1CIW
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![BU of 1ciw by Molmil](/molmil-images/mine/1ciw) | PEANUT LECTIN COMPLEXED WITH N-ACETYLLACTOSAMINE | Descriptor: | CALCIUM ION, MANGANESE (II) ION, PROTEIN (PEANUT LECTIN), ... | Authors: | Ravishankar, R, Suguna, K, Surolia, A, Vijayan, M. | Deposit date: | 1999-04-06 | Release date: | 1999-07-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures of the complexes of peanut lectin with methyl-beta-galactose and N-acetyllactosamine and a comparative study of carbohydrate binding in Gal/GalNAc-specific legume lectins. Acta Crystallogr.,Sect.D, 55, 1999
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5JM1
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![BU of 5jm1 by Molmil](/molmil-images/mine/5jm1) | Structure of tetrameric jacalin complexed with a trisaccharide, Gal alpha-(1,3) Gal beta-(1,4) Gal | Descriptor: | 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ... | Authors: | Abhinav, K.V, Sharma, K, Surolia, A, Vijayan, M. | Deposit date: | 2016-04-28 | Release date: | 2016-12-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Effect of linkage on the location of reducing and nonreducing sugars bound to jacalin. IUBMB Life, 68, 2016
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5J4T
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![BU of 5j4t by Molmil](/molmil-images/mine/5j4t) | Structure of tetrameric jacalin complexed with GlcNAc beta-(1,3) Gal-beta-OMe | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-methyl beta-D-galactopyranoside, Agglutinin alpha chain, ... | Authors: | Abhinav, K.V, Sharma, K, Surolia, A, Vijayan, M. | Deposit date: | 2016-04-01 | Release date: | 2017-02-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Distortion of the ligand molecule as a strategy for modulating binding affinity: Further studies involving complexes of jacalin with beta-substituted disaccharides. IUBMB Life, 69, 2017
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5J4X
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![BU of 5j4x by Molmil](/molmil-images/mine/5j4x) | Structure of tetrameric jacalin complexed with Gal beta-(1,3) Gal-beta-OMe | Descriptor: | 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ... | Authors: | Abhinav, K.V, Sharma, K, Surolia, A, Vijayan, M. | Deposit date: | 2016-04-01 | Release date: | 2017-02-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Distortion of the ligand molecule as a strategy for modulating binding affinity: Further studies involving complexes of jacalin with beta-substituted disaccharides. IUBMB Life, 69, 2017
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5J51
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![BU of 5j51 by Molmil](/molmil-images/mine/5j51) | Structure of tetrameric jacalin complexed with Gal alpha-(1,4) Gal | Descriptor: | 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ... | Authors: | Abhinav, K.V, Sharma, K, Surolia, A, Vijayan, M. | Deposit date: | 2016-04-01 | Release date: | 2016-12-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Effect of linkage on the location of reducing and nonreducing sugars bound to jacalin. IUBMB Life, 68, 2016
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7NEV
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![BU of 7nev by Molmil](/molmil-images/mine/7nev) | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2021-02-05 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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5J50
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![BU of 5j50 by Molmil](/molmil-images/mine/5j50) | Structure of tetrameric jacalin complexed with Gal beta-(1,3) GalNAc-alpha-OPNP | Descriptor: | 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ... | Authors: | Abhinav, K.V, Sharma, K, Surolia, A, Vijayan, M. | Deposit date: | 2016-04-01 | Release date: | 2017-02-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of tetrameric jacalin complexed with Gal beta-(1,3) GalNAc-alpha-OPNP To Be Published
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7MRJ
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![BU of 7mrj by Molmil](/molmil-images/mine/7mrj) | Crystal structure of a novel ubiquitin-like TINCR | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Forouhar, F, Morgado-Palacin, L, Brown, J.A, Martinez, T, Pedrero, J.M.G, Reglero, C, Chaudhry, I, Vaughan, J, Rodriguez-Perales, S, Allonca, E, Granda-Diaz, R, Quinn, S.A, Fernandez, A.F, Fraga, M.F, Kim, A.L, Santos-Juanes, J, Owens, D.M, Rodrigo, J.P, Saghatelian, A, Ferrando, A.A. | Deposit date: | 2021-05-07 | Release date: | 2022-03-16 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | The TINCR ubiquitin-like microprotein is a tumor suppressor in squamous cell carcinoma. Nat Commun, 14, 2023
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7OBN
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![BU of 7obn by Molmil](/molmil-images/mine/7obn) | Structural investigations of a new L3 DNA ligase: structure-function analysis | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA (5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), DNA ligase, ... | Authors: | Leiros, H.-K.S, Williamson, A. | Deposit date: | 2021-04-23 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Bacteriophage origin of some minimal ATP-dependent DNA ligases: a new structure from Burkholderia pseudomallei with striking similarity to Chlorella virus ligase. Sci Rep, 11, 2021
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3AM5
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![BU of 3am5 by Molmil](/molmil-images/mine/3am5) | K316A mutant of Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan | Descriptor: | Enoyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | Authors: | Maity, K, Banerjee, T, Narayanappa, P, Surolia, N, Surolia, A, Suguna, K. | Deposit date: | 2010-08-14 | Release date: | 2011-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Effect of substrate binding loop mutations on the structure, kinetics, and inhibition of enoyl acyl carrier protein reductase from plasmodium falciparum Iubmb Life, 63, 2011
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3AM3
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![BU of 3am3 by Molmil](/molmil-images/mine/3am3) | A372M mutant of Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan | Descriptor: | Enoyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | Authors: | Maity, K, Banerjee, T, Narayanappa, P, Surolia, N, Surolia, A, Suguna, K. | Deposit date: | 2010-08-14 | Release date: | 2011-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Effect of substrate binding loop mutations on the structure, kinetics, and inhibition of enoyl acyl carrier protein reductase from plasmodium falciparum Iubmb Life, 63, 2011
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3AM4
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![BU of 3am4 by Molmil](/molmil-images/mine/3am4) | A372M mutant of Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant T1 | Descriptor: | 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde, Enoyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Maity, K, Banerjee, T, Narayanappa, P, Surolia, N, Surolia, A, Suguna, K. | Deposit date: | 2010-08-14 | Release date: | 2011-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Effect of substrate binding loop mutations on the structure, kinetics, and inhibition of enoyl acyl carrier protein reductase from plasmodium falciparum Iubmb Life, 63, 2011
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4WS6
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![BU of 4ws6 by Molmil](/molmil-images/mine/4ws6) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-aminouracil, Form I | Descriptor: | 1,2-ETHANEDIOL, 5-AMINO-1H-PYRIMIDINE-2,4-DIONE, CHLORIDE ION, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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4WS2
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![BU of 4ws2 by Molmil](/molmil-images/mine/4ws2) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 6-aminouracil, Form I | Descriptor: | 6-aminopyrimidine-2,4(3H,5H)-dione, CHLORIDE ION, CITRIC ACID, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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4WPL
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![BU of 4wpl by Molmil](/molmil-images/mine/4wpl) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with uracil, Form I | Descriptor: | ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-20 | Release date: | 2015-07-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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4WS4
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![BU of 4ws4 by Molmil](/molmil-images/mine/4ws4) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-nitrouracil, Form I | Descriptor: | 5-nitrouracil, CHLORIDE ION, CITRIC ACID, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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4WS0
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![BU of 4ws0 by Molmil](/molmil-images/mine/4ws0) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil (A), Form II | Descriptor: | 1,2-ETHANEDIOL, 5-FLUOROURACIL, CHLORIDE ION, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.974 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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4WS1
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![BU of 4ws1 by Molmil](/molmil-images/mine/4ws1) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil (AB), Form II | Descriptor: | 1,2-ETHANEDIOL, 5-FLUOROURACIL, CHLORIDE ION, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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3AZ8
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![BU of 3az8 by Molmil](/molmil-images/mine/3az8) | Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Plasmodium falciparum in complex with NAS21 | Descriptor: | 4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione, Beta-hydroxyacyl-ACP dehydratase, CHLORIDE ION, ... | Authors: | Maity, K, Venkata, B.S, Kapoor, N, Surolia, N, Surolia, A, Suguna, K. | Deposit date: | 2011-05-20 | Release date: | 2012-02-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for the functional and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Plasmodium falciparum J.Struct.Biol., 176, 2011
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8TE7
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![BU of 8te7 by Molmil](/molmil-images/mine/8te7) | Structure of TRNM-f.01 | Descriptor: | TRNM-f.01 Fab Heavy Chain, TRNM-f.01 Fab Light Chain | Authors: | Bender, M.F, Olia, A.S, Kwong, P.D. | Deposit date: | 2023-07-05 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Broad and Potent HIV-1 Neutralization in Fusion Peptide-primed SHIV-boosted Macaques To Be Published
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4WRV
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![BU of 4wrv by Molmil](/molmil-images/mine/4wrv) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with uracil, Form III | Descriptor: | CHLORIDE ION, URACIL, Uracil-DNA glycosylase | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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4WRZ
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![BU of 4wrz by Molmil](/molmil-images/mine/4wrz) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil (AB), Form I | Descriptor: | 5-FLUOROURACIL, CHLORIDE ION, CITRIC ACID, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.193 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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4WS7
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![BU of 4ws7 by Molmil](/molmil-images/mine/4ws7) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-chlorouracil, Form II | Descriptor: | 1,2-ETHANEDIOL, 5-chloropyrimidine-2,4(1H,3H)-dione, CHLORIDE ION, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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4WRX
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![BU of 4wrx by Molmil](/molmil-images/mine/4wrx) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase, Form V | Descriptor: | CHLORIDE ION, Uracil-DNA glycosylase | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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4WS3
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![BU of 4ws3 by Molmil](/molmil-images/mine/4ws3) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 6-aminouracil, Form IV | Descriptor: | 6-aminopyrimidine-2,4(3H,5H)-dione, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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