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6B50
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BU of 6b50 by Molmil
Schistosoma mansoni (Blood Fluke) Sulfotransferase/Oxamniquine Complex, T157S Mutant
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein, {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol
Authors:Taylor, A.B.
Deposit date:2017-09-27
Release date:2018-10-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum?
Int.J.Parasitol., 2020
4OQM
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BU of 4oqm by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with F-ARA-EdU
Descriptor: 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N, Scapozza, L.
Deposit date:2014-02-10
Release date:2014-08-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with F-ARA-EdU
To be Published
4OTA
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BU of 4ota by Molmil
4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, ORTHORHOMBIC CRYSTAL FORM
Descriptor: 4-OXALOCROTONATE TAUTOMERASE, SULFATE ION
Authors:Taylor, A.B, Whitman, C.P, Hackert, M.L.
Deposit date:1998-10-15
Release date:2001-08-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Native and inhibitor complex structures of 4-oxalocrotonate tautomerase from Pseudomonas putida mt-2 (University of Texas at Austin-136 pages)
Thesis, 1998
2O4E
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BU of 2o4e by Molmil
The solution structure of a protein-protein interaction module from a family 84 glycoside hydrolase of Clostridium perfringens
Descriptor: O-GlcNAcase nagJ
Authors:Chitayat, S, Adams, J.J, Gregg, K, Boraston, A.B, Smith, S.P.
Deposit date:2006-12-04
Release date:2007-11-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Three-dimensional structure of a putative non-cellulosomal cohesin module from a Clostridium perfringens family 84 glycoside hydrolase.
J.Mol.Biol., 375, 2008
6B54
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BU of 6b54 by Molmil
Schistosoma haematobium (Blood Fluke) Sulfotransferase/Oxamniquine Complex, S166T Mutant
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase, {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol
Authors:Taylor, A.B.
Deposit date:2017-09-27
Release date:2018-10-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum?
Int.J.Parasitol., 2020
6B4Z
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BU of 6b4z by Molmil
Schistosoma mansoni (Blood Fluke) Sulfotransferase, T157S Mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein
Authors:Taylor, A.B.
Deposit date:2017-09-27
Release date:2018-10-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum?
Int.J.Parasitol., 2020
3GZO
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BU of 3gzo by Molmil
HUMAN SOD1 G93A Variant
Descriptor: COPPER (II) ION, GLYCEROL, MALONATE ION, ...
Authors:Galaleldeen, A, Taylor, A.B, Narayana, N, Whitson, L.J, Hart, P.J.
Deposit date:2009-04-07
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and biophysical properties of metal-free pathogenic SOD1 mutants A4V and G93A.
Arch.Biochem.Biophys., 492, 2009
3H2Q
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BU of 3h2q by Molmil
Human SOD1 H80R variant, P21 crystal form
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Seetharaman, S.V, Winkler, D.D, Taylor, A.B, Cao, X, Whitson, L.J, Doucette, P.A, Valentine, J.S, Carroll, M.C, Culotta, V.C, Hart, P.J.
Deposit date:2009-04-14
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures of Pathogenic SOD1 Mutants H80R and D124V: Disrupted Zinc-binding and Compromised Post-translational Modification by the Copper Chaperone CCS
To be Published
2O7U
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BU of 2o7u by Molmil
Crystal structure of K206E/K296E mutant of the N-terminal half molecule of human transferrin
Descriptor: CARBONATE ION, FE (III) ION, Serotransferrin
Authors:Baker, H.M, Nurizzo, D, Mason, A.B, Baker, E.N.
Deposit date:2006-12-11
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of two mutants that probe the role in iron release of the dilysine pair in the N-lobe of human transferrin.
Acta Crystallogr.,Sect.D, 63, 2007
3GZP
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BU of 3gzp by Molmil
HUMAN SOD1 G93A Metal-free Variant
Descriptor: Superoxide dismutase [Cu-Zn]
Authors:Galaleldeen, A, Taylor, A.B, Whitson, L.J, Hart, P.J.
Deposit date:2009-04-07
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and biophysical properties of metal-free pathogenic SOD1 mutants A4V and G93A.
Arch.Biochem.Biophys., 492, 2009
2L29
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BU of 2l29 by Molmil
Complex structure of E4 mutant human IGF2R domain 11 bound to IGF-II
Descriptor: Insulin-like growth factor 2 receptor variant, Insulin-like growth factor II
Authors:Williams, C, Hoppe, H, Rezgui, D, Strickland, M, Frago, S, Ellis, R.Z, Wattana-Amorn, P, Prince, S.N, Zaccheo, O.J, Forbes, B, Jones, E.Y, Crump, M.P, Hassan, A.B.
Deposit date:2010-08-13
Release date:2012-02-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:An exon splice enhancer primes IGF2:IGF2R binding site structure and function evolution.
Science, 338, 2012
2LS6
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BU of 2ls6 by Molmil
Solution NMR Structure of a Non-canonical galactose-binding CBM32 from Clostridium perfringens
Descriptor: Hyaluronoglucosaminidase
Authors:Grondin, J.M, Chitayat, S, Ficko-Blean, E, Boraston, A.B, Smith, S.P.
Deposit date:2012-04-20
Release date:2013-05-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:An unusual mode of galactose recognition by a family 32 carbohydrate-binding module.
J.Mol.Biol., 426, 2014
3GTT
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BU of 3gtt by Molmil
Mouse SOD1
Descriptor: Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Seetharaman, S.V, Taylor, A.B, Hart, P.J.
Deposit date:2009-03-28
Release date:2010-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of mouse SOD1 and human/mouse SOD1 chimeras.
Arch.Biochem.Biophys., 503, 2010
4OTB
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BU of 4otb by Molmil
4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, RHOMBOHEDRAL CRYSTAL FORM
Descriptor: 4-OXALOCROTONATE TAUTOMERASE
Authors:Taylor, A.B, Whitman, C.P, Hackert, M.L.
Deposit date:1998-10-15
Release date:2001-08-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Native and inhibitor complex structures of 4-oxalocrotonate tautomerase from Pseudomonas putida mt-2 (University of Texas at Austin-136 pages)
Thesis, 1998
6BU8
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BU of 6bu8 by Molmil
70S ribosome with S1 domains 1 and 2 (Class 1)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S1, ...
Authors:Loveland, A.B, Korostelev, A.A.
Deposit date:2017-12-08
Release date:2018-01-31
Last modified:2020-01-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural dynamics of protein S1 on the 70S ribosome visualized by ensemble cryo-EM.
Methods, 137, 2018
2LLV
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BU of 2llv by Molmil
Solution structure of the yeast Sti1 DP1 domain
Descriptor: Heat shock protein STI1
Authors:Schmid, A.B, Lagleder, S, Graewert, M.A, Roehl, A, Hagn, F, Wandinger, S.K, Cox, M.B, Demmer, O, Richter, K, Groll, M, Kessler, H, Buchner, J.
Deposit date:2011-11-17
Release date:2012-01-25
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The architecture of functional modules in the Hsp90 co-chaperone Sti1/Hop.
Embo J., 31, 2012
2LLW
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BU of 2llw by Molmil
Solution structure of the yeast Sti1 DP2 domain
Descriptor: Heat shock protein STI1
Authors:Schmid, A.B, Lagleder, S, Graewert, M.A, Roehl, A, Hagn, F, Wandinger, S.K, Cox, M.B, Demmer, O, Richter, K, Groll, M, Kessler, H, Buchner, J.
Deposit date:2011-11-17
Release date:2012-01-25
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The architecture of functional modules in the Hsp90 co-chaperone Sti1/Hop.
Embo J., 31, 2012
2L2A
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BU of 2l2a by Molmil
Mutated Domain 11 of the Cytoplasmic region of the Cation-independent mannose-6-phosphate receptor
Descriptor: Insulin-like growth factor 2 receptor variant
Authors:Williams, C, Hoppe, H, Rezgui, D, Strickland, M, Frago, S, Ellis, R.Z, Wattana-Amorn, P, Prince, S.N, Zaccheo, O.J, Forbes, B, Jones, E.Y, Crump, M.P, Hassan, A.B.
Deposit date:2010-08-13
Release date:2012-02-15
Last modified:2012-12-12
Method:SOLUTION NMR
Cite:An exon splice enhancer primes IGF2:IGF2R binding site structure and function evolution.
Science, 338, 2012
2LM3
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BU of 2lm3 by Molmil
Structure of the rhesus monkey TRIM5alpha PRYSPRY domain
Descriptor: Tripartite motif-containing protein 5
Authors:Biris, N, Yang, Y, Taylor, A.B, Tomashevski, A, Guo, M, Hart, P.J, Diaz-Griffero, F, Ivanov, D.N.
Deposit date:2011-11-21
Release date:2012-08-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of the rhesus monkey TRIM5alpha PRYSPRY domain, the HIV capsid recognition module.
Proc.Natl.Acad.Sci.USA, 109, 2012
1MFF
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BU of 1mff by Molmil
MACROPHAGE MIGRATION INHIBITORY FACTOR Y95F MUTANT
Descriptor: MACROPHAGE MIGRATION INHIBITORY FACTOR
Authors:Taylor, A.B, Stamps, S.L, Wang, S.C, Hackert, M.L, Whitman, C.P.
Deposit date:1998-10-19
Release date:1999-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of the phenylpyruvate tautomerase activity of macrophage migration inhibitory factor: properties of the P1G, P1A, Y95F, and N97A mutants.
Biochemistry, 39, 2000
2YME
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BU of 2yme by Molmil
Crystal structure of a mutant binding protein (5HTBP-AChBP) in complex with granisetron
Descriptor: 1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, ...
Authors:Kesters, D, Thompson, A.J, Brams, M, Elk, R.v, Spurny, R, Geitmann, M, Villalgordo, J.M, Guskov, A, Danielson, U.H, Lummis, S.C.R, Smit, A.B, Ulens, C.
Deposit date:2012-10-09
Release date:2012-12-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of Ligand Recognition in 5-Ht3 Receptors.
Embo Rep., 14, 2013
1MFI
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BU of 1mfi by Molmil
CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR COMPLEXED WITH (E)-2-FLUORO-P-HYDROXYCINNAMATE
Descriptor: 2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE, PROTEIN (MACROPHAGE MIGRATION INHIBITORY FACTOR)
Authors:Taylor, A.B, Johnson Jr, W.H, Czerwinski, R.M, Whitman, C.P, Hackert, M.L.
Deposit date:1998-08-12
Release date:1999-06-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of macrophage migration inhibitory factor complexed with (E)-2-fluoro-p-hydroxycinnamate at 1.8 A resolution: implications for enzymatic catalysis and inhibition.
Biochemistry, 38, 1999
2Y7Y
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BU of 2y7y by Molmil
APLYSIA CALIFORNICA ACHBP IN APO STATE
Descriptor: SOLUBLE ACETYLCHOLINE RECEPTOR
Authors:Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, De Esch, I.J.
Deposit date:2011-02-02
Release date:2011-03-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X-Ray Analysis.
J.Med.Chem., 52, 2009
2YB8
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BU of 2yb8 by Molmil
Crystal structure of Nurf55 in complex with Su(z)12
Descriptor: POLYCOMB PROTEIN SU(Z)12, PROBABLE HISTONE-BINDING PROTEIN CAF1, SULFATE ION
Authors:Schmitges, F.W, Prusty, A.B, Faty, M, Stutzer, A, Lingaraju, G.M, Aiwazian, J, Sack, R, Hess, D, Li, L, Zhou, S, Bunker, R.D, Wirth, U, Bouwmeester, T, Bauer, A, Ly-Hartig, N, Zhao, K, Chan, H, Gu, J, Gut, H, Fischle, W, Muller, J, Thoma, N.H.
Deposit date:2011-03-02
Release date:2011-05-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Histone Methylation by Prc2 is Inhibited by Active Chromatin Marks.
Mol.Cell, 42, 2011
2YGM
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BU of 2ygm by Molmil
THE X-RAY CRYSTAL STRUCTURE OF TANDEM CBM51 MODULES OF SP3GH98, THE FAMILY 98 GLYCOSIDE HYDROLASE FROM STREPTOCOCCUS PNEUMONIAE SP3-BS71, IN COMPLEX WITH THE BLOOD GROUP B ANTIGEN
Descriptor: BLOOD GROUP A-AND B-CLEAVING ENDO-BETA-GALACTOSIDASE, CALCIUM ION, SODIUM ION, ...
Authors:Higgins, M.A, Ficko-Blean, E, Wright, C, Meloncelli, P.J, Lowary, T.L, Boraston, A.B.
Deposit date:2011-04-19
Release date:2011-06-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Overall Architecture and Receptor Binding of Pneumococcal Carbohydrate Antigen Hydrolyzing Enzymes.
J.Mol.Biol., 411, 2011

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