6I5G
 
 | | X-ray structure of human soluble Epoxide Hydrolase C-terminal Domain (hsEH CTD)in complex with 15d-PGJ2 | | 分子名称: | (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2 | | 著者 | Abis, G, Kopec, J, Yue, W.W, Conte, M.R. | | 登録日 | 2018-11-13 | | 公開日 | 2019-05-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 15-deoxy-Delta12,14-Prostaglandin J2inhibits human soluble epoxide hydrolase by a dual orthosteric and allosteric mechanism.
Commun Biol, 2, 2019
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8JSM
 | | The structure of EBOV L-VP35-RNA complex (conformation 1) | | 分子名称: | Polymerase cofactor VP35, RNA-directed RNA polymerase L, The leader sequence of EBOV genome., ... | | 著者 | Qi, P, Yi, S. | | 登録日 | 2023-06-20 | | 公開日 | 2023-09-27 | | 最終更新日 | 2025-07-16 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Molecular mechanism of de novo replication by the Ebola virus polymerase.
Nature, 622, 2023
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9FHE
 | | hKHK-C in complex with BI-9787 (pH 5.5) | | 分子名称: | (2~{S})-3-[3-[[4-[bis(fluoranyl)methyl]-3-cyano-6-[(3~{S})-3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]-2-methyl-propanoic acid, Ketohexokinase | | 著者 | Ebenhoch, R, Pautsch, A. | | 登録日 | 2024-05-27 | | 公開日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.313 Å) | | 主引用文献 | Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability.
Bioorg.Med.Chem.Lett., 112, 2024
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6EYJ
 | | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand NV354 | | 分子名称: | (2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[(1~{R},2~{R})-2-[(2~{R},3~{S},4~{R},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxycyclohexyl]oxy-oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T. | | 登録日 | 2017-11-13 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Strengthening an Intramolecular Non-Classical Hydrogen Bond to Get in Shape for Binding.
Angew.Chem.Int.Ed.Engl., 63, 2024
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4ND6
 | | Crystal structure of apo 3-nitro-tyrosine tRNA synthetase (5B) in the open form | | 分子名称: | GLYCEROL, Tyrosine-tRNA ligase | | 著者 | Cooley, R.B, Driggers, C.M, Karplus, P.A, Mehl, R.A. | | 登録日 | 2013-10-25 | | 公開日 | 2014-03-19 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Basis of Improved Second-Generation 3-Nitro-tyrosine tRNA Synthetases.
Biochemistry, 53, 2014
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8XL2
 | | Human acetyl-CoA carboxylase 1 filament in complex with acetyl-CoA (ACC1-inact) | | 分子名称: | ACETYL COENZYME *A, Acetyl-CoA carboxylase 1 | | 著者 | Zhou, F.Y, Zhang, Y.Y, Zhou, Q, Hu, Q. | | 登録日 | 2023-12-25 | | 公開日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (2.73 Å) | | 主引用文献 | Filament structures unveil the dynamic organization of human acetyl-CoA carboxylase.
Sci Adv, 10, 2024
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8XF9
 | | High-resolution structure of the siderophore periplasmic binding protein FtsB mutant Y137A from Streptococcus pyogenes | | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Caaveiro, J.M.M, Fernandez-Perez, J, Tsumoto, K. | | 登録日 | 2023-12-13 | | 公開日 | 2024-10-09 | | 最終更新日 | 2024-12-18 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Structural basis for the ligand promiscuity of the hydroxamate siderophore binding protein FtsB from Streptococcus pyogenes.
Structure, 32, 2024
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8XFI
 | | High-resolution structure of the siderophore periplasmic binding protein FtsB from Streptococcus pyogenes with ferrioxamine E bound (crystal form 2) | | 分子名称: | (8E)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone, CHLORIDE ION, FE (III) ION, ... | | 著者 | Caaveiro, J.M.M, Fernandez-Perez, J, Tsumoto, K. | | 登録日 | 2023-12-13 | | 公開日 | 2024-10-09 | | 最終更新日 | 2024-12-18 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural basis for the ligand promiscuity of the hydroxamate siderophore binding protein FtsB from Streptococcus pyogenes.
Structure, 32, 2024
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8XFA
 | | Structure of the siderophore periplasmic binding protein FtsB mutant Y137A from Streptococcus pyogenes with ferrioxamine E bound | | 分子名称: | (8E)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone, FE (III) ION, GLYCEROL, ... | | 著者 | Caaveiro, J.M.M, Fernandez-Perez, J, Tsumoto, K. | | 登録日 | 2023-12-13 | | 公開日 | 2024-10-09 | | 最終更新日 | 2024-12-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural basis for the ligand promiscuity of the hydroxamate siderophore binding protein FtsB from Streptococcus pyogenes.
Structure, 32, 2024
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9JKQ
 | | Cryo-EM structure of the METH-bound hTAAR1-Gs complex | | 分子名称: | (2S)-N-methyl-1-phenylpropan-2-amine, 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, ... | | 著者 | Lin, Y, Wang, J, Shi, F. | | 登録日 | 2024-09-16 | | 公開日 | 2024-10-16 | | 最終更新日 | 2025-07-23 | | 実験手法 | ELECTRON MICROSCOPY (2.66 Å) | | 主引用文献 | Molecular Mechanisms of Methamphetamine-Induced Addiction via TAAR1 Activation.
J.Med.Chem., 67, 2024
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6TW2
 | | Re-refined crystal structure of di-phosphorylated human CLK1 in complex with a novel substituted indole inhibitor | | 分子名称: | Dual specificity protein kinase CLK1, ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate | | 著者 | Loll, B, Haltenhof, T, Heyd, F, Wahl, M.C. | | 登録日 | 2020-01-12 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A Conserved Kinase-Based Body-Temperature Sensor Globally Controls Alternative Splicing and Gene Expression.
Mol.Cell, 78, 2020
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8XL1
 | | Core region of the human acetyl-CoA carboxylase 1 filament in complex with acetyl-CoA (ACC1-inact) | | 分子名称: | ACETYL COENZYME *A, Acetyl-CoA carboxylase 1 | | 著者 | Zhou, F.Y, Zhang, Y.Y, Zhou, Q, Hu, Q. | | 登録日 | 2023-12-25 | | 公開日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (2.57 Å) | | 主引用文献 | Filament structures unveil the dynamic organization of human acetyl-CoA carboxylase.
Sci Adv, 10, 2024
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6RWJ
 | | Crystal Structure of BRD4(1) bound to inhibitor BUG0 (6) | | 分子名称: | Bromodomain-containing protein 4, ~{N},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | | 著者 | Huegle, M. | | 登録日 | 2019-06-05 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
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4NIF
 | | Heterodimeric structure of ERK2 and RSK1 | | 分子名称: | Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1, ... | | 著者 | Gogl, G, Remenyi, A. | | 登録日 | 2013-11-06 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural assembly of the signaling competent ERK2-RSK1 heterodimeric protein kinase complex
Proc.Natl.Acad.Sci.USA, 112, 2015
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3N08
 | | Crystal Structure of a Putative PhosphatidylEthanolamine-Binding Protein (PEBP) Homolog CT736 from Chlamydia trachomatis D/UW-3/CX | | 分子名称: | CALCIUM ION, CHLORIDE ION, Putative PhosphatidylEthanolamine-Binding Protein (PEBP) | | 著者 | Brunzelle, J.S, Wawrzak, Z, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2010-05-13 | | 公開日 | 2010-07-14 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | 1.25 Angstrom Crystal Structure of a Putative PhosphatidylEthanolamine-Binding Protein (PEBP) Homolog CT736 from Chlamydia trachomatis D/UW-3/CX
To be Published
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8RP1
 | | Aminodeoxychorismate synthase complex from Escherichia coli, with glutamine added | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Aminodeoxychorismate synthase component 1, Aminodeoxychorismate synthase component 2, ... | | 著者 | Sung, S, Franziska, J.F, Schlee, S, Sterner, R, Wilmanns, M. | | 登録日 | 2024-01-12 | | 公開日 | 2025-01-29 | | 最終更新日 | 2025-05-28 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Activity Regulation of a Glutamine Amidotransferase Bienzyme Complex by Substrate-Induced Subunit Interface Expansion.
Acs Catalysis, 15, 2025
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9FLT
 | | Crystal structure of human Haspin (GSG2) kinase bound to chemical probe MU1920 | | 分子名称: | NICKEL (II) ION, Serine/threonine-protein kinase haspin, ~{N}-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridin-5-amine | | 著者 | Kraemer, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2024-06-05 | | 公開日 | 2024-09-11 | | 最終更新日 | 2025-03-26 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Thieno[3,2-b]pyridine: Attractive scaffold for highly selective inhibitors of underexplored protein kinases with variable binding mode.
Angew.Chem.Int.Ed.Engl., 64, 2025
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3N2L
 | | 2.1 Angstrom resolution crystal structure of an Orotate Phosphoribosyltransferase (pyrE) from Vibrio cholerae O1 biovar eltor str. N16961 | | 分子名称: | CHLORIDE ION, Orotate phosphoribosyltransferase | | 著者 | Halavaty, A.S, Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2010-05-18 | | 公開日 | 2010-06-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | 2.1 Angstrom resolution crystal structure of an Orotate Phosphoribosyltransferase
(pyrE) from Vibrio cholerae O1 biovar eltor str. N16961
To be Published
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4NNN
 | | yCP in complex with MG132 | | 分子名称: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, Probable proteasome subunit alpha type-7, ... | | 著者 | Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M. | | 登録日 | 2013-11-18 | | 公開日 | 2014-02-12 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
Angew.Chem.Int.Ed.Engl., 53, 2014
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8HFI
 | | Cryo-EM structure of human norepinephrine transporter NET in the presence of the antidepressant desipramine in an inward-open state at resolution of 2.5 angstrom. | | 分子名称: | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, CHLORIDE ION, Sodium-dependent noradrenaline transporter | | 著者 | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | | 登録日 | 2022-11-10 | | 公開日 | 2024-05-15 | | 最終更新日 | 2025-07-16 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Molecular basis of human noradrenaline transporter reuptake and inhibition.
Nature, 632, 2024
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6RS4
 | | Structure of tabersonine synthase - an alpha-beta hydrolase from Catharanthus roseus | | 分子名称: | 1,2-ETHANEDIOL, Tabersonine synthase | | 著者 | Caputi, L, Franke, J, Bussey, K, Farrow, S.C, Curcino Vieira, I.J, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E. | | 登録日 | 2019-05-21 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Nat.Chem.Biol., 16, 2020
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5JJ6
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8HVZ
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7BWV
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7VB6
 | | Crystal structure of hydroxynitrile lyase from Linum usitatissium complexed with (R)-2-hydroxy-2-methylbutanenitrile | | 分子名称: | (2R)-2-methyl-2-oxidanyl-butanenitrile, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Zheng, D, Nakabayashi, M, Asano, Y. | | 登録日 | 2021-08-30 | | 公開日 | 2022-02-09 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Structural characterization of Linum usitatissimum hydroxynitrile lyase: A new cyanohydrin decomposition mechanism involving a cyano-zinc complex.
J.Biol.Chem., 298, 2022
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