8QV5
 
 | | Structure of human SPNS2 in LMNG | | 分子名称: | Nanobody D12, Sphingosine-1-phosphate transporter SPNS2 | | 著者 | Li, H.Z, Pike, A.C.W, McKinley, G, Mukhopadhyay, S.M.M, Moreau, C, Scacioc, A, Abrusci, P, Borkowska, O, Chalk, R, Stefanic, S, Burgess-Brown, N, Duerr, K.L, Sauer, D.B. | | 登録日 | 2023-10-17 | | 公開日 | 2025-02-19 | | 実験手法 | ELECTRON MICROSCOPY (3.69 Å) | | 主引用文献 | Transport and inhibition of the sphingosine-1-phosphate exporter SPNS2.
Nat Commun, 16, 2025
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8QV6
 | | Structure of human SPNS2 in DDM | | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Nanobody D12, Sphingosine-1-phosphate transporter SPNS2 | | 著者 | Li, H.Z, Pike, A.C.W, McKinley, G, Mukhopadhyay, S.M.M, Moreau, C, Scacioc, A, Abrusci, P, Borkowska, O, Chalk, R, Stefanic, S, Burgess-Brown, N, Duerr, K.L, Sauer, D.B. | | 登録日 | 2023-10-17 | | 公開日 | 2025-02-19 | | 実験手法 | ELECTRON MICROSCOPY (3.68 Å) | | 主引用文献 | Transport and inhibition of the sphingosine-1-phosphate exporter SPNS2.
Nat Commun, 16, 2025
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7AGU
 | | Structure of the S726F mutant of AcylTransferase domain of Mycocerosic Acid Synthase from Mycobacterium tuberculosis acylated with MethylMalonyl-coenzyme A | | 分子名称: | 1,2-ETHANEDIOL, METHYLMALONIC ACID, Mycocerosic acid synthase | | 著者 | Brison, Y, Mourey, L, Maveyraud, L. | | 登録日 | 2020-09-23 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Molecular Basis for Extender Unit Specificity of Mycobacterial Polyketide Synthases.
Acs Chem.Biol., 15, 2020
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8QCE
 | | Dispersin from Lactiplantibacillus paraplantarum DispLp | | 分子名称: | 1,2-ETHANEDIOL, 6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Males, A, Moroz, O.V, Blagova, E, Munch, A, Hansen, G.H, Johansen, A.H, Ostergaard, L.H, Segura, D.R, Eddenden, A, Due, A.V, Gudmand, M, Salomon, J, Sorensen, S.R, Cairo, J.L.F, Pache, R.A, Vejborg, R.M, Davies, G.J, Wilson, K.S. | | 登録日 | 2023-08-25 | | 公開日 | 2025-03-12 | | 最終更新日 | 2025-03-19 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Expansion of the diversity of dispersin scaffolds.
Acta Crystallogr D Struct Biol, 81, 2025
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6H6K
 | | The structure of the FKR mutant of the archaeal translation initiation factor 2 gamma subunit in complex with GDPCP, obtained in the absence of magnesium salts in the crystallization solution. | | 分子名称: | 1,2-ETHANEDIOL, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, SODIUM ION, ... | | 著者 | Nikonov, O, Kravchenko, O, Nevskaya, N, Stolboushkina, E, Gabdulkhakov, A, Garber, M, Nikonov, S. | | 登録日 | 2018-07-27 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The third structural switch in the archaeal translation initiation factor 2 (aIF2) molecule and its possible role in the initiation of GTP hydrolysis and the removal of aIF2 from the ribosome.
Acta Crystallogr D Struct Biol, 75, 2019
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6YBM
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7QWO
 | | ATAD2 in complex with FragLite6 | | 分子名称: | 1,2-ETHANEDIOL, 4-bromanyl-1~{H}-pyridin-2-one, ATPase family AAA domain-containing protein 2, ... | | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | 登録日 | 2022-01-25 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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7QXT
 | | ATAD2 in complex with FragLite10 | | 分子名称: | 1,2-ETHANEDIOL, 6-bromo-1,3-dihydro-2H-indol-2-one, ATPase family AAA domain-containing protein 2, ... | | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | 登録日 | 2022-01-27 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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6NEB
 | | MYC Promoter G-Quadruplex with 1:6:1 loop length | | 分子名称: | DNA (27-MER) | | 著者 | Dickerhoff, J, Onel, B, Chen, L, Chen, Y, Yang, D. | | 登録日 | 2018-12-17 | | 公開日 | 2019-02-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structure of a MYC Promoter G-Quadruplex with 1:6:1 Loop Length.
Acs Omega, 4, 2019
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7R00
 | | ATAD2 in complex with FragLite33 | | 分子名称: | 1,2-ETHANEDIOL, 3-azanyl-5-bromanyl-1-methyl-pyridin-2-one, ATPase family AAA domain-containing protein 2, ... | | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | 登録日 | 2022-02-01 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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4WTI
 | | CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS IN COMPLEX WITH RNA TEMPLATE 5'-ACGG, RNA PRIMER 5'-PCC, MN2+, AND GDP | | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Edwards, T.E, Appleby, T.C. | | 登録日 | 2014-10-30 | | 公開日 | 2015-02-11 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural basis for RNA replication by the hepatitis C virus polymerase.
Science, 347, 2015
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5MXY
 | | KustC0563 c-type cytochrome | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Cytochrome c-552 Ks_3358, ... | | 著者 | Mohd, A, Barends, T. | | 登録日 | 2017-01-25 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Specificity of Small c -Type Cytochromes in Anaerobic Ammonium Oxidation.
Acs Omega, 6, 2021
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4WKU
 | | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ | | 分子名称: | Acyl-homoserine lactone acylase PvdQ, GLYCEROL, hexyl(trihydroxy)borate(1-) | | 著者 | Wu, R, Clevenger, K.D, Fast, W, Liu, D. | | 登録日 | 2014-10-03 | | 公開日 | 2014-11-12 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ.
Biochemistry, 53, 2014
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8SV9
 | | Crystal structure of ULK1 kinase domain with inhibitor MR-2088 | | 分子名称: | (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide, 1,2-ETHANEDIOL, SULFATE ION, ... | | 著者 | Schonbrunn, E, Sun, L. | | 登録日 | 2023-05-15 | | 公開日 | 2024-03-27 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Development of potent and selective ULK1/2 inhibitors based on 7-azaindole scaffold with favorable in vivo properties.
Eur.J.Med.Chem., 266, 2024
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8TD1
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8H97
 | | GH86 agarase Aga86A_Wa | | 分子名称: | Beta-agarase, CALCIUM ION, HEXAETHYLENE GLYCOL | | 著者 | Zhang, Y.Y, Dong, S, Feng, Y.G, Chang, Y.G. | | 登録日 | 2022-10-25 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.194 Å) | | 主引用文献 | Structural characterization on a beta-agarase Aga86A_Wa from Wenyingzhuangia aestuarii reveals the prevalent methyl-galactose accommodation capacity of GH86 enzymes at subsite -1.
Carbohydr Polym, 306, 2023
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6YMW
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6W26
 | | Terpenoid Cyclase FgGS in Complex with Mg, Inorganic Pyrophosphate, and Imidazole | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, IMIDAZOLE, ... | | 著者 | Herbst-Gervasoni, C.J, Christianson, D.W. | | 登録日 | 2020-03-05 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Discovery of the cryptic function of terpene cyclases as aromatic prenyltransferases.
Nat Commun, 11, 2020
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6YPJ
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8REF
 | | Crystal structure of HLA B*13:01 in complex with SVLNDILARL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984) | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S. | | 登録日 | 2023-12-11 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific.
Curr Res Struct Biol, 7, 2024
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5MBA
 | | BINDING MODE OF AZIDE TO FERRIC APLYSIA LIMACINA MYOGLOBIN. CRYSTALLOGRAPHIC ANALYSIS AT 1.9 ANGSTROMS RESOLUTION | | 分子名称: | AZIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Bolognesi, M, Onesti, S, Gatti, G, Coda, A, Ascenzi, P, Brunori, M. | | 登録日 | 1991-01-14 | | 公開日 | 1992-07-15 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Binding mode of azide to ferric Aplysia limacina myoglobin. Crystallographic analysis at 1.9 A resolution.
J.Mol.Recog., 4, 1991
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7ZU3
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8RCV
 | | Crystal structure of HLA B*13:01 in complex with SVLNDIFSRL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984) | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen B alpha chain, ... | | 著者 | Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S. | | 登録日 | 2023-12-07 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific.
Curr Res Struct Biol, 7, 2024
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8EXO
 | | Crystal structure of PI3K-alpha in complex with compound 19 | | 分子名称: | 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | | 登録日 | 2022-10-25 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
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6YGD
 | | Crystal structure of the NatC complex bound to Gag peptide and CoA | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, COENZYME A, ... | | 著者 | Grunwald, S, Hopf, L, Bock-Bierbaum, T, Lally, C.C, Spahn, C.M.T, Daumke, O. | | 登録日 | 2020-03-27 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.752 Å) | | 主引用文献 | Divergent architecture of the heterotrimeric NatC complex explains N-terminal acetylation of cognate substrates.
Nat Commun, 11, 2020
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