6TTM
 
 | | Hyoscyamine 6-hydroxylase in complex with N-oxalylglycine and hyoscyamine | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hyoscyamine 6 beta-hydroxylase, ... | | Authors: | Kluza, A, Kurpiewska, K, Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T. | | Deposit date: | 2019-12-29 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations.
Dalton Trans, 49, 2020
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6H6E
 | | PTC3 holotoxin complex from Photorhabdus luminecens in prepore state (TcdA1, TcdB2, TccC3) | | Descriptor: | TcdA1, TcdB2,TccC3 | | Authors: | Gatsogiannis, C, Merino, F, Roderer, D, Balchin, D, Schubert, E, Kuhlee, A, Hayer-Hartl, M, Raunser, S. | | Deposit date: | 2018-07-27 | | Release date: | 2018-10-03 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.95 Å) | | Cite: | Tc toxin activation requires unfolding and refolding of a beta-propeller.
Nature, 563, 2018
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4X5C
 | | Anthranilate phosphoribosyltransferase variant R193L from Mycobacterium tuberculosis with pyrophosphate/PRPP and Mg2+ bound | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, MAGNESIUM ION, ... | | Authors: | Cookson, T.V.M, Parker, E.J, Lott, J.S. | | Deposit date: | 2014-12-05 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structures of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Variants Reveal the Conformational Changes That Facilitate Delivery of the Substrate to the Active Site.
Biochemistry, 54, 2015
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6TTO
 | | N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with 2-oxoglutarate | | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FORMIC ACID, ... | | Authors: | Kluza, A, Mrugala, B, Porebski, P.J, Kurpiewska, K, Niedzialkowska, E, Weiss, M.S, Borowski, T. | | Deposit date: | 2019-12-29 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations.
Dalton Trans, 49, 2020
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5WIF
 | | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Yersinia pestis | | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, BORIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Shatsman, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-07-19 | | Release date: | 2017-08-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Yersinia pestis
To Be Published
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6TT0
 | | Crystal structure of a potent and reversible dual binding site Acetylcholinesterase chiral inhibitor | | Descriptor: | (1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | Authors: | de la Mora, E, Mangiatordi, G.F, Belviso, B.D, Caliandro, R, Colletier, J.P, Catto, M. | | Deposit date: | 2019-12-22 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.80003023 Å) | | Cite: | Chiral Separation, X-ray Structure, and Biological Evaluation of a Potent and Reversible Dual Binding Site AChE Inhibitor.
Acs Med.Chem.Lett., 11, 2020
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5WHN
 | | Crystal structure of the segment, NFGAFS, from the low complexity domain of TDP-43, residues 312-317 | | Descriptor: | Segment of TAR DNA-binding protein 43 | | Authors: | Guenther, E.L, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2017-07-17 | | Release date: | 2018-04-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation.
Nat. Struct. Mol. Biol., 25, 2018
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5WIR
 | | Structure of the TRF1-TERB1 interface | | Descriptor: | TERB1-TBM, Telomeric repeat-binding factor 1 | | Authors: | Nandakumar, J, Pendlebury, D.F, Smith, E.M, Tesmer, V.M. | | Deposit date: | 2017-07-20 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Dissecting the telomere-inner nuclear membrane interface formed in meiosis.
Nat. Struct. Mol. Biol., 24, 2017
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1YVT
 | | The high salt (phosphate) crystal structure of CO Hemoglobin E (Glu26Lys) at physiological pH (pH 7.35) | | Descriptor: | CARBON MONOXIDE, GLYCEROL, Hemoglobin alpha chain, ... | | Authors: | Malashkevich, V.N, Balazs, T.C, Almo, S.C, Hirsch, R.E. | | Deposit date: | 2005-02-16 | | Release date: | 2006-02-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The high salt (phosphate) crystal structure of CO Hemoglobin E (Glu26Lys) at physiological pH (pH 7.35)
To be Published
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7QFX
 | | Crystal structure of Old Yellow Enzyme AnOYE8 from Aspergillus niger | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, FLAVIN MONONUCLEOTIDE, NADH-dependent flavin oxidoreductase, ... | | Authors: | Robescu, M.S, Loprete, G, Vascon, F, Gasparotto, M, Filippini, F, Bergantino, E, Cendron, L. | | Deposit date: | 2021-12-06 | | Release date: | 2022-04-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Family Keeps on Growing: Four Novel Fungal OYEs Characterized.
Int J Mol Sci, 23, 2022
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6TR4
 | | Ruminococcus gnavus GH29 fucosidase E1_10125 D221A mutant in complex with fucose | | Descriptor: | CALCIUM ION, CHLORIDE ION, F5/8 type C domain-containing protein, ... | | Authors: | Owen, C.D, Wu, H, Crost, E, Colvile, A, Juge, N, Walsh, M.A. | | Deposit date: | 2019-12-17 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Fucosidases from the human gut symbiont Ruminococcus gnavus.
Cell.Mol.Life Sci., 78, 2021
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5WJ0
 | | Phosphotriesterase variant S5+254R | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ... | | Authors: | Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N. | | Deposit date: | 2017-07-21 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Phosphotriesterase variant S5+254R
To Be Published
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1GAD
 | | COMPARISON OF THE STRUCTURES OF WILD TYPE AND A N313T MUTANT OF ESCHERICHIA COLI GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASES: IMPLICATION FOR NAD BINDING AND COOPERATIVITY | | Descriptor: | D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Duee, E, Olivier-Deyris, L, Fanchon, E, Corbier, C, Branlant, G, Dideberg, O. | | Deposit date: | 1995-10-24 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Comparison of the structures of wild-type and a N313T mutant of Escherichia coli glyceraldehyde 3-phosphate dehydrogenases: implication for NAD binding and cooperativity.
J.Mol.Biol., 257, 1996
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6TR3
 | | Ruminococcus gnavus GH29 fucosidase E1_10125 in complex with fucose | | Descriptor: | CALCIUM ION, F5/8 type C domain-containing protein, MAGNESIUM ION, ... | | Authors: | Owen, C.D, Wu, H, Crost, E, Colvile, A, Juge, N, Walsh, M.A. | | Deposit date: | 2019-12-17 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Fucosidases from the human gut symbiont Ruminococcus gnavus.
Cell.Mol.Life Sci., 78, 2021
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4X2H
 | | Sac3N peptide bound to Mex67:Mtr2 | | Descriptor: | Putative mRNA export protein, Putative uncharacterized protein, SER-SER-VAL-PHE-GLY-ALA-PRO-ALA | | Authors: | Aibara, S, Valkov, E, Stewart, M. | | Deposit date: | 2014-11-26 | | Release date: | 2015-06-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Characterization of the Chaetomium thermophilum TREX-2 Complex and its Interaction with the mRNA Nuclear Export Factor Mex67:Mtr2.
Structure, 23, 2015
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5B6M
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6TTN
 | | N-terminally truncated hyoscyamine 6-hydroxylase (tH6H) in complex with N-oxalylglycine and hyoscyamine | | Descriptor: | 1,2-ETHANEDIOL, Hyoscyamine 6 beta-hydroxylase, N-OXALYLGLYCINE, ... | | Authors: | Kluza, A, Mrugala, B, Porebski, P.J, Kurpiewska, K, Niedzialkowska, E, Weiss, M.S, Borowski, T. | | Deposit date: | 2019-12-29 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations.
Dalton Trans, 49, 2020
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1YY4
 | | Crystal structure of estrogen receptor beta complexed with 1-chloro-6-(4-hydroxy-phenyl)-naphthalen-2-ol | | Descriptor: | 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1 | | Authors: | Mewshaw, R.E, Edsall Jr, R.J, Yang, C, Manas, E.S, Xu, Z.B, Henderson, R.A, Keith Jr, J.C, Harris, H.A. | | Deposit date: | 2005-02-23 | | Release date: | 2006-02-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity
J.Med.Chem., 48, 2005
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1TOG
 | | Hydrocinnamic acid-bound structure of SRHEPT + A293D mutant of E. coli aspartate aminotransferase | | Descriptor: | Aspartate aminotransferase, HYDROCINNAMIC ACID | | Authors: | Chow, M.A, McElroy, K.E, Corbett, K.D, Berger, J.M, Kirsch, J.F. | | Deposit date: | 2004-06-14 | | Release date: | 2004-10-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Narrowing substrate specificity in a directly evolved enzyme: the A293D mutant of aspartate aminotransferase
Biochemistry, 43, 2004
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1QPY
 | | CRYSTAL STRUCTURE OF BACKBONE MODIFIED PNA HEXAMER | | Descriptor: | PEPTIDE NUCLEIC ACID 5'-(*CP1*GPN*TP1*APN*CP1*GPN*LYS)-3' | | Authors: | Haima, G, Rasmussen, H, Schmidt, G, Jensen, D.K, Kastrup, J.S, Stafshede, P.W, Norden, B, Buchardt, O, Nielsen, P.E. | | Deposit date: | 1999-05-14 | | Release date: | 2001-02-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Peptide Nucleic Acids (PNA) derived from N-(N-methylaminoethyl)glycine. Synthesis, hybridization and structural properties
New J.Chem., 23, 1999
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3KD1
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5WS3
 | | Crystal structures of human orexin 2 receptor bound to the selective antagonist EMPA determined by serial femtosecond crystallography at SACLA | | Descriptor: | N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, OLEIC ACID, Orexin receptor type 2,GlgA glycogen synthase,Orexin receptor type 2, ... | | Authors: | Suno, R, Kimura, K, Nakane, T, Yamashita, K, Wang, J, Fujiwara, T, Yamanaka, Y, Im, D, Tsujimoto, H, Sasanuma, M, Horita, S, Hirokawa, T, Nango, E, Tono, K, Kameshima, T, Hatsui, T, Joti, Y, Yabashi, M, Shimamoto, K, Yamamoto, M, Rosenbaum, D.M, Iwata, S, Shimamura, T, Kobayashi, T. | | Deposit date: | 2016-12-05 | | Release date: | 2017-12-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of Human Orexin 2 Receptor Bound to the Subtype-Selective Antagonist EMPA.
Structure, 26, 2018
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7QVZ
 | | ARUK3001043_Notum | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Hillier, J, Willis, N.J, Mahy, W, Fish, P, Jones, E.Y. | | Deposit date: | 2022-01-24 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structure Activity Analysis of Notum Fragment Screen Hits with Development
To Be Published
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4X5D
 | | Anthranilate phosphoribosyltransferase variant R193A from Mycobacterium tuberculosis with anthranilate bound | | Descriptor: | 2-AMINOBENZOIC ACID, Anthranilate phosphoribosyltransferase, GLYCEROL, ... | | Authors: | Cookson, T.V.M, Parker, E.J, Lott, J.S. | | Deposit date: | 2014-12-05 | | Release date: | 2015-09-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Variants Reveal the Conformational Changes That Facilitate Delivery of the Substrate to the Active Site.
Biochemistry, 54, 2015
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2LPS
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