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5KBA
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BU of 5kba by Molmil
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
5K7V
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BU of 5k7v by Molmil
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
5EIL
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BU of 5eil by Molmil
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
5JQZ
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BU of 5jqz by Molmil
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
6MFH
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BU of 6mfh by Molmil
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
5J0I
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BU of 5j0i by Molmil
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
5J0H
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BU of 5j0h by Molmil
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
5J0L
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BU of 5j0l by Molmil
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
5J0K
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BU of 5j0k by Molmil
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
5J10
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BU of 5j10 by Molmil
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
5J0J
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BU of 5j0j by Molmil
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
5J73
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BU of 5j73 by Molmil
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
5J2L
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BU of 5j2l by Molmil
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
5IZS
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BU of 5izs by Molmil
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
6V8E
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BU of 6v8e by Molmil
Computationally designed C3-symmetric homotrimer from TPR repeat protein
Descriptor: Designed protein
Authors:Sankaran, B, Ueda, G, Zwart, P.H, Baker, D.
Deposit date:2019-12-10
Release date:2020-08-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Tailored design of protein nanoparticle scaffolds for multivalent presentation of viral glycoprotein antigens.
Elife, 9, 2020
4WB4
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BU of 4wb4 by Molmil
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
5D4F
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BU of 5d4f by Molmil
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
4W82
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BU of 4w82 by Molmil
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
4WBA
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BU of 4wba by Molmil
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
4W9N
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BU of 4w9n by Molmil
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
7R6Z
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BU of 7r6z by Molmil
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
8CTF
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BU of 8ctf by Molmil
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
5JE7
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BU of 5je7 by Molmil
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
5JG5
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BU of 5jg5 by Molmil
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
5JGT
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BU of 5jgt by Molmil
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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