5AKI
 
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-03-03 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5AKE
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-03-03 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5AHX
 | | Apo structure of soluble epoxide hydrolase | | 分子名称: | BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, SULFATE ION | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-02-10 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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7DTD
 | | Voltage-gated sodium channel Nav1.1 and beta4 | | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 1 subunit alpha, ... | | 著者 | Yan, N, Pan, X, Li, Z, Huang, G. | | 登録日 | 2021-01-04 | | 公開日 | 2021-04-07 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Comparative structural analysis of human Na v 1.1 and Na v 1.5 reveals mutational hotspots for sodium channelopathies.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6HAU
 | | KSHV PAN RNA Mta-response element fragment complexed with the globular domain of herpesvirus saimiri ORF57 | | 分子名称: | ACETATE ION, MRE fragment of PAN RNA, ZINC ION, ... | | 著者 | Tunnicliffe, R.B, Levy, C, Ruiz Nivia, H.D, Sandri-Goldin, R.M, Golovanov, A.P. | | 登録日 | 2018-08-08 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Structural identification of conserved RNA binding sites in herpesvirus ORF57 homologs: implications for PAN RNA recognition.
Nucleic Acids Res., 47, 2019
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5AI4
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | 2-[(5-BROMO-2-PYRIDYL)-METHYL-AMINO]ETHANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-02-12 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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7U2K
 | | C6-guano bound Mu Opioid Receptor-Gi Protein Complex | | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | 著者 | Wang, H, Kobilka, B. | | 登録日 | 2022-02-24 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-02-08 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
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1Z7Q
 | | Crystal structure of the 20s proteasome from yeast in complex with the proteasome activator PA26 from Trypanosome brucei at 3.2 angstroms resolution | | 分子名称: | Potential proteasome component C5, Proteasome component C1, Proteasome component C11, ... | | 著者 | Forster, A, Whitby, F.G, Hill, C.P. | | 登録日 | 2005-03-26 | | 公開日 | 2005-08-09 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (3.22 Å) | | 主引用文献 | The 1.9 A structure of a proteasome-11S activator complex and implications for proteasome-PAN/PA700 interactions.
Mol.Cell, 18, 2005
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7U2L
 | | C5guano-uOR-Gi-scFv16 | | 分子名称: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | 著者 | Wang, H, Qu, Q, Skiniotis, G, Kobilka, B. | | 登録日 | 2022-02-24 | | 公開日 | 2022-05-04 | | 最終更新日 | 2023-02-08 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
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1IWP
 | | Glycerol Dehydratase-cyanocobalamin Complex of Klebsiella pneumoniae | | 分子名称: | COBALAMIN, Glycerol Dehydratase Alpha subunit, Glycerol Dehydratase Beta subunit, ... | | 著者 | Yamanishi, M, Yunoki, M, Tobimatsu, T, Toraya, T. | | 登録日 | 2002-05-28 | | 公開日 | 2002-10-02 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The crystal structure of coenzyme B12-dependent glycerol dehydratase in complex with cobalamin and propane-1,2-diol.
Eur.J.Biochem., 269, 2002
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8ABU
 | | Crystal structure of NaLdpA mutant H97Q in complex with erythro-DGPD | | 分子名称: | (1S,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, SnoaL-like domain-containing protein | | 著者 | Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E. | | 登録日 | 2022-07-04 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.661 Å) | | 主引用文献 | Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7RSJ
 | | Structure of the VPS34 kinase domain with compound 14 | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ... | | 著者 | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | 登録日 | 2021-08-11 | | 公開日 | 2021-11-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.881 Å) | | 主引用文献 | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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7RSP
 | | Structure of the VPS34 kinase domain with compound 14 | | 分子名称: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3 | | 著者 | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | 登録日 | 2021-08-11 | | 公開日 | 2021-11-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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6JBD
 | | Phosphotransferase-ATP complex related to CoA biosynthesis pathway | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | | 著者 | Kita, A, Kishimoto, A, Shimosaka, T, Tomita, H, Yokooji, Y, Imanaka, T, Atomi, H, Miki, K. | | 登録日 | 2019-01-25 | | 公開日 | 2020-01-29 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of pantoate kinase from Thermococcus kodakarensis.
Proteins, 88, 2020
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8H6Q
 | | Class I sesquiterpene synthase BCBOT2 (apo) | | 分子名称: | Presilphiperfolan-8-beta-ol synthase | | 著者 | Lou, T.T, Ma, M. | | 登録日 | 2022-10-18 | | 公開日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Insights into Three Sesquiterpene Synthases for the Biosynthesis of Tricyclic Sesquiterpenes and Chemical Space Expansion by Structure-Based Mutagenesis.
J.Am.Chem.Soc., 2023
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8H4P
 | | class I sesquiterpene synthase | | 分子名称: | Longiborneol synthase CLM1, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ... | | 著者 | Li, A.N, Lou, T.T, Ma, M. | | 登録日 | 2022-10-11 | | 公開日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Structural Insights into Three Sesquiterpene Synthases for the Biosynthesis of Tricyclic Sesquiterpenes and Chemical Space Expansion by Structure-Based Mutagenesis.
J.Am.Chem.Soc., 2023
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8H6U
 | | Class I sesquiterpene synthase BCBOT2 (complex) | | 分子名称: | MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, PYROPHOSPHATE 2-, ... | | 著者 | Lou, T.T, Ma, M. | | 登録日 | 2022-10-18 | | 公開日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | Structural Insights into Three Sesquiterpene Synthases for the Biosynthesis of Tricyclic Sesquiterpenes and Chemical Space Expansion by Structure-Based Mutagenesis.
J.Am.Chem.Soc., 2023
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6JBC
 | | Phosphotransferase related to CoA biosynthesis pathway | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | 著者 | Kita, A, Kishimoto, A, Shimosaka, T, Tomita, H, Yokooji, Y, Imanaka, T, Atomi, H, Miki, K. | | 登録日 | 2019-01-25 | | 公開日 | 2020-01-29 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of pantoate kinase from Thermococcus kodakarensis.
Proteins, 88, 2020
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2EWS
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4DST
 | | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | | 分子名称: | 1,2-ETHANEDIOL, 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine, ACETATE ION, ... | | 著者 | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | | 登録日 | 2012-02-19 | | 公開日 | 2012-04-04 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4DSO
 | | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, BENZAMIDINE, GLYCEROL, ... | | 著者 | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | | 登録日 | 2012-02-19 | | 公開日 | 2012-04-04 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
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6GX7
 | | Tubulin-CopN-alphaRep complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Gigant, B, Campanacci, V. | | 登録日 | 2018-06-26 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | | 主引用文献 | Insight into microtubule nucleation from tubulin-capping proteins.
Proc.Natl.Acad.Sci.USA, 116, 2019
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2B96
 | | Third Calcium ion found in an inhibitor bound phospholipase A2 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-METHOXYBENZOIC ACID, CALCIUM ION, ... | | 著者 | Sekar, K, Velmurugan, D, Yamane, T, Tsai, M.D. | | 登録日 | 2005-10-11 | | 公開日 | 2006-03-28 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Third Calcium ion found in an inhibitor bound phospholipase A2
Acta Crystallogr.,Sect.D, 62, 2006
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8V4U
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3PMW
 | | Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator | | 分子名称: | DIMETHYL SULFOXIDE, GLUTAMIC ACID, GLYCEROL, ... | | 著者 | Maclean, J.K.F, Jamieson, C, Brown, C.I, Campbell, R.A, Gillen, K.J, Gillespie, J, Kazemier, B, Kiczun, M, Lamont, Y, Lyons, A.J, Moir, E.M, Morrow, J.A, Pantling, J, Rankovic, Z, Smith, L. | | 登録日 | 2010-11-18 | | 公開日 | 2011-01-12 | | 最終更新日 | 2023-05-31 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure based evolution of a novel series of positive modulators of the AMPA receptor.
Bioorg.Med.Chem.Lett., 21, 2011
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