7C73
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![BU of 7c73 by Molmil](/molmil-images/mine/7c73) | Crystal structure of yak lactoperoxidase using data obtained from crystals soaked in MgCl2 at 2.70 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lactoperoxidase, ... | Authors: | Singh, P.K, Pandey, S.N, Rani, C, Ahmad, N, Viswanathan, V, Sharma, P, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2020-05-22 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Potassium-induced partial inhibition of lactoperoxidase: structure of the complex of lactoperoxidase with potassium ion at 2.20 angstrom resolution. J.Biol.Inorg.Chem., 26, 2021
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6T3L
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![BU of 6t3l by Molmil](/molmil-images/mine/6t3l) | PAS-GAF fragment from Deinococcus radiodurans phytochrome in dark state | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | Authors: | Claesson, E, Takala, H, Yuan Wahlgren, W, Pandey, S, Schmidt, M, Westenhoff, S. | Deposit date: | 2019-10-11 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | The primary structural photoresponse of phytochrome proteins captured by a femtosecond X-ray laser. Elife, 9, 2020
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6T3U
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![BU of 6t3u by Molmil](/molmil-images/mine/6t3u) | PAS-GAF fragment from Deinococcus radiodurans phytochrome 1ps after photoexcitation | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | Authors: | Claesson, E, Takala, H, Yuan Wahlgren, W, Pandey, S, Schmidt, M, Westenhoff, S. | Deposit date: | 2019-10-11 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | The primary structural photoresponse of phytochrome proteins captured by a femtosecond X-ray laser. Elife, 9, 2020
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4WF5
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![BU of 4wf5 by Molmil](/molmil-images/mine/4wf5) | Crystal structure of E.Coli DsbA soaked with compound 4 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, COPPER (II) ION, ... | Authors: | Adams, L.A, Sharma, P, Mohanty, B, Ilyichova, O.V, Mulcair, M.D, Williams, M.L, Gleeson, E.C, Totsika, M, Doak, B.C, Caria, S, Rimmer, K, Shouldice, S.R, Vazirani, M, Headey, S.J, Plumb, B.R, Martin, J.L, Heras, B, Simpson, J.S, Scanlon, M.J. | Deposit date: | 2014-09-12 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA. Angew.Chem.Int.Ed.Engl., 54, 2015
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4WEY
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![BU of 4wey by Molmil](/molmil-images/mine/4wey) | Crystal structure of E.Coli DsbA in complex with compound 17 | Descriptor: | 1,2-ETHANEDIOL, N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-serine, Thiol:disulfide interchange protein | Authors: | Adams, L.A, Sharma, P, Mohanty, B, Ilyichova, O.V, Mulcair, M.D, Williams, M.L, Gleeson, E.C, Totsika, M, Doak, B.C, Caria, S, Rimmer, K, Shouldice, S.R, Vazirani, M, Headey, S.J, Plumb, B.R, Martin, J.L, Heras, B, Simpson, J.S, Scanlon, M.J. | Deposit date: | 2014-09-11 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA. Angew.Chem.Int.Ed.Engl., 54, 2015
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4WF4
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![BU of 4wf4 by Molmil](/molmil-images/mine/4wf4) | Crystal structure of E.Coli DsbA co-crystallised in complex with compound 4 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid, Thiol:disulfide interchange protein | Authors: | Adams, L.A, Sharma, P, Mohanty, B, Ilyichova, O.V, Mulcair, M.D, Williams, M.L, Gleeson, E.C, Totsika, M, Doak, B.C, Caria, S, Rimmer, K, Shouldice, S.R, Vazirani, M, Headey, S.J, Plumb, B.R, Martin, J.L, Heras, B, Simpson, J.S, Scanlon, M.J. | Deposit date: | 2014-09-12 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA. Angew.Chem.Int.Ed.Engl., 54, 2015
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4XNN
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![BU of 4xnn by Molmil](/molmil-images/mine/4xnn) | Crystal Structure of a GH7 Family Cellobiohydrolase from Daphnia pulex | Descriptor: | Cellobiohydrolase CHBI, GLYCEROL | Authors: | Ebrahim, A, Hobdey, S.E, Podkaminer, K, Taylor II, L.E, Beckham, G.T, Decker, S.R, Himmel, M.E, Cragg, S.M, McGeehan, J.E. | Deposit date: | 2015-01-15 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of a GH7 Family Cellobiohydrolase from Daphnia pulex To Be Published
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4XY7
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![BU of 4xy7 by Molmil](/molmil-images/mine/4xy7) | Crystal structure of the complex of ribosome inactivating protein from Momordica balsamina with N-acetylglucosamine at 2.5 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ribosome inactivating protein | Authors: | Yamini, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2015-02-02 | Release date: | 2015-09-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the complex of ribosome inactivating protein from Momordica balsamina with N- acetylglucosamine at 2.5 A resolution To Be Published
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8EOM
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![BU of 8eom by Molmil](/molmil-images/mine/8eom) | TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-5973 | Descriptor: | 4-(4-methylpiperazine-1-sulfonyl)benzamide, SULFATE ION, TP53-binding protein 1, ... | Authors: | The, J, Hong, Z, Headey, S, Gunzburg, M, Doak, B, James, L.I, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2022-10-03 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-5973 to be published
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8F0W
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![BU of 8f0w by Molmil](/molmil-images/mine/8f0w) | Tudor Domain of Tumor suppressor p53BP1 with MFP-5956 | Descriptor: | 1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]butan-1-one, TP53-binding protein 1, UNKNOWN ATOM OR ION | Authors: | The, J, Hong, Z, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-04 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Tudor Domain of Tumor suppressor p53BP1 with MFP-5956 to be published
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6LQW
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![BU of 6lqw by Molmil](/molmil-images/mine/6lqw) | Crystal structure of a dimeric yak lactoperoxidase at 2.59 A resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Viswanathan, V, Pandey, S.N, Ahmad, N, Rani, C, Sharma, P, Sharma, S, Singh, T.P. | Deposit date: | 2020-01-14 | Release date: | 2020-01-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of a dimeric yak lactoperoxidase at 2.59 A resolution. To Be Published
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4DWM
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![BU of 4dwm by Molmil](/molmil-images/mine/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: | 2023-11-08 | 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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5Y48
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![BU of 5y48 by Molmil](/molmil-images/mine/5y48) | Crystal structure of the complex of Ribosome inactivating protein from Momordica balsamina with Pyrimidine-2,4-dione at 1.70 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Ribosome inactivating protein, URACIL | Authors: | Singh, P.K, Pandey, S, Iqbal, N, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2017-08-01 | Release date: | 2017-09-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Binding and structural studies of the complexes of type 1 ribosome inactivating protein from Momordica balsamina with uracil and uridine. Proteins, 87, 2019
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5ILW
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![BU of 5ilw by Molmil](/molmil-images/mine/5ilw) | Crystal structure of the complex of type 1 Ribosome inactivating protein from Momordica balsamina with Uridine at 1.97 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ribosome inactivating protein, ... | Authors: | Singh, P.K, Pandey, S, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2016-03-05 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Binding and structural studies of the complexes of type 1 ribosome inactivating protein from Momordica balsamina with uracil and uridine. Proteins, 87, 2019
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3GNM
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![BU of 3gnm by Molmil](/molmil-images/mine/3gnm) | The crystal structure of the JAA-F11 monoclonal antibody Fab fragment | Descriptor: | 1,2-ETHANEDIOL, JAA-F11 Fab Antibody Fragment, Heavy Chain, ... | Authors: | Gulick, A.M, Rittenhouse-Olson, K, Jadey, S. | Deposit date: | 2009-03-17 | Release date: | 2010-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Computational Screening of the Human TF-Glycome Provides a Structural Definition for the Specificity of Anti-Tumor Antibody JAA-F11. Plos One, 8, 2013
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5ILX
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![BU of 5ilx by Molmil](/molmil-images/mine/5ilx) | Crystal structure of Ribosome inactivating protein from Momordica balsamina with Uracil at 1.70 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Ribosome inactivating protein, ... | Authors: | Singh, P.K, Singh, A, Pandey, S, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2016-03-05 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of Ribosome inactivating protein from Momordica balsamina with Uracil at 1.70 Angstrom resolution To Be Published
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5TLQ
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![BU of 5tlq by Molmil](/molmil-images/mine/5tlq) | Model structure of the oxidized PaDsbA1 and 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine complex | Descriptor: | 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, Thiol:disulfide interchange protein DsbA | Authors: | Mohanty, B, Rimmer, K.A, McMahon, R.M, Headey, S.J, Vazirani, M, Shouldice, S.R, Coincon, M, Tay, S, Morton, C.J, Simpson, J.S, Martin, J.L, Scanlon, M.S. | Deposit date: | 2016-10-11 | Release date: | 2017-04-12 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1. PLoS ONE, 12, 2017
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4Q9F
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![BU of 4q9f by Molmil](/molmil-images/mine/4q9f) | Crystal structure of type 1 ribosome inactivating protein from Momordica balsamina in complex with guanosine mono phosphate at 1.75 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, ... | Authors: | Kushwaha, G.S, Pandey, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2014-05-01 | Release date: | 2014-05-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of type 1 ribosome inactivating protein from Momordica balsamina in complex with guanosine mono phosphate at 1.75 Angstrom resolution To be Published
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6VA5
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![BU of 6va5 by Molmil](/molmil-images/mine/6va5) | Tudor Domain of Tumor suppressor p53BP1 with MFP-4184 | Descriptor: | 2-(4-methylpiperazin-1-yl)aniline, GLYCEROL, SULFATE ION, ... | Authors: | Zeng, H, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-12-16 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Tudor Domain of Tumor suppressor p53BP1 with MFP-4184 to be published
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5WV1
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![BU of 5wv1 by Molmil](/molmil-images/mine/5wv1) | Crystal structure of the complex of Ribosome inactivating protein from Momordica balsamina with ribose sugar at 1.90 A resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ribosome inactivating protein, ... | Authors: | Shokeen, A, Singh, P.K, Pandey, S, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2016-12-21 | Release date: | 2017-01-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the complex of Ribosome inactivating protein from Momordica balsamina with ribose sugar at
1.90 A resolution. To Be Published
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4ZU0
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![BU of 4zu0 by Molmil](/molmil-images/mine/4zu0) | Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a nucleotide, cytidine monophosphate at 1.80 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, ... | Authors: | Yamin, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2015-05-15 | Release date: | 2015-06-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate. Biochem Biophys Rep, 4, 2015
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4ZT8
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![BU of 4zt8 by Molmil](/molmil-images/mine/4zt8) | Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a pyrimidine base, cytosine at 1.98 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINOPYRIMIDIN-2(1H)-ONE, GLYCEROL, ... | Authors: | Yamini, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2015-05-14 | Release date: | 2015-06-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate. Biochem Biophys Rep, 4, 2015
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5CST
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![BU of 5cst by Molmil](/molmil-images/mine/5cst) | Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a nucleotide, cytidine diphosphate at 1.78 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYTIDINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Yamin, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2015-07-23 | Release date: | 2015-08-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate. Biochem Biophys Rep, 4, 2015
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5CSO
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![BU of 5cso by Molmil](/molmil-images/mine/5cso) | Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a nucleoside, cytidine at 1.78 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, GLYCEROL, ... | Authors: | Yamin, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2015-07-23 | Release date: | 2015-08-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate. Biochem Biophys Rep, 4, 2015
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4ZZ6
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![BU of 4zz6 by Molmil](/molmil-images/mine/4zz6) | Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a nucleotide, cytidine triphosphate at 2.0A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYTIDINE-5'-TRIPHOSPHATE, GLYCEROL, ... | Authors: | Yamin, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2015-05-22 | Release date: | 2015-06-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate. Biochem Biophys Rep, 4, 2015
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