5KBA
 
 | Computational Design of Self-Assembling Cyclic Protein Homooligomers | Descriptor: | Designed protein ANK1C2 | Authors: | Sankaran, B, Zwart, P.H, Fallas, J.A, Pereira, J.H, Ueda, G, Baker, D. | Deposit date: | 2016-06-02 | Release date: | 2017-04-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Computational design of self-assembling cyclic protein homo-oligomers. Nat Chem, 9, 2017
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5K7V
 
 | Computational Design of Self-Assembling Cyclic Protein Homooligomers | Descriptor: | Designed protein HR00C3 | Authors: | Sankaran, B, Zwart, P.H, Fallas, J.A, Pereira, J.H, Ueda, G, Baker, D. | Deposit date: | 2016-05-26 | Release date: | 2017-04-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.165 Å) | Cite: | Computational design of self-assembling cyclic protein homo-oligomers. Nat Chem, 9, 2017
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5EIL
 
 | Computational design of a high-affinity metalloprotein homotrimer containing a metal chelating non-canonical amino acid | Descriptor: | FE (III) ION, TRI-05 | Authors: | Sankaran, B, Zwart, P.H, Mills, J.H, Pereira, J.H, Baker, D. | Deposit date: | 2015-10-30 | Release date: | 2016-11-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Computational design of a homotrimeric metalloprotein with a trisbipyridyl core. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5JQZ
 
 | Designed two-ring homotetramer at 3.8A resolution | Descriptor: | De novo designed homotetramer | Authors: | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Oberdorfer, G, Boyken, S.E, Chen, Z. | Deposit date: | 2016-05-05 | Release date: | 2016-06-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.83 Å) | Cite: | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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6MFH
 
 | Mutated Uronate Dehydrogenase | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Mutated Uronate Dehydrogenase, PHOSPHATE ION | Authors: | Sankaran, B, Pereira, J.H, Chan, V, Zwart, P.H, Wagschal, K. | Deposit date: | 2018-09-11 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Chromohalobacter salixigens uronate dehydrogenase: Directed evolution for improved thermal stability and mutant CsUDH-inc X-ray crystal structure Process Biochem, 2020
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5J0I
 
 | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | Descriptor: | Designed protein 2L6HC3_12 | Authors: | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | Deposit date: | 2016-03-28 | Release date: | 2016-05-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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5J0H
 
 | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | Descriptor: | Design construct 2L6HC3_13 | Authors: | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | Deposit date: | 2016-03-28 | Release date: | 2016-05-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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5J0L
 
 | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | Descriptor: | designed protein 3L6HC2_2 | Authors: | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | Deposit date: | 2016-03-28 | Release date: | 2016-07-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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5J0K
 
 | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | Descriptor: | designed protein 2L4HC2_23 | Authors: | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | Deposit date: | 2016-03-28 | Release date: | 2016-05-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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5J10
 
 | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | Descriptor: | peptide design 2L4HC2_24 | Authors: | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | Deposit date: | 2016-03-28 | Release date: | 2016-05-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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5J0J
 
 | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | Descriptor: | designed protein 2L6HC3_6 | Authors: | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | Deposit date: | 2016-03-28 | Release date: | 2016-05-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.256 Å) | Cite: | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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5J73
 
 | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | Descriptor: | protein design 2L4HC2_9 | Authors: | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | Deposit date: | 2016-04-05 | Release date: | 2016-05-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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5J2L
 
 | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | Descriptor: | protein design 2L4HC2_11 | Authors: | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G. | Deposit date: | 2016-03-29 | Release date: | 2016-05-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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5IZS
 
 | De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity | Descriptor: | Designed protein 5L6HC3_1 | Authors: | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Oberdorfer, G. | Deposit date: | 2016-03-25 | Release date: | 2016-05-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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6V8E
 
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4WB4
 
 | wt SA11 NSP4_CCD | Descriptor: | CALCIUM ION, Non-structural glycoprotein NSP4 | Authors: | Viskovska, M, Sastri, N.P, Hyser, J.M, Tanner, M.R, Horton, L.B, Sankaran, B, Prasad, B.V.V, Estes, M.K. | Deposit date: | 2014-09-02 | Release date: | 2014-09-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural Plasticity of the Coiled-Coil Domain of Rotavirus NSP4. J.Virol., 88, 2014
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5D4F
 
 | Crystal structure of C-As lyase with Fe(III) | Descriptor: | CHLORIDE ION, FE (III) ION, Glyoxalase/bleomycin resistance protein/dioxygenase, ... | Authors: | Venkadesh, S, Yoshinaga, M, Sankaran, B, Kandavelu, P, Rosen, B.P. | Deposit date: | 2015-08-07 | Release date: | 2016-09-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal structure of C-As lyase with mercaptoethonal To Be Published
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4W82
 
 | Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase | Descriptor: | CHLORIDE ION, Fatty acid synthase, MAGNESIUM ION, ... | Authors: | Sippel, K.H, Vyas, N.K, Sankaran, B, Quiocho, F.A. | Deposit date: | 2014-08-22 | Release date: | 2014-10-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the human Fatty Acid synthase enoyl-acyl carrier protein-reductase domain complexed with triclosan reveals allosteric protein-protein interface inhibition. J.Biol.Chem., 289, 2014
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4WBA
 
 | Q/E mutant SA11 NSP4_CCD | Descriptor: | GLYCEROL, Non-structural glycoprotein NSP4, PHOSPHATE ION | Authors: | Viskovska, M, Sastri, N.P, Hyser, J.M, Tanner, M.R, Horton, L.B, Sankaran, B, Prasad, B.V.V, Estes, M.K. | Deposit date: | 2014-09-02 | Release date: | 2014-09-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Structural Plasticity of the Coiled-Coil Domain of Rotavirus NSP4. J.Virol., 88, 2014
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4W9N
 
 | Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase complexed with triclosan | Descriptor: | CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase, IMIDAZOLE, ... | Authors: | Sippel, K.H, Vyas, N.K, Sankaran, B, Quiocho, F.A. | Deposit date: | 2014-08-27 | Release date: | 2014-10-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structure of the human Fatty Acid synthase enoyl-acyl carrier protein-reductase domain complexed with triclosan reveals allosteric protein-protein interface inhibition. J.Biol.Chem., 289, 2014
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7R6Z
 
 | OXA-48 bound by Compound 3.3 | Descriptor: | 1,2-ETHANEDIOL, 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid, Beta-lactamase, ... | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T. | Deposit date: | 2021-06-24 | Release date: | 2021-12-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
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8CTF
 
 | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, ACETATE ION, MANGANESE (II) ION, ... | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | Deposit date: | 2022-05-14 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors. Acs Med.Chem.Lett., 14, 2023
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5JE7
 
 | Human carbonic anhydrase II (F131Y) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-17 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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5JG5
 
 | Human carbonic anhydrase II (V121T/F131Y) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-19 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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5JGT
 
 | Human carbonic anhydrase II (F131Y/L198A) complexed with 1,3-thiazole-2-sulfonamide | Descriptor: | 1,3-thiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-20 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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