6WOB
 
 | | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 4-diphosphoinositol pentakisphosphate (4-IP7), Mg, and Fluoride ion | | Descriptor: | (1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | | Authors: | Zong, G.N, Wang, H.C, Shears, B.S. | | Deposit date: | 2020-04-24 | | Release date: | 2021-03-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | New structural insights reveal an expanded reaction cycle for inositol pyrophosphate hydrolysis by human DIPP1.
Faseb J., 35, 2021
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6WDU
 | | The external aldimine form of the Salmonella thypi wild-type tryptophan synthase in open conformation showing multiple side chain conformations for the residue beta Q114 and sodium ion at the metal coordination site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring. | | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Hilario, E, Fan, L, Dunn, M.F, Mueller, L.J. | | Deposit date: | 2020-04-01 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The external aldimine form of the Salmonella thypi wild-type tryptophan synthase in open conformation showing multiple side chain conformations for the residue beta Q114 and sodium ion at the metal coordination site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
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6WE2
 | | Human PARP14 (ARTD8), catalytic fragment in complex with RBN012759 | | Descriptor: | 1,2-ETHANEDIOL, 7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one, Isoform 1 of Protein mono-ADP-ribosyltransferase PARP14 | | Authors: | Swinger, K.K, Schenkel, L.B, Kuntz, K.W. | | Deposit date: | 2020-04-01 | | Release date: | 2021-03-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | A potent and selective PARP14 inhibitor decreases protumor macrophage gene expression and elicits inflammatory responses in tumor explants.
Cell Chem Biol, 28, 2021
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8P2B
 | | Crystal structure of CbFMN4 domain 1 | | Descriptor: | Clostridiaceae bacterium FMN4 domain 1, FLAVIN MONONUCLEOTIDE | | Authors: | Rozeboom, H.J, Fraaije, M.W. | | Deposit date: | 2023-05-15 | | Release date: | 2023-07-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Characterization of two bacterial multi-flavinylated proteins harboring multiple covalent flavin cofactors.
Bba Adv, 4, 2023
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8ONQ
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4RXM
 | | Crystal structure of periplasmic ABC transporter solute binding protein A7JW62 from Mannheimia haemolytica PHL213, Target EFI-511105, in complex with Myo-inositol | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, ASPARTIC ACID, CHLORIDE ION, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-12-11 | | Release date: | 2014-12-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of solute binding sugar transporter A7JW62 from Mannheimia haemolytica, Target EFI-511105.
To be Published
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8Z9A
 | | Cryo-EM structure of the insect olfactory receptor OR5-Orco heterocomplex from Acyrthosiphon pisum bound with geranyl acetate | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Odorant receptor, ApisOR5, ... | | Authors: | Wang, Y.D, Qiu, L, Guan, Z.Y, Wang, Q, Wang, G.R, Yin, P. | | Deposit date: | 2024-04-23 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for odorant recognition of the insect odorant receptor OR-Orco heterocomplex.
Science, 384, 2024
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8HY7
 | | EGFR kinase domain mutant "TMLR" with compound 28f | | Descriptor: | Epidermal growth factor receptor, ~{N}-[3-[[6-fluoranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide | | Authors: | Wang, Y.X, Wu, C.Y. | | Deposit date: | 2023-01-06 | | Release date: | 2023-08-23 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | The crystal structure of EGFR kinase domain(T790M/L858R) in complex with compound 28f
To Be Published
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8ZBO
 | | Crystal structure of the biphotochromic fluorescent protein moxSAASoti (F97M variant) in its green on-state | | Descriptor: | 1,2-ETHANEDIOL, F97M variant of the biphotochromic fluorescent protein moxSAASoti, NITRATE ION, ... | | Authors: | Boyko, K.M, Matyuta, I.O, Marynich, N.K, Minyaev, M.E, Khadiyatova, A.A, Popov, V.O, Savitsky, A.P. | | Deposit date: | 2024-04-26 | | Release date: | 2024-06-12 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Single-point substitution F97M leads to in cellulo crystallization of the biphotochromic protein moxSAASoti.
Biochem.Biophys.Res.Commun., 732, 2024
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7B5G
 | | Crystal structure of E.coli LexA in complex with nanobody NbSOS3(Nb14527) | | Descriptor: | 1,2-ETHANEDIOL, LexA repressor, Nanobody Nb14527, ... | | Authors: | Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L. | | Deposit date: | 2020-12-03 | | Release date: | 2022-09-14 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway.
Structure, 30, 2022
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8D30
 | | Crystal structure of the human COPB2 WD-domains | | Descriptor: | 1,2-ETHANEDIOL, Coatomer subunit beta' | | Authors: | Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-05-31 | | Release date: | 2022-11-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the human COPB2 WD-domains
To Be Published
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7QS1
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7QRX
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7QT6
 | | Room temperature In-situ SARS-CoV-2 MPRO with bound Z1367324110 | | Descriptor: | 1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | Authors: | Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A. | | Deposit date: | 2022-01-14 | | Release date: | 2022-05-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
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7BUG
 | | Reduced oxygenase of carbazole 1,9a-dioxygenase | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-METHOXYETHANOL, CARBONATE ION, ... | | Authors: | Matsuzawa, J, Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | | Deposit date: | 2020-04-06 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Reduced oxygenase of carbazole 1,9a-dioxygenase
To Be Published
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8YK7
 | | Structure of Rib domain from surface adhesin of Limosilactobacillus reuteri | | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, SODIUM ION, ... | | Authors: | Xue, Y, Kang, X. | | Deposit date: | 2024-03-04 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal structure of the Rib domain of the cell-wall-anchored surface protein from Limosilactobacillus reuteri.
Acta Crystallogr.,Sect.F, 80, 2024
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8JRD
 | | Chalcone synthase from Glycine max (L.) Merr (soybean) complexed with naringenin and coenzyme A | | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Waki, T, Imaizumi, R, Nakata, S, Yanai, T, Takeshita, K, Sakai, N, Kataoka, K, Yamamoto, M, Nakayama, T, Yamashita, S. | | Deposit date: | 2023-06-16 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structural insights into catalytic promiscuity of chalcone synthase from Glycine max (L.) Merr.: Coenzyme A-induced alteration of product specificity.
Biochem.Biophys.Res.Commun., 718, 2024
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8KFU
 | | Crystal structure of ZmMOC1 in complex with a nicked Holliday junction soaked in Mn2+ for 180 seconds | | Descriptor: | 1,2-ETHANEDIOL, DNA (25-MER), DNA (33-MER), ... | | Authors: | Zhang, D, Luo, Z, Lin, Z. | | Deposit date: | 2023-08-16 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | MOC1 cleaves Holliday junctions through a cooperative nick and counter-nick mechanism mediated by metal ions.
Nat Commun, 15, 2024
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8KFW
 | | Crystal structure of ZmMOC1 K229A in complex with a nicked Holliday junction soaked in Mn2+ for 600 seconds | | Descriptor: | 1,2-ETHANEDIOL, DNA (26-MER), DNA (33-MER), ... | | Authors: | Zhang, D, Luo, Z, Lin, Z. | | Deposit date: | 2023-08-16 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | MOC1 cleaves Holliday junctions through a cooperative nick and counter-nick mechanism mediated by metal ions.
Nat Commun, 15, 2024
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8SZP
 | | Human DHX9 bound to ADP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase A, ... | | Authors: | Lee, Y.-T, Sickmier, E.A, Grigoriu, S, Boriack-Sjodin, P.A. | | Deposit date: | 2023-05-30 | | Release date: | 2023-08-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Crystal structures of the DExH-box RNA helicase DHX9.
Acta Crystallogr D Struct Biol, 79, 2023
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8Y2R
 | | NMR Solution Structure of the 2:1 Coptisine-ATF4-G4 Complex | | Descriptor: | 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium, DNA (5'-D(*TP*AP*AP*GP*GP*GP*AP*GP*GP*GP*AP*GP*GP*GP*AP*AP*GP*GP*GP*AP*GP*C*(LIG)*(LIG))-3') | | Authors: | Xiao, C.M, Li, Y.P, Liu, Y.S, Dong, R.F, He, X.Y, Lin, Q, Zang, X, Wang, K.B, Xia, Y.Z, Kong, L.Y. | | Deposit date: | 2024-01-27 | | Release date: | 2024-12-04 | | Last modified: | 2025-06-18 | | Method: | SOLUTION NMR | | Cite: | Overcoming Cancer Persister Cells by Stabilizing the ATF4 Promoter G-quadruplex.
Adv Sci, 11, 2024
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8Q29
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5NML
 | | Nb36 Ser85Cys with Hg bound | | Descriptor: | 1,2-ETHANEDIOL, MERCURY (II) ION, Nanobody Nb36 Ser85Cys | | Authors: | Hansen, S.B, Andersen, K.R, Laursen, N.S, Andersen, G.R. | | Deposit date: | 2017-04-06 | | Release date: | 2017-06-07 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Introducing site-specific cysteines into nanobodies for mercury labelling allows de novo phasing of their crystal structures.
Acta Crystallogr D Struct Biol, 73, 2017
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3NKB
 | | A 1.9A crystal structure of the HDV ribozyme precleavage suggests both Lewis acid and general acid mechanisms contribute to phosphodiester cleavage | | Descriptor: | DNA/RNA (5'-D(*(DUR))-D(*GP*G)-R(P*CP*UP*UP*GP*CP*A)-3'), MAGNESIUM ION, The hepatitis delta virus ribozyme | | Authors: | Chen, J.-H, Yajima, R, Chadalavada, D.M, Chase, E, Bevilacqua, P.C, Golden, B.L. | | Deposit date: | 2010-06-18 | | Release date: | 2010-09-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.916 Å) | | Cite: | A 1.9 A crystal structure of the HDV ribozyme precleavage suggests both Lewis acid and general acid mechanisms contribute to phosphodiester cleavage.
Biochemistry, 49, 2010
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7MNK
 | | Crystal structure of the tetramerization element of NUP358/RanBP2 (residues 805-832) | | Descriptor: | 1,2-ETHANEDIOL, E3 SUMO-protein ligase RanBP2, SULFATE ION | | Authors: | Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A. | | Deposit date: | 2021-05-01 | | Release date: | 2022-06-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
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