3-(4-Chlorophenyl)-7-methyl-4-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.5]dec-2-en-10-one (2008)
D. Gayathri, D. Velmurugan, R. Ranjith Kumar, S. Perumal, K. Ravikumar
In the title compound, C21H21ClN2O2, the dihydroisoxazole ring adopts an envelope conformation and the piperidinone ring is in a chair conformation. The dihedral angle between the two benzene rings...
1-{2-[(Anthracen-10-yl)methyleneamino]phenyl}-3-phenylthiourea (2008)
D. Gayathri, D. Velmurugan, K. Ravikumar, S. Devaraj, M. Kandaswamy
The title compound, C28H21N3S, crystallizes with two molecules in the asymmetric unit. There are only very slight differences in the torsion angles between the two molecules. The two molecules are...
r-2,c-6-Bis(4-fluorophenyl)-t-3,t-5-dimethylpiperidin-4-one (2008)
D. Gayathri, D. Velmurugan, G. Aridoss, S. Kabilan, K. Ravikumar
In the title compound, C19H19F2NO, the piperidinone ring adopts a chair conformation. The crystal packing is stabilized by C—H...O and C—H...F intermolecular interactions, generating...
S. Sundaramoorthy, D. Gayathri, D. Velmurugan, M. Poornachandran, K. Ravikumar
The thiazolidine ring and the pyrrolidine ring in the title compound, C25H26N2O2S, both adopt an envelope conformation. The seven-membered ring has a twist-chair conformation. The crystal packing is...
N-(1-Acetyl-r-7,c-9-diphenyl-4,8-dithia-1,2-diazaspiro[5.4]dec-2-en-3-yl)acetamide (2008)
D. Gayathri, D. Velmurugan, S. Umamatheswari, S. Kabilan, K. Ravikumar
In the title compound, C22H23N3O2S2, the five-membered ring is planar and the C5S ring adopts a chair conformation. The crystal packing is stabilized by intermolecular N—H...O and C—H...O...
D. Gayathri, D. Velmurugan, G. Shanthi, P. T. Perumal, K. Ravikumar
In the title compound, C22H12N6O2·2H2O, the cyclopentene ring adopts an envelope conformation, with the spiro C atom bonded to the dicyano-substituted C atom deviating by...
3-(4-Methoxyphenyl)-6-(phenylsulfonyl)perhydro-1,3-thiazolo[3′,4′:1,2]pyrrolo[4,5-c]pyrrole (2008)
S. Sundaramoorthy, D. Gayathri, D. Velmurugan, K. Ravikumar, M. Poornachandran
In the title compound, C21H24N2O3S2, the three five-membered rings adopt envelope conformations. The dihedral angle between the two aromatic rings is 68.4 (1)°. C—H...O interactions...
3-[(E)-2,4-Dichlorobenzylidene]-1-methylpiperidin-4-one (2008)
D. Gayathri, D. Velmurugan, R. Ranjith Kumar, S. Perumal, K. Ravikumar
The piperidine ring of the title compound, C13H13Cl2NO, adopts an envelope conformation. Intermolecular C—H...O interactions link the molecules into a C(7) chain running along the b axis.
3-[(E)-4-Methoxybenzylidene]-1-methylpiperidin-4-one (2008)
D. Gayathri, D. Velmurugan, R. Ranjith Kumar, S. Perumal, K. Ravikumar
The piperidone ring of the title compound, C14H17NO2, adopts a half-chair conformation. The crystal packing is stabilized by intermolecular C—H...O interactions, which generate a C(8) chain...
Sekar, K, Yogavel, M, Gayathri, D, Velmurugan, D, Krishna, R, Poi, MJ, ...
The structure of the double mutant K53,56M has previously been refined at 1.9 A resolution using room-temperature data. The present paper reports the crystal structure of the same mutant K53,56M...
Sekar, K, Yogavel, M, Gayathri, D, Velmurugan, D, Krishna, R, Poi, MJ, ...
The structure of the double mutant K53,56M has previously been refined at 1.9 A resolution using room-temperature data. The present paper reports the crystal structure of the same mutant K53,56M...
Sekar, K, Rajakannan, V, Gayathri, D, Velmurugan, D, Poi, MJ, Dauter, M, ...
The enzyme phospholipase $A_{2}$ catalyzes the hydrolysis of the sn-2 acyl chain of phospholipids, forming fatty acids and lysophospholipids. The crystal structure of a triple mutant (K53,56,121M) of...
Sekar, K, Rajakannan, V, Gayathri, D, Velmurugan, D, Poi, MJ, Dauter, M, ...
The enzyme phospholipase $A_{2}$ catalyzes the hydrolysis of the sn-2 acyl chain of phospholipids, forming fatty acids and lysophospholipids. The crystal structure of a triple mutant (K53,56,121M) of...
Sekar, K, Rajakannan, V, Velmurugan, D, Yamane, T, Thirumurugan, R, Dauter, M, ...
The crystal structure of the triple mutant K53,56,120M of bovine pancreatic phospholipase A(2) has been redetermined using sulfur single-wavelength anomalous scattering. The synchrotron data-were...
Sekar, K, Rajakannan, V, Velmurugan, D, Yamane, T, Thirumurugan, R, Dauter, M, ...
The crystal structure of the triple mutant K53,56,120M of bovine pancreatic phospholipase A(2) has been redetermined using sulfur single-wavelength anomalous scattering. The synchrotron data-were...
Crystal Structures of the Free and Anisic Acid Bound Triple Mutant of Phospholipase $A_2$ (2003)
Sekar, K, Mala, Vaijayanthi S, Yogavel, M, Velmurugan, D, Poi, Ming-Jye, Vishwanath, BS, ...
Phospholipase $A_2$ catalyses the hydrolysis of the ester bond of 3-sn-phosphoglycerides. Here, we report the crystal structures of the free and anisic acid-bound triple mutant (K53,56,120M) of...
Side-chain conformation angles of amino acids: effect of temperature factor cut-off (2003)
Bhargavi, Ramya G, Sheik, SS, Velmurugan, D, Sekar, K
The paper presents the analysis of the side-chain conformation angles of amino acids in 90% non-identical protein structures. The analysis has been carried out using 113,699 residues, which is higher...
Crystal and molecular structure of 2,6-bis(4 fluorobenzylidene)cyclohexanone (2003)
Ompraba, G, Rafi, ZA, Yogavel, M, Velmurugan, D, Sekar, K, Karthikeyan, E, ...
The title compound, $C_20H_1_6F_2O$, crystallizes in triclinic system with P1 space group and the unit cell parameters are: a = 9.700(5), b = 11.834(6), c = 14.315(7) $A^o$, \alpha = 78.464(9), \beta...
Side-chain conformation angles of amino acids: effect of temperature factor cut-off (2003)
Bhargavi, Ramya G, Sheik, SS, Velmurugan, D, Sekar, K
The paper presents the analysis of the side-chain conformation angles of amino acids in 90% non-identical protein structures. The analysis has been carried out using 113,699 residues, which is higher...
Crystal Structures of the Free and Anisic Acid Bound Triple Mutant of Phospholipase $A_2$ (2003)
Sekar, K, Mala, Vaijayanthi S, Yogavel, M, Velmurugan, D, Poi, Ming-Jye, Vishwanath, BS, ...
Phospholipase $A_2$ catalyses the hydrolysis of the ester bond of 3-sn-phosphoglycerides. Here, we report the crystal structures of the free and anisic acid-bound triple mutant (K53,56,120M) of...
3-benzoyl-2-hydroxy-2-methylchromene. (2003)
Yogavel, M., Velmurugan, D., Sekar, K., Schenk, H., Fraanje, J., Peschar, R., ...
3-Acetyl-2-hydroxy-2-methylchromene (2003)
Yogavel, M., Velmurugan, D., Sekar, K., Schenk, H., Fraanje, J., Peschar, R., ...
Crystal and molecular structure of 2,6-bis(4 fluorobenzylidene)cyclohexanone (2003)
Ompraba, G, Rafi, ZA, Yogavel, M, Velmurugan, D, Sekar, K, Karthikeyan, E, ...
The title compound, $C_20H_1_6F_2O$, crystallizes in triclinic system with P1 space group and the unit cell parameters are: a = 9.700(5), b = 11.834(6), c = 14.315(7) $A^o$, \alpha = 78.464(9), \beta...
The Crystal Structure of 4-(2-Chlorobenzyl)-5-phenyl-1,2,4-triazole (2002)
Rajakannan, V, Govindasamy, L, Velmurugan, D, Sekar, K, Senthilvelan, A, Raj, Shanmuga Sundar S, ...
The crystal structure of the title compound [CCDC No. 157498], $C_1_5H_1_2N_3Cl$, contains a 1,2,4-triazole moiety substituted with a phenyl ring and methyl chlorophenyl group as exogenous...
Crystal and Molecular Structure of an Acridinedione (2002)
Jeyakanthan, J, Yogavel, M, Rajan, Joseph T, Velmurugan, D, Sekar, K
The title compound, 10-(4-hydroxybenzoylamino)-3,4,6,7,9,10-hexahydro-1,8-(2H,5H)-acridinedione monohydrate, $C_20H_2_2N_2O_4.H_2O$, consists of partially hydrogenated acridine moiety with one...
The Crystal Structure of 4-(2-Chlorobenzyl)-5-phenyl-1,2,4-triazole (2002)
Rajakannan, V, Govindasamy, L, Velmurugan, D, Sekar, K, Senthilvelan, A, Raj, Shanmuga Sundar S, ...
The crystal structure of the title compound [CCDC No. 157498], $C_1_5H_1_2N_3Cl$, contains a 1,2,4-triazole moiety substituted with a phenyl ring and methyl chlorophenyl group as exogenous...
Crystal and Molecular Structure of an Acridinedione (2002)
Jeyakanthan, J, Yogavel, M, Rajan, Joseph T, Velmurugan, D, Sekar, K
The title compound, 10-(4-hydroxybenzoylamino)-3,4,6,7,9,10-hexahydro-1,8-(2H,5H)-acridinedione monohydrate, $C_20H_2_2N_2O_4.H_2O$, consists of partially hydrogenated acridine moiety with one...
Kaul, Ramesh, Banumathi, S, Velmurugan, D, Rao, Balaji R, Balaram, P
The conformational analysis of peptides containing a single alpha,alpha-di-n-propylglycine (Dpg) residue incorporated into valine-rich sequences has been undertaken in order to delineate the possible...
Context-dependent conformation of diethylglycine residues in peptides (2000)
Kaul, R, Balaram, P, Banumathi, S, Velmurugan, D, Ravikumar, K, Rao, Balaji R
Diethylglycine (Deg) residues incorporated into peptides can stabilize fully extended $(C_5)$ or helical conformations. The conformations of three tetrapeptides Boc-Xxx-Deg-Xxx-Deg-OMe (Xxx = Gly,...
Kaul, Ramesh, Banumathi, S, Velmurugan, D, Rao, Balaji R, Balaram, P
The conformational analysis of peptides containing a single alpha,alpha-di-n-propylglycine (Dpg) residue incorporated into valine-rich sequences has been undertaken in order to delineate the possible...
Context-dependent conformation of diethylglycine residues in peptides (2000)
Kaul, R, Balaram, P, Banumathi, S, Velmurugan, D, Ravikumar, K, Rao, Balaji R
Diethylglycine (Deg) residues incorporated into peptides can stabilize fully extended $(C_5)$ or helical conformations. The conformations of three tetrapeptides Boc-Xxx-Deg-Xxx-Deg-OMe (Xxx = Gly,...
Raghothama, S, Chaddha, Manjula, Banumathi, S, Ravikumar, Krishnan, Velmurugan, D, Balaram, P
The crystal structure of the model tripeptide Boc-Aib-Gly-Leu-OMe (1) reveals two independent molecules in the asymmetric unit that adopt ‘‘enantiomeric’’ type I and type I’ beta-turn...
Raghothama, S, Chaddha, Manjula, Banumathi, S, Ravikumar, Krishnan, Velmurugan, D, Balaram, P
The crystal structure of the model tripeptide Boc-Aib-Gly-Leu-OMe (1) reveals two independent molecules in the asymmetric unit that adopt ‘‘enantiomeric’’ type I and type I’ beta-turn...
Prasad, S, Mitra, S, Subramanian, E, Velmurugan, D, Rao, RB, Balaram, P
The crystal structure of the tripeptide Boc-Leu-Dpg-Val-OMe (Dpg, alpha, alpha-di-n-propylglycine) reveals the coexistence of two distinct backbone conformations. In molecule A the Dpg residue adopts...
Prasad, S, Mitra, S, Subramanian, E, Velmurugan, D, Rao, RB, Balaram, P
The crystal structure of the tripeptide Boc-Leu-Dpg-Val-OMe (Dpg, alpha, alpha-di-n-propylglycine) reveals the coexistence of two distinct backbone conformations. In molecule A the Dpg residue adopts...
Sekar, K., Rajakannan, V., Gayathri, D., Velmurugan, D., Dauter, M., ...
The crystal structure of a triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2 has been solved at atomic resolution (0.97 Å) and the refined model features the presence of a second...
Atomic resolution structure of the double mutant (K53,56M) of bovine pancreatic phospholipase A2
Sekar, K., Yogavel, M., Gayathri, D., Velmurugan, D., Krishna, R., ...
The atomic resolution crystal structure of the double mutant (K53,56M) of bovine pancreatic phospholipase A2 is reported.