4U8C
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![BU of 4u8c by Molmil](/molmil-images/mine/4u8c) | Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1409 | Descriptor: | 2,2'-benzene-1,4-diylbis[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indole], DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Zhu, W, Oldfield, E. | Deposit date: | 2014-08-01 | Release date: | 2015-02-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting. J.Med.Chem., 58, 2015
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5KCC
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![BU of 5kcc by Molmil](/molmil-images/mine/5kcc) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Oxabicyclic Heptene Sulfonamide (OBHS-N) | Descriptor: | (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2016-06-06 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.386 Å) | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
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4TW3
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![BU of 4tw3 by Molmil](/molmil-images/mine/4tw3) | Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound | Descriptor: | 1,2-ETHANEDIOL, Aldehyde decarbonylase, FE (III) ION, ... | Authors: | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | Deposit date: | 2014-06-29 | Release date: | 2014-10-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound. Acs Chem.Biol., 9, 2014
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8V8C
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![BU of 8v8c by Molmil](/molmil-images/mine/8v8c) | Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and PNU-120596 asymmetric state 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-12-05 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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7TOO
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![BU of 7too by Molmil](/molmil-images/mine/7too) | Yeast 80S ribosome bound with the ALS/FTD-associated dipeptide repeat protein GR20 | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Loveland, A.B, Svidritskiy, E, Susorov, D, Lee, S, Park, A, Zvornicanin, S, Demo, G, Gao, F.B, Korostelev, A.A. | Deposit date: | 2022-01-24 | Release date: | 2022-05-25 | Last modified: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Ribosome inhibition by C9ORF72-ALS/FTD-associated poly-PR and poly-GR proteins revealed by cryo-EM. Nat Commun, 13, 2022
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5JQQ
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![BU of 5jqq by Molmil](/molmil-images/mine/5jqq) | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis - apo form | Descriptor: | GLYCEROL, Glucosyl-3-phosphoglycerate synthase | Authors: | Albesa-Jove, D, Urresti, S, Gest, P.M, van der Woerd, M, Jackson, M, Guerin, M.E. | Deposit date: | 2016-05-05 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis - apo form To Be Published
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8V88
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![BU of 8v88 by Molmil](/molmil-images/mine/8v88) | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and GAT107 | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-12-05 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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8V80
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![BU of 8v80 by Molmil](/molmil-images/mine/8v80) | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and (-)-TQS | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-12-04 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.34 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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4PEY
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![BU of 4pey by Molmil](/molmil-images/mine/4pey) | Structure of the E502A variant of sacteLam55A from Streptomyces sp. SirexAA-E in complex with laminaritriose | Descriptor: | Putative secreted protein, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | Authors: | Bianchetti, C.M, Takasuka, T.E, Yik, E.J, Bergeman, L.F, Fox, B.G. | Deposit date: | 2014-04-25 | Release date: | 2015-03-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Active site and laminarin binding in glycoside hydrolase family 55. J.Biol.Chem., 290, 2015
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1D6U
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![BU of 1d6u by Molmil](/molmil-images/mine/1d6u) | CRYSTAL STRUCTURE OF E. COLI AMINE OXIDASE ANAEROBICALLY REDUCED WITH BETA-PHENYLETHYLAMINE | Descriptor: | 2-PHENYLETHYLAMINE, CALCIUM ION, COPPER (II) ION, ... | Authors: | Wilmot, C.M, Hajdu, J, McPherson, M.J, Knowles, P.F, Phillips, S.E.V. | Deposit date: | 1999-10-15 | Release date: | 2000-02-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Visualization of dioxygen bound to copper during enzyme catalysis. Science, 286, 1999
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8V82
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![BU of 8v82 by Molmil](/molmil-images/mine/8v82) | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and PNU-120596 | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-12-04 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.61 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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8V8A
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![BU of 8v8a by Molmil](/molmil-images/mine/8v8a) | Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and PNU-120596 desensitized intermediate state | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-12-05 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.19 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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8V8D
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![BU of 8v8d by Molmil](/molmil-images/mine/8v8d) | Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and PNU-120596 asymmetric state 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-12-05 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.31 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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5UBI
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![BU of 5ubi by Molmil](/molmil-images/mine/5ubi) | Catalytic core domain of Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni with bound PRPP | Descriptor: | 1,2-ETHANEDIOL, 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ACETATE ION, ... | Authors: | Mittelstaedt, G, Jiao, W, Livingstone, E.K, Parker, E.J. | Deposit date: | 2016-12-20 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | A dimeric catalytic core relates the short and long forms of ATP-phosphoribosyltransferase. Biochem. J., 475, 2018
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8V89
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![BU of 8v89 by Molmil](/molmil-images/mine/8v89) | Alpha7-nicotinic acetylcholine receptor time resolved resting state | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-12-05 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.53 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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8V86
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![BU of 8v86 by Molmil](/molmil-images/mine/8v86) | Alpha7-nicotinic acetylcholine receptor bound to GAT107 | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-12-04 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.47 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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8UZJ
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![BU of 8uzj by Molmil](/molmil-images/mine/8uzj) | Alpha7-nicotinic acetylcholine receptor bound to epibatidine and ivermectin | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, ... | Authors: | Burke, S.M, Noviello, C.M, Hibbs, R.E. | Deposit date: | 2023-11-15 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation. Cell, 187, 2024
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4TWI
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![BU of 4twi by Molmil](/molmil-images/mine/4twi) | The structure of Sir2Af1 bound to a succinylated histone peptide | Descriptor: | GLYCEROL, NAD-dependent protein deacylase 1, Succinylated H4 Peptide (aa8-20), ... | Authors: | Ringel, A.E, Roman, C, Wolberger, C. | Deposit date: | 2014-06-30 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Alternate deacylating specificities of the archaeal sirtuins Sir2Af1 and Sir2Af2. Protein Sci., 23, 2014
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5K3A
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![BU of 5k3a by Molmil](/molmil-images/mine/5k3a) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate - Cocrystallized - Both Protomers Reacted with Ligand | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase | Authors: | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | Deposit date: | 2016-05-19 | Release date: | 2017-02-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.511 Å) | Cite: | The role of dimer asymmetry and protomer dynamics in enzyme catalysis. Science, 355, 2017
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3M4E
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![BU of 3m4e by Molmil](/molmil-images/mine/3m4e) | |
3MDW
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![BU of 3mdw by Molmil](/molmil-images/mine/3mdw) | The structure of N-formimino-L-Glutamate Iminohydrolase from Pseudomonas aeruginosa complexed with N-formimino-L-Aspartate | Descriptor: | GLYCEROL, N-[(E)-iminomethyl]-L-aspartic acid, N-formimino-L-Glutamate Iminohydrolase, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Marti-Arbona, R, Raushel, F.M, Almo, S.C. | Deposit date: | 2010-03-30 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8979 Å) | Cite: | Structure of N-Formimino-l-glutamate Iminohydrolase from Pseudomonas aeruginosa. Biochemistry, 54, 2015
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5UBH
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![BU of 5ubh by Molmil](/molmil-images/mine/5ubh) | Catalytic core domain of Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni with bound ATP | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ... | Authors: | Mittelstaedt, G, Jiao, W, Livingstone, E.K, Parker, E.J. | Deposit date: | 2016-12-20 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A dimeric catalytic core relates the short and long forms of ATP-phosphoribosyltransferase. Biochem. J., 475, 2018
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8RW3
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![BU of 8rw3 by Molmil](/molmil-images/mine/8rw3) | Crystal Structure of Agd31B, alpha-transglucosylase, complexed with a non-covalent 1,2- Cyclophellitol aziridine | Descriptor: | (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, 1,2-ETHANEDIOL, OXALATE ION, ... | Authors: | Moran, E, Davies, G, Ofamn, T, Heming, J, Nin-Hill, A, Kullmer, F, Steneker, R, Klein, A, Bennett, M, Ruijgrok, G, Kok, K, Aerts, J, Van der Marel, G, Rovira, C, Artola, M, Codee, J, Overkleeft, H. | Deposit date: | 2024-02-02 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition. Chemistry, 30, 2024
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1RDX
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![BU of 1rdx by Molmil](/molmil-images/mine/1rdx) | R-STATE STRUCTURE OF THE ARG 243 TO ALA MUTANT OF PIG KIDNEY FRUCTOSE 1,6-BISPHOSPHATASE EXPRESSED IN E. COLI | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, FRUCTOSE 1,6-BISPHOSPHATASE | Authors: | Stec, B, Abraham, R, Giroux, E, Kantrowitz, E.R. | Deposit date: | 1996-05-17 | Release date: | 1997-01-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structures of the active site mutant (Arg-243-->Ala) in the T and R allosteric states of pig kidney fructose-1,6-bisphosphatase expressed in Escherichia coli. Protein Sci., 5, 1996
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7TL3
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![BU of 7tl3 by Molmil](/molmil-images/mine/7tl3) | Crystal Structure of Yeast p58C Multi-Tyrosine Mutant 5YF431 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA primase large subunit, IRON/SULFUR CLUSTER | Authors: | Blee, A.M, Salay, L.E, Chazin, W.J. | Deposit date: | 2022-01-18 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.066 Å) | Cite: | Modification of the 4Fe-4S Cluster Charge Transport Pathway Alters RNA Synthesis by Yeast DNA Primase. Biochemistry, 61, 2022
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