6YCT
 
 | | Crystal structure of GcoA F169A_T296S bound to p-vanillin | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxy-3-methoxybenzaldehyde, Cytochrome P450, ... | | 著者 | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | 登録日 | 2020-03-19 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCM
 | | Crystal structure of GcoA T296S bound to p-vanillin | | 分子名称: | 4-hydroxy-3-methoxybenzaldehyde, Aromatic O-demethylase, cytochrome P450 subunit, ... | | 著者 | Mallinson, S.J.B, Hinchen, D.J, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | 登録日 | 2020-03-18 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6CUE
 | | Cryo-EM structure at 4.0 A resolution of vaccine-elicited antibody vFP7.04 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | 著者 | Acharya, P, Carragher, B, Potter, C.S, Kwong, P.D. | | 登録日 | 2018-03-26 | | 公開日 | 2018-07-11 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Complete functional mapping of infection- and vaccine-elicited antibodies against the fusion peptide of HIV.
PLoS Pathog., 14, 2018
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6CRQ
 | | Glutaraldehyde-treated BG505 SOSIP.664 Env in complex with PGV04 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | | 著者 | Pallesen, J, Ward, A.B. | | 登録日 | 2018-03-19 | | 公開日 | 2018-04-18 | | 最終更新日 | 2022-03-16 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Structural and immunologic correlates of chemically stabilized HIV-1 envelope glycoproteins.
PLoS Pathog., 14, 2018
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6YCN
 | | Crystal structure of GcoA F169A bound to o-vanillin | | 分子名称: | 2-(hydroxymethyl)-6-methoxy-phenol, Aromatic O-demethylase, cytochrome P450 subunit, ... | | 著者 | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | 登録日 | 2020-03-18 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6YCI
 | | Crystal structure of GcoA T296G bound to guaiacol | | 分子名称: | Aromatic O-demethylase, cytochrome P450 subunit, Guaiacol, ... | | 著者 | Hinchen, D.J, Mallinson, S.J.B, Allen, M.D, Ellis, E.S, Beckham, G.T, DuBois, J.L, McGeehan, J.E. | | 登録日 | 2020-03-18 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Jacs Au, 1, 2021
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6Y0T
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6CSC
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6Y08
 | | Mouse thymidylate synthase cocrystallized with dUMP and soaked in sulfamethoxazole | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Sulfamethoxazole, Thymidylate synthase | | 著者 | Maj, P, Jarmula, A, Wilk, P, Weiss, M.S, Rode, W. | | 登録日 | 2020-02-06 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.297 Å) | | 主引用文献 | Mouse thymidylate synthase cocrystallized with dUMP and soaked in sulfamethoxazole
To Be Published
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8VD0
 | | Human TCR ET650-4 in complex with DQ8-InsC8-15-IAPP2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hybrid insulin peptide (HIP; InsC8-15-IAPP74-80),MHC class II HLA-DQ-beta-1 chimera, ... | | 著者 | Tran, T.M, Lim, J.J, Loh, T.Y, Mannering, I.S, Rossjohn, J, Reid, H.H. | | 登録日 | 2023-12-14 | | 公開日 | 2024-08-07 | | 最終更新日 | 2024-08-14 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A structural basis of T cell cross-reactivity to native and spliced self-antigens presented by HLA-DQ8.
J.Biol.Chem., 2024
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6Q20
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2J9R
 | | Thymidine kinase from B. anthracis in complex with dT. | | 分子名称: | PHOSPHATE ION, THYMIDINE, THYMIDINE KINASE, ... | | 著者 | Kosinska, U, Carnrot, C, Sandrini, M.P.B, Clausen, A.R, Wang, L, Piskur, J, Eriksson, S, Eklund, H. | | 登録日 | 2006-11-15 | | 公開日 | 2007-01-23 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural Studies of Thymidine Kinases from Bacillus Anthracis and Bacillus Cereus Provide Insights Into Quaternary Structure and Conformational Changes Upon Substrate Binding
FEBS J., 274, 2007
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8AUC
 | | Structure of peptidoglycan hydrolase Cg1735 from Corynebacterium glutamicum, trigonal crystal form | | 分子名称: | Cell wall-associated hydrolases (Invasion-associated proteins), TETRACHLOROPLATINATE(II) | | 著者 | Gaday, Q, Wehenkel, A.M, Alzari, P.M, Legrand, P. | | 登録日 | 2022-08-25 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | FtsEX-independent control of RipA-mediated cell separation in Corynebacteriales.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6F3Y
 | | Backbone structure of Des-Arg10-Kallidin (DAKD) peptide bound to human Bradykinin 1 Receptor (B1R) determined by DNP-enhanced MAS SSNMR | | 分子名称: | Kininogen-1 | | 著者 | Mao, J, Kuenze, G, Joedicke, L, Meiler, J, Michel, H, Glaubitz, C. | | 登録日 | 2017-11-29 | | 公開日 | 2018-01-10 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLID-STATE NMR | | 主引用文献 | The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat. Chem. Biol., 14, 2018
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6Q3B
 | | CDK2 in complex with FragLite2 | | 分子名称: | 4-IODOPYRAZOLE, Cyclin-dependent kinase 2 | | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | | 登録日 | 2018-12-04 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6CPT
 | | crystal structure of yeast caPDE2 in complex with IBMX | | 分子名称: | 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Phosphodiesterase, ... | | 著者 | Ke, h, Wang, Y. | | 登録日 | 2018-03-14 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions.
Biochemistry, 57, 2018
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6Q49
 | | CDK2 in complex with FragLite6 | | 分子名称: | 4-bromanyl-1~{H}-pyridin-2-one, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | | 登録日 | 2018-12-05 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6F7E
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6Q4G
 | | CDK2 in complex with FragLite37 | | 分子名称: | 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid, Cyclin-dependent kinase 2 | | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | | 登録日 | 2018-12-05 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6CP9
 | | Contact-dependent growth inhibition toxin - immunity protein complex from Klebsiella pneumoniae 342 | | 分子名称: | CdiA, CdiI | | 著者 | Michalska, K, Stols, L, Eschenfeldt, W, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI) | | 登録日 | 2018-03-13 | | 公開日 | 2019-03-13 | | 最終更新日 | 2020-01-01 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Convergent Evolution of the Barnase/EndoU/Colicin/RelE (BECR) Fold in Antibacterial tRNase Toxins.
Structure, 27, 2019
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8VDJ
 | | Crystal structure of SARS-CoV-2 3CL protease (3CLpro) as a covalent complex with EDP-235 | | 分子名称: | 3C-like proteinase nsp5, 4,6,7-trifluoro-N-{(2S)-1-[(3R,5'R)-5'-(iminomethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidin]-1'-yl]-4-methyl-1-oxopentan-2-yl}-N-methyl-1H-indole-2-carboxamide, THIOCYANATE ION | | 著者 | Cade, I.A, Rhodin, M.H.J. | | 登録日 | 2023-12-15 | | 公開日 | 2024-08-14 | | 実験手法 | X-RAY DIFFRACTION (2.002 Å) | | 主引用文献 | The small molecule inhibitor of SARS-CoV-2 3CLpro EDP-235 prevents viral replication and transmission in vivo.
Nat Commun, 15, 2024
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6FNT
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2JEV
 | | Crystal structure of human spermine,spermidine acetyltransferase in complex with a bisubstrate analog (N1-acetylspermine-S-CoA). | | 分子名称: | (3R)-27-AMINO-3-HYDROXY-2,2-DIMETHYL-4,8,14-TRIOXO-12-THIA-5,9,15,19,24-PENTAAZAHEPTACOS-1-YL [(2S,3R,4S,5S)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE, DIAMINE ACETYLTRANSFERASE 1 | | 著者 | Hegde, S.S, Chandler, J, Vetting, M.W, Yu, M, Blanchard, J.S. | | 登録日 | 2007-01-23 | | 公開日 | 2007-06-05 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Mechanistic and Structural Analysis of Human Spermidine/Spermine N(1)-Acetyltransferase.
Biochemistry, 46, 2007
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6FQD
 | | Escherichia Coli Signal Recognition Particle Receptor FtsY NGdN1 | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, POTASSIUM ION, Signal recognition particle receptor FtsY | | 著者 | Mrusek, D. | | 登録日 | 2018-02-13 | | 公開日 | 2018-05-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.10000563 Å) | | 主引用文献 | Co-translational Folding Intermediate Dictates Membrane Targeting of the Signal Recognition Particle Receptor.
J. Mol. Biol., 430, 2018
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2IYS
 | | Shikimate kinase from Mycobacterium tuberculosis in complex with shikimate, open LID (conf. A) | | 分子名称: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, CHLORIDE ION, SHIKIMATE KINASE | | 著者 | Hartmann, M.D, Bourenkov, G.P, Oberschall, A, Strizhov, N, Bartunik, H.D. | | 登録日 | 2006-07-21 | | 公開日 | 2006-10-11 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Mechanism of Phosphoryl Transfer Catalyzed by Shikimate Kinase from Mycobacterium Tuberculosis.
J.Mol.Biol., 364, 2006
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