4MAV
 
 | | Crystal structure of signaling protein SPB-40 complexed with 5-hydroxymethyl oxalanetriol at 2.80 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 1, GLYCEROL, ... | | Authors: | Yamini, S, Chaudhary, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-08-17 | | Release date: | 2013-09-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Crystal structure of signaling protein SPB-40 complexed with 5-hydroxymethyl oxalanetriol at 2.80 A resolution
To be Published
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4ML4
 | | Crystal structure of the complex of signaling glycoprotein from buffalo (SPB-40) with tetrahydropyran at 2.5 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 1, TETRAHYDROPYRAN | | Authors: | Yamini, S, Chaudhary, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-09-06 | | Release date: | 2013-09-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the complex of signaling glycoprotein from buffalo (SPB-40) with tetrahydropyran at 2.5 A resolution
To be Published
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4LT4
 | | Crystal structure of arginine inhibited Ribosome inactivating protein from Momordica balsamina at 1.69 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ARGININE, GLYCEROL, ... | | Authors: | Yamini, S, Pandey, S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-07-23 | | Release date: | 2013-08-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystal structure of arginine inhibited Ribosome inactivating protein from Momordica balsamina at 1.69 A resolution
To be Published
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8GOD
 | | Co-crystal structure of Human Protein-arginine deiminase type-4 (PAD4) with small molecule inhibitor JBI-589 | | Descriptor: | Protein-arginine deiminase type-4, [(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone | | Authors: | Swaminathan, S, Birudukota, S, Vaithilingam, K, Kandan, S, Asaithambi, K, Kathiresan, N, Gosu, R, Rajagopal, S, Sadhu, N. | | Deposit date: | 2022-08-24 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Alleviation of arthritis through prevention of neutrophil extracellular traps by an orally available inhibitor of protein arginine deiminase 4.
Sci Rep, 13, 2023
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5LG9
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4GBG
 | | Crystal structure of Ethyl acetoacetate treated lipase from Thermomyces lanuginosa at 2.9 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase, ethyl 3-oxobutanoate | | Authors: | Yamini, S, Mukherjee, J, Gupta, M.N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-07-27 | | Release date: | 2012-08-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of Ethyl acetoacetate treated lipase from Thermomyces lanuginosa at 2.9 A resolution
To be Published
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4GHW
 | | Crystal structure of the complex of Fungal lipase from Thermomyces lanuginosa with decanoic acid at 2.6 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DECANOIC ACID, Lipase | | Authors: | Yamini, S, Sinha, M, Mukherjee, J, Gupta, M.N, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-08-08 | | Release date: | 2012-10-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the complex of Fungal lipase from Thermomyces lanuginosa with decanoic acid at 2.6 A resolution
To be Published
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5YXZ
 | | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI484 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-8-fluoranyl-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, ... | | Authors: | Swaminathan, S, Thakur, M.K, Kandan, S, Gautam, A, Kanavalli, M, Simhadri, P, Gosu, R. | | Deposit date: | 2017-12-07 | | Release date: | 2018-04-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI484
To Be Published
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5YY1
 | | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, ... | | Authors: | Swaminathan, S, Thakur, M.K, Kandan, S, Gautam, A, Kanavalli, M, Simhadri, P, Gosu, R. | | Deposit date: | 2017-12-07 | | Release date: | 2018-04-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739
To Be Published
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4NSB
 | | Crystal structure of the complex of signaling glycoprotein, SPB-40 and N-acetyl salicylic acid at 3.05 A resolution | | Descriptor: | 2-(ACETYLOXY)BENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 1 | | Authors: | Yamini, S, Chaudhary, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-11-28 | | Release date: | 2013-12-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Crystal structure of the complex of signaling glycoprotein, SPB-40 and N-acetyl salicylic acid at 3.05 A resolution
To be Published
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4EMF
 | | Crystal structure of the complex of type I Ribosome inactivating protein in complex with 7n-methyl-8-hydroguanosine-5-p-diphosphate at 1.77 A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Yamini, S, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-04-12 | | Release date: | 2012-05-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | First structural evidence of sequestration of mRNA cap structures by type 1 ribosome inactivating protein from Momordica balsamina.
Proteins, 81, 2013
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1EPW
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4DWM
 | | Crystal structure of the complex of type I Ribosome inactivating protein with N-acetylglucosamine at 1.62 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, rRNA N-glycosidase | | Authors: | Yamini, S, Pandey, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-02-25 | | Release date: | 2012-03-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Crystal structure of the complex of type I Ribosome inactivating protein with N-acetylglucosamine at 1.62 A resolution
To be Published
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4F9N
 | | Crystal structure of the complex of type I Ribosome inactivating protein from Momordica balsamina with N7-methylated guanine at 2.65 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one, Ribosome inactivating protein | | Authors: | Yamini, S, Kushwaha, G.S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-05-19 | | Release date: | 2012-06-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structure of the complex of type I Ribosome inactivating protein from Momordica balsamina with N7-methylated guanine at 2.65 A resolution
To be Published
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4MPK
 | | Crystal structure of the complex of buffalo signaling protein SPB-40 with N-acetylglucosamine at 2.65 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 1, GLYCEROL | | Authors: | Yamini, S, Chaudhary, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-09-13 | | Release date: | 2013-11-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structure of the complex of buffalo signaling protein SPB-40 with N-acetylglucosamine at 2.65 A resolution
To be Published
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1I4X
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7EU5
 | | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with tricyclic small molecule inhibitor JBSNF-000107 | | Descriptor: | 6-fluoranyl-10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Swaminathan, S, Gosu, R, Birudukota, S, Kandan, S, Vaithilingam, K. | | Deposit date: | 2021-05-16 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.731 Å) | | Cite: | Novel tricyclic small molecule inhibitors of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 12, 2022
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7ET7
 | | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with tricyclic small molecule inhibitor JBSNF-000028 | | Descriptor: | 10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Swaminathan, S, Gosu, R, Birudukota, S, Kandan, S, Vaithilingam, K. | | Deposit date: | 2021-05-12 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Novel tricyclic small molecule inhibitors of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 12, 2022
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4FOT
 | | Crystal structure of Peptidyl- tRNA Hydrolase from Acinetobacter baumannii at 2.20 A resolution | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Yamini, S, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-06-21 | | Release date: | 2012-07-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii
Plos One, 8, 2013
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4HOA
 | | Crystal structure of the complex of type 1 ribosome inactivating protein from Momordica Balsamina with B-D-galactopyranosyl-(1-4)-D-glucose at 2.0 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | | Authors: | Yamini, S, Pandey, N, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-10-22 | | Release date: | 2012-11-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the complex of type 1 ribosome inactivating protein from Momordica Balsamina with B-D-galactopyranosyl-(1-4)-D-glucose at 2.0 A resolution
To be Published
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4FZ9
 | | Crystal structure of the complex of Ribosome inactivating protein from Momordica Balsamina with disaccharide, N-Acetylglucosamine (beta-1, 4) Mannose at 1.7 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yamini, S, Pandey, S, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-07-06 | | Release date: | 2012-08-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the complex of Ribosome inactivating protein from Momordica Balsamina with disaccharide, N-Acetylglucosamine (beta-1, 4) Mannose at 1.7 A resolution
To be Published
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1F31
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4HOY
 | | Crystal structure of Peptidyl- tRNA Hydrolase from Acinetobacter baumannii at 1.78 A resolution | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Yamini, S, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-10-23 | | Release date: | 2012-11-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii
Plos One, 8, 2013
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4I47
 | | Crystal structure of the Ribosome inactivating protein complexed with methylated guanine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one, rRNA N-glycosidase | | Authors: | Yamini, S, Kushwaha, G.S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-11-27 | | Release date: | 2012-12-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | First structural evidence of sequestration of mRNA cap structures by type 1 ribosome inactivating protein from Momordica balsamina.
Proteins, 81, 2013
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2EUI
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