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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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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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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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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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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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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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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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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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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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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6V8E
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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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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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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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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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4S2L
 | | Crystal Structure of OXA-163 beta-lactamase | | Descriptor: | Beta-lactamase, SODIUM ION | | Authors: | Stojanoski, V, Liya, H, Palzkill, T.G, Prasad, B, Sankaran, B. | | Deposit date: | 2015-01-21 | | Release date: | 2015-07-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structural Basis for Different Substrate Profiles of Two Closely Related Class D beta-Lactamases and Their Inhibition by Halogens.
Biochemistry, 54, 2015
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4F83
 | | Crystal structure of the receptor binding domain of botulinum neurotoxin mosaic serotype C/D with a tetraethylene glycol molecule bound on the Hcn sub-domain and a sulfate ion at the putative active site | | Descriptor: | GLYCEROL, SULFATE ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Zhang, Y, Buchko, G.W, Gardberg, A, Edwards, T.E, Sankaran, B, Robinson, H, Varnum, S.M, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2012-05-16 | | Release date: | 2012-06-20 | | Last modified: | 2013-06-12 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural insights into the functional role of the Hcn sub-domain of the receptor-binding domain of the botulinum neurotoxin mosaic serotype C/D.
Biochimie, 95, 2013
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7V04
 | | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide | | Descriptor: | 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide, MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | | Deposit date: | 2022-05-09 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.91 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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5JD7
 | | PKG I's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with PET-cGMP | | Descriptor: | 3-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one, cGMP-dependent protein kinase 1 | | Authors: | Campbell, J.C, Sankaran, B, Kim, C.W. | | Deposit date: | 2016-04-15 | | Release date: | 2017-08-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.749 Å) | | Cite: | Structural Basis of Analog Specificity in PKG I and II.
ACS Chem. Biol., 12, 2017
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5JG3
 | | Human carbonic anhydrase II (121T/N67Q) 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 (1.21 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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5JGS
 | | Human carbonic anhydrase II (F131Y/L198A) 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: | 2016-04-20 | | Release date: | 2017-01-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.11 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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