8DDH
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8DDF
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![BU of 8ddf by Molmil](/molmil-images/mine/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
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![BU of 3hlb by Molmil](/molmil-images/mine/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
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![BU of 3gb9 by Molmil](/molmil-images/mine/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
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![BU of 4egg by Molmil](/molmil-images/mine/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
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![BU of 3ggs by Molmil](/molmil-images/mine/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
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![BU of 3cjb by Molmil](/molmil-images/mine/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
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![BU of 3q65 by Molmil](/molmil-images/mine/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
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![BU of 2gm8 by Molmil](/molmil-images/mine/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
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![BU of 3vcd by Molmil](/molmil-images/mine/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
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![BU of 4dcl by Molmil](/molmil-images/mine/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
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![BU of 3hlc by Molmil](/molmil-images/mine/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
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![BU of 3hld by Molmil](/molmil-images/mine/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
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![BU of 3hlg by Molmil](/molmil-images/mine/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
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![BU of 3hle by Molmil](/molmil-images/mine/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
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![BU of 3hlf by Molmil](/molmil-images/mine/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
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![BU of 3hl9 by Molmil](/molmil-images/mine/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
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![BU of 2q36 by Molmil](/molmil-images/mine/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
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![BU of 2q31 by Molmil](/molmil-images/mine/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
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![BU of 2gm7 by Molmil](/molmil-images/mine/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
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![BU of 1mq7 by Molmil](/molmil-images/mine/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
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![BU of 2b5o by Molmil](/molmil-images/mine/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
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![BU of 3ni3 by Molmil](/molmil-images/mine/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
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![BU of 2q1n by Molmil](/molmil-images/mine/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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