6Z5D
 
 | | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004082 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one, DIMETHYL SULFOXIDE, ... | | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004082
To Be Published
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7N7A
 | | crystal structure of the dTDP-Qui3N N-formyltransferase from Helicobacter canadensis, apo form | | Descriptor: | 1,2-ETHANEDIOL, Formyl_trans_N domain-containing protein | | Authors: | Heisdorf, C.J, Thoden, J.B, Holden, H.M. | | Deposit date: | 2021-06-10 | | Release date: | 2021-06-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Investigation of the enzymes required for the biosynthesis of an unusual formylated sugar in the emerging human pathogen Helicobacter canadensis.
Protein Sci., 30, 2021
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6OJL
 | | Structure of YePL2A R194K in Complex with Pentagalacturonic Acid | | Descriptor: | 1,2-ETHANEDIOL, Periplasmic pectate lyase, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid | | Authors: | Jones, D.R, Abbott, D.W. | | Deposit date: | 2019-04-11 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A surrogate structural platform informed by ancestral reconstruction and resurrection of a putative carbohydrate binding module hybrid illuminates the neofunctionalization of a pectate lyase.
J.Struct.Biol., 207, 2019
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8HYE
 | | Structure of amino acid dehydrogenase-2752 with ligand | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alanine dehydrogenase, ... | | Authors: | Sakuraba, H, Ohshima, T. | | Deposit date: | 2023-01-06 | | Release date: | 2023-04-05 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Two different alanine dehydrogenases from Geobacillus kaustophilus: Their biochemical characteristics and differential expression in vegetative cells and spores.
Biochim Biophys Acta Proteins Proteom, 1871, 2023
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6Z5C
 | | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004070 | | Descriptor: | 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004070
To Be Published
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5CWG
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6Z74
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4YCC
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9Q7W
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8YTK
 | | Crystal structure of human prolyl-tRNA synthetase in complex with inhibitor | | Descriptor: | (2~{S})-~{N}-[3-(4-azanylquinazolin-7-yl)phenyl]sulfonylpyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Bifunctional glutamate/proline--tRNA ligase | | Authors: | Luo, Z, Zhou, H. | | Deposit date: | 2024-03-26 | | Release date: | 2025-04-02 | | Last modified: | 2025-09-17 | | Method: | X-RAY DIFFRACTION (2.553 Å) | | Cite: | Development of potent inhibitors targeting bacterial prolyl-tRNA synthetase through fluorine scanning-directed activity tuning.
Eur.J.Med.Chem., 291, 2025
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8B2H
 | | Muramidase from Thermothielavioides terrestris, catalytic domain | | Descriptor: | 1,2-ETHANEDIOL, SH3b domain-containing protein, ZINC ION | | Authors: | Moroz, O.V, Blagova, E, Lebedev, A.A, Skov, L.K, Pache, R.A, Schnorr, K.M, Kiemer, L, Nymand-Grarup, S, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Davies, G.J, Wilson, K.S. | | Deposit date: | 2022-09-13 | | Release date: | 2023-07-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Module walking using an SH3-like cell-wall-binding domain leads to a new GH184 family of muramidases.
Acta Crystallogr D Struct Biol, 79, 2023
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8U3J
 | | TRPV1 in nanodisc bound with empty vanilloid binding pocket at 4C | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, Transient receptor potential cation channel subfamily V member 1 | | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | | Deposit date: | 2023-09-07 | | Release date: | 2024-05-08 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 31, 2024
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7TZS
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6Y8L
 | | Mycobacterium thermoresistibile GyrB21 in complex with novobiocin | | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN, ... | | Authors: | Henderson, S.R, Stevenson, C.E.M, Malone, B, Zholnerovych, Y, Mitchenall, L.A, Pichowicz, M, McGarry, D.H, Cooper, I.R, Charrier, C, Salisbury, A, Lawson, D.M, Maxwell, A. | | Deposit date: | 2020-03-05 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase.
J.Antimicrob.Chemother., 75, 2020
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7NC9
 | | Glutathione-S-transferase GliG mutant H26N | | Descriptor: | 1,2-ETHANEDIOL, Glutathione S-transferase GliG | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2021-01-28 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6WEK
 | | Structure of cGMP-bound WT TAX-4 reconstituted in lipid nanodiscs | | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CYCLIC GUANOSINE MONOPHOSPHATE, ... | | Authors: | Zheng, X, Fu, Z, Su, D, Zhang, Y, Li, M, Pan, Y, Li, H, Li, S, Grassucci, R.A, Ren, Z, Hu, Z, Li, X, Zhou, M, Li, G, Frank, J, Yang, J. | | Deposit date: | 2020-04-02 | | Release date: | 2020-06-03 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel.
Nat.Struct.Mol.Biol., 27, 2020
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6YG1
 | | Crystal structure of MKK7 (MAP2K7) in an active state, allosterically triggered by the N-terminal helix | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 7, SODIUM ION | | Authors: | Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC), Scottish Structural Proteomics Facility (SSPF) | | Deposit date: | 2020-03-27 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
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8Z53
 | | Arabidopsis Dwarf14 (AtD14) co-crystallized in the presence of Zaxinone | | Descriptor: | (7E)-6-methyl-8-[(4S)-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octa-3,5,7-trien-2-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Arold, S.T, Shahul Hameed, U.F. | | Deposit date: | 2024-04-18 | | Release date: | 2025-04-23 | | Last modified: | 2025-11-12 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Arabidopsis response to the apocarotenoid zaxinone involves interference with strigolactone signaling via binding to DWARF14.
Nat Commun, 16, 2025
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5NON
 | | Structure of truncated Norcoclaurine Synthase from Thalictrum flavum with product mimic | | Descriptor: | 4-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]benzene-1,2-diol, S-norcoclaurine synthase | | Authors: | Sula, A, Lichman, B.R, Pesnot, T, Ward, J.M, Hailes, H.C, Keep, N.H. | | Deposit date: | 2017-04-12 | | Release date: | 2017-09-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Evidence for the Dopamine-First Mechanism of Norcoclaurine Synthase.
Biochemistry, 56, 2017
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6Y2M
 | | Streptavidin mutant S112R with a biotC4-1 cofactor - an artificial iron hydroxylase | | Descriptor: | Streptavidin, biotC4-1 cofactor | | Authors: | Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R. | | Deposit date: | 2020-02-17 | | Release date: | 2020-07-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Enantioselective Hydroxylation of Benzylic C(sp3)-H Bonds by an Artificial Iron Hydroxylase Based on the Biotin-Streptavidin Technology.
J.Am.Chem.Soc., 142, 2020
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4RB4
 | | Crystal structure of dodecameric iron-containing heptosyltransferase TibC in complex with ADP-D-beta-D-heptose at 3.9 angstrom resolution | | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, Glycosyltransferase tibC, ... | | Authors: | Yao, Q, Lu, Q, Shao, F. | | Deposit date: | 2014-09-12 | | Release date: | 2014-11-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.88 Å) | | Cite: | A structural mechanism for bacterial autotransporter glycosylation by a dodecameric heptosyltransferase family
Elife, 3, 2014
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5FXV
 | | Crystal structure of JmjC domain of human histone demethylase UTY in complex with N05859b | | Descriptor: | 1,2-ETHANEDIOL, 4-CARBOXYPIPERIDINE, HISTONE DEMETHYLASE UTY, ... | | Authors: | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Srikannathasan, V, Oerum, S, Pearce, N.M, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | Deposit date: | 2016-03-03 | | Release date: | 2016-03-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty in Complex with N05859B
To be Published
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8S95
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8S9N
 | | DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - C2 crystal form | | Descriptor: | 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN | | Authors: | Zhou, J, Horton, J.R, Cheng, X. | | Deposit date: | 2023-03-29 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
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5FXW
 | | Crystal structure of JmjC domain of human histone demethylase UTY in complex with fumarate | | Descriptor: | 1,2-ETHANEDIOL, FUMARIC ACID, HISTONE DEMETHYLASE UTY, ... | | Authors: | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | Deposit date: | 2016-03-03 | | Release date: | 2016-03-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal Structure of Jmjc Domain of Human Histone Demethylase Uty in Complex with Fumarate
To be Published
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