8DDH
 
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8DDF
 | | Quasi-racemic mixture of L-FWF and D-FYF peptide reveals rippled beta-sheet | | Descriptor: | 1,1,1,3,3,3-hexafluoropropan-2-ol, DPN-DTY-DPN, PHE-TRP-PHE | | Authors: | Sawaya, M.R, Hazari, A, Eisenberg, D.E. | | Deposit date: | 2022-06-18 | | Release date: | 2022-09-28 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The rippled beta-sheet layer configuration-a novel supramolecular architecture based on predictions by Pauling and Corey.
Chem Sci, 13, 2022
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3HLB
 | | Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded, selenomethionyl derivative | | Descriptor: | SULFATE ION, Transesterase | | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | | Deposit date: | 2009-05-27 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
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3GB9
 | | Human purine nucleoside phosphorylase double mutant E201Q,N243D complexed with 2-fluoroadenine | | Descriptor: | 2-fluoroadenine, GLYCEROL, Purine nucleoside phosphorylase, ... | | Authors: | Sawaya, M.R, Afshar, S. | | Deposit date: | 2009-02-19 | | Release date: | 2009-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of a mutant human purine nucleoside phosphorylase with the prodrug, 2-fluoro-2'-deoxyadenosine and the cytotoxic drug, 2-fluoroadenine.
Protein Sci., 18, 2009
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4EGG
 | | Computationally Designed Self-assembling tetrahedron protein, T310 | | Descriptor: | GLYCEROL, Putative acetyltransferase SACOL2570 | | Authors: | Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O. | | Deposit date: | 2012-03-30 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Computational design of self-assembling protein nanomaterials with atomic level accuracy.
Science, 336, 2012
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3Q67
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3GGS
 | | Human purine nucleoside phosphorylase double mutant E201Q,N243D complexed with 2-fluoro-2'-deoxyadenosine | | Descriptor: | 5-(6-AMINO-2-FLUORO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL, Purine nucleoside phosphorylase, SULFATE ION | | Authors: | Sawaya, M.R, Afshar, S. | | Deposit date: | 2009-03-02 | | Release date: | 2009-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Structure of a mutant human purine nucleoside phosphorylase with the prodrug, 2-fluoro-2'-deoxyadenosine and the cytotoxic drug, 2-fluoroadenine.
Protein Sci., 18, 2009
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3CJB
 | | Actin dimer cross-linked by V. cholerae MARTX toxin and complexed with Gelsolin-segment 1 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Sawaya, M.R, Kudryashov, D.S, Pashkov, I, Reisler, E, Yeates, T.O. | | Deposit date: | 2008-03-12 | | Release date: | 2008-03-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Connecting actin monomers by iso-peptide bond is a toxicity mechanism of the Vibrio cholerae MARTX toxin.
Proc.Natl.Acad.Sci.USA, 105, 2008
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3Q65
 | | Human Aldose Reductase in Complex with NADP+ in Space Group P212121 | | Descriptor: | Aldose reductase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Sawaya, M.R, Cascio, D, Balendiran, G.K. | | Deposit date: | 2010-12-30 | | Release date: | 2011-01-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | The role of Cys-298 in aldose reductase function.
J.Biol.Chem., 286, 2011
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2GM8
 | | TenA Homolog/Thi-4 Thiaminase complexed with product 4-amino-5-hydroxymethyl-2-methylpyrimidine | | Descriptor: | 1,2-ETHANEDIOL, 4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE, tenA homolog/Thi-4 Thiaminase | | Authors: | Sawaya, M.R, Chan, S, Han, G.W, Perry, L.J, Pashkov, I. | | Deposit date: | 2006-04-06 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of a TenA Homolog/Thi-4 Thiaminase from Pyrobaculum Aerophilum
To be Published
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3VCD
 | | Computationally Designed Self-assembling Octahedral Cage protein, O333, Crystallized in space group R32 | | Descriptor: | CHLORIDE ION, Propanediol utilization polyhedral body protein PduT, SULFATE ION | | Authors: | Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O. | | Deposit date: | 2012-01-03 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Computational design of self-assembling protein nanomaterials with atomic level accuracy.
Science, 336, 2012
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4DCL
 | | Computationally Designed Self-assembling tetrahedron protein, T308, Crystallized in space group F23 | | Descriptor: | Putative acetyltransferase SACOL2570 | | Authors: | Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O. | | Deposit date: | 2012-01-17 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Computational design of self-assembling protein nanomaterials with atomic level accuracy.
Science, 336, 2012
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3HLC
 | | Simvastatin Synthase (LovD) from Aspergillus terreus, S5 mutant, unliganded | | Descriptor: | GLYCEROL, TETRAETHYLENE GLYCOL, Transesterase | | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | | Deposit date: | 2009-05-27 | | Release date: | 2009-10-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
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3HLD
 | | Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant complex with monacolin J acid | | Descriptor: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid, FORMIC ACID, Transesterase | | Authors: | Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y. | | Deposit date: | 2009-05-27 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
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3HLG
 | | Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with lovastatin | | Descriptor: | (3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL)-3,5-DIHYDROXYHEPTANOIC ACID, Transesterase | | Authors: | Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y. | | Deposit date: | 2009-05-27 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
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3HLE
 | | Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with monacolin J acid | | Descriptor: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Transesterase | | Authors: | Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y. | | Deposit date: | 2009-05-27 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
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3HLF
 | | Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant, S76A mutant, complex with simvastatin | | Descriptor: | Simvastatin acid, Transesterase | | Authors: | Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y. | | Deposit date: | 2009-05-27 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
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3HL9
 | | Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded | | Descriptor: | Transesterase | | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | | Deposit date: | 2009-05-27 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
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2Q36
 | | Actin Dimer Cross-linked between Residues 191 and 374 and complexed with Kabiramide C | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Sawaya, M.R, Pashkov, I, Kudryashov, D.S, Reisler, E, Yeates, T.O. | | Deposit date: | 2007-05-29 | | Release date: | 2007-06-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Multiple crystal structures of actin dimers and their implications for interactions in the actin filament.
Acta Crystallogr.,Sect.D, 64, 2008
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2Q31
 | | Actin Dimer Cross-linked Between Residues 41 and 374 and proteolytically cleaved by subtilisin between residues 47 and 48. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Sawaya, M.R, Pashkov, I, Kudryashov, D.S, Reisler, E, Yeates, T.O. | | Deposit date: | 2007-05-29 | | Release date: | 2007-06-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Multiple crystal structures of actin dimers and their implications for interactions in the actin filament.
Acta Crystallogr.,Sect.D, 64, 2008
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2GM7
 | | TenA Homolog/Thi-4 Thiaminase from Pyrobaculum Aerophilum | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Sawaya, M.R, Chan, S, Han, G.W, Perry, L.J. | | Deposit date: | 2006-04-06 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of a Ten A Homolog/Thi-4 Thiaminase from Pyrobaculum Aerophilum
To be Published
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1MQ7
 | | CRYSTAL STRUCTURE OF DUTPASE FROM MYCOBACTERIUM TUBERCULOSIS (RV2697C) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE | | Authors: | Sawaya, M.R, Chan, S, Segelke, B.W, Lekin, T, Heike, K, Cho, U.S, Naranjo, C, Perry, L.J, Yeates, T.O, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2002-09-13 | | Release date: | 2002-10-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of the Mycobacterium tuberculosis dUTPase: insights into the catalytic mechanism.
J.Mol.Biol., 341, 2004
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2B5O
 | | ferredoxin-NADP reductase | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, SULFATE ION | | Authors: | Sawaya, M.R, Kerfeld, C.A, Gomez-Lojero, C, Krogmann, D, Bryant, D.A, Yeates, T.O. | | Deposit date: | 2005-09-29 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.499 Å) | | Cite: | Crystal Structure of Ferredoxin-NADP reductase from Synechococcus sp. (PCC 7002)
To be Published
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3NI3
 | | 54-Membered ring macrocyclic beta-sheet peptide | | Descriptor: | 54-membered ring macrocyclic beta-sheet peptide, ISOPROPYL ALCOHOL | | Authors: | Sawaya, M.R, Eisenberg, D, Nowick, J.S, Korman, T.P, Khakshoor, O. | | Deposit date: | 2010-06-15 | | Release date: | 2010-09-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | X-ray crystallographic structure of an artificial beta-sheet dimer.
J.Am.Chem.Soc., 132, 2010
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2Q1N
 | | Actin Dimer Cross-linked Between Residues 41 and 374 | | Descriptor: | Actin, alpha skeletal muscle, CALCIUM ION, ... | | Authors: | Sawaya, M.R, Pashkov, I, Kudryashov, D.S, Adisetiyo, H, Reisler, E, Yeates, T.O. | | Deposit date: | 2007-05-25 | | Release date: | 2007-06-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Multiple crystal structures of actin dimers and their implications for interactions in the actin filament.
Acta Crystallogr.,Sect.D, 64, 2008
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