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:2023-12-20
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
3V3M
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BU of 3v3m by Molmil
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, DIMETHYL SULFOXIDE, N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
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:2024-02-28
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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BU of 3zq7 by Molmil
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:2023-12-20
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
5ZEF
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BU of 5zef by Molmil
Crystal structure of Entamoeba histolytica Arginase in complex with L- Norvaline at 2.01 A
Descriptor: 1,2-ETHANEDIOL, Arginase, GLYCEROL, ...
Authors:Malik, A, Dalal, V, Ankri, S, Tomar, S.
Deposit date:2018-02-27
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural insights into Entamoeba histolytica arginase and structure-based identification of novel non-amino acid based inhibitors as potential antiamoebic molecules.
Febs J., 286, 2019
5ZEH
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BU of 5zeh by Molmil
Crystal structure of Entamoeba histolytica Arginase in complex with L- Ornithine at 2.35 A
Descriptor: 1,2-ETHANEDIOL, Arginase, L-ornithine, ...
Authors:Malik, A, Dalal, V, Ankri, S, Tomar, S.
Deposit date:2018-02-27
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural insights into Entamoeba histolytica arginase and structure-based identification of novel non-amino acid based inhibitors as potential antiamoebic molecules.
Febs J., 286, 2019
5ZEE
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BU of 5zee by Molmil
Crystal structure of Entamoeba histolytica Arginase in complex with N(omega)-hydroxy-L-arginine (NOHA) at 1.74 A
Descriptor: 1,2-ETHANEDIOL, Arginase, MANGANESE (II) ION, ...
Authors:Malik, A, Dalal, V, Ankri, S, Tomar, S.
Deposit date:2018-02-27
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural insights into Entamoeba histolytica arginase and structure-based identification of novel non-amino acid based inhibitors as potential antiamoebic molecules.
Febs J., 286, 2019
4AIB
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BU of 4aib by Molmil
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
Last modified:2023-12-20
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
2Y99
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BU of 2y99 by Molmil
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:2023-12-20
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
2Y93
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BU of 2y93 by Molmil
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:2023-12-20
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

 

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