8JWZ
 
 | | Crystal structure of A2AR-T4L in complex with AB928 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ... | | 著者 | Weng, Y, Chen, Y, Xu, Y, Song, G. | | 登録日 | 2023-06-29 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
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8U0H
 | | Crystal structure of PTPN2 with a PROTAC | | 分子名称: | (5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[2-(4-{3-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl}piperidin-1-yl)acetamido]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid, ACETATE ION, PTPN2, ... | | 著者 | Jain, R, Longenecker, K, Qiu, W. | | 登録日 | 2023-08-29 | | 公開日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Mechanistic insights into a heterobifunctional degrader-induced PTPN2/N1 complex.
Commun Chem, 7, 2024
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6EGS
 | | Crystal structure of the GalNAc-T2 F104S mutant in complex with UDP-GalNAc | | 分子名称: | MANGANESE (II) ION, Polypeptide N-acetylgalactosaminyltransferase 2, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE | | 著者 | de las Rivas, M, Coelho, H, Diniz, A, Lira-Navarrete, E, Jimenez-Barbero, J, Schjoldager, K.T, Bennett, E.P, Vakhrushev, S.Y, Clausen, H, Corzana, F, Marcelo, F, Hurtado-Guerrero, R. | | 登録日 | 2017-09-12 | | 公開日 | 2018-04-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural Analysis of a GalNAc-T2 Mutant Reveals an Induced-Fit Catalytic Mechanism for GalNAc-Ts.
Chemistry, 24, 2018
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8K5R
 | | CDK9/cyclin T1 in complex with KB-0742 | | 分子名称: | (1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine, Cyclin-T1, Cyclin-dependent kinase 9 | | 著者 | Zhou, M, Li, H, Gao, H, Trotter, B.W, Freeman, D. | | 登録日 | 2023-07-24 | | 公開日 | 2023-12-06 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3.751 Å) | | 主引用文献 | Discovery of KB-0742, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of CDK9 for MYC-Dependent Cancers.
J.Med.Chem., 66, 2023
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6EL3
 | | Structure of Progesterone 5beta-Reductase from Arabidopsis thaliana in complex with NADP | | 分子名称: | 3-oxo-Delta(4,5)-steroid 5-beta-reductase, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Muller, Y.A, Schmidt, K, Egerer-Sieber, C. | | 登録日 | 2017-09-27 | | 公開日 | 2018-09-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.899 Å) | | 主引用文献 | PRISEs (progesterone 5 beta-reductase and/or iridoid synthase-like 1,4-enone reductases): Catalytic and substrate promiscuity allows for realization of multiple pathways in plant metabolism.
Phytochemistry, 156, 2018
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8VA1
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8UTE
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 27 | | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | 著者 | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | | 登録日 | 2023-10-31 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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8K3C
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8VRN
 | | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus PPTQ | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-methylphenyl)-2-phenylquinazolin-4(3H)-one, ... | | 著者 | Chojnacka, W, Teng, J, Kim, J.J, Jensen, A.A, Hibbs, R.E. | | 登録日 | 2024-01-22 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (2.57 Å) | | 主引用文献 | Structural insights into GABA A receptor potentiation by Quaalude.
Nat Commun, 15, 2024
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8VQY
 | | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus methaqualone | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one, GAMMA-AMINO-BUTANOIC ACID, ... | | 著者 | Chojnacka, W, Teng, J, Kim, J.J, Jensen, A.A, Hibbs, R.E. | | 登録日 | 2024-01-19 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (2.82 Å) | | 主引用文献 | Structural insights into GABA A receptor potentiation by Quaalude.
Nat Commun, 15, 2024
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7CEQ
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7CER
 | | Crystal structure of D-cycloserine-bound form of cysteine desulfurase SufS H121A from Bacillus subtilis | | 分子名称: | Cysteine desulfurase SufS, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Nakamura, R, Takahashi, Y, Fujishiro, T. | | 登録日 | 2020-06-24 | | 公開日 | 2021-06-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 2022
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7CEP
 | | Crystal structure of L-cycloserine-bound form of cysteine desulfurase SufS from Bacillus subtilis | | 分子名称: | (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Cysteine desulfurase SufS, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Nakamura, R, Yasuhiro, T, Fujishiro, T. | | 登録日 | 2020-06-24 | | 公開日 | 2021-06-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 2022
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7CEO
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7CES
 | | Crystal structure of L-cycloserine-bound form of cysteine desulfurase SufS H121A from Bacillus subtilis | | 分子名称: | (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Cysteine desulfurase SufS, DI(HYDROXYETHYL)ETHER | | 著者 | Nakamura, R, Takahashi, Y, Fujishiro, T. | | 登録日 | 2020-06-24 | | 公開日 | 2021-06-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 2022
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6F2R
 | | A heterotetramer of human HspB2 and HspB3 | | 分子名称: | Heat shock protein beta-2, Heat shock protein beta-3,Heat shock protein beta-3,Heat shock protein beta-3,Heat shock protein beta-3,Heat shock protein beta-2, HspB2,Heat shock protein beta-2,Heat shock protein beta-2,Heat shock protein beta-2,Heat shock protein beta-2,Heat shock protein beta-2, ... | | 著者 | Clark, A.R, Cole, A.R, Boelens, W.C, Keep, N.H, Slingsby, C. | | 登録日 | 2017-11-27 | | 公開日 | 2018-07-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.9 Å) | | 主引用文献 | Terminal Regions Confer Plasticity to the Tetrameric Assembly of Human HspB2 and HspB3.
J.Mol.Biol., 430, 2018
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6F9V
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7D54
 | | Crstal structure MsGATase with Gln | | 分子名称: | GLUTAMINE, Glutamine amidotransferase class-I | | 著者 | Chen, Y, Zhang, Q, Bartlam, M. | | 登録日 | 2020-09-24 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
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7D4R
 | | SpuA native structure | | 分子名称: | MAGNESIUM ION, Probable glutamine amidotransferase | | 著者 | Chen, Y, Zhang, Q, Bartlam, M. | | 登録日 | 2020-09-24 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
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7D53
 | | SpuA mutant - H221N with Glu | | 分子名称: | GLUTAMIC ACID, MAGNESIUM ION, Probable glutamine amidotransferase | | 著者 | Chen, Y, Zhang, Q, Bartlam, M. | | 登録日 | 2020-09-24 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
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7D50
 | | SpuA mutant - H221N with glutamyl-thioester | | 分子名称: | MAGNESIUM ION, Probable glutamine amidotransferase | | 著者 | Chen, Y, Zhang, Q, Bartlam, M. | | 登録日 | 2020-09-24 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
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8I0N
 | | Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C5a anaphylatoxin chemotactic receptor 1, C5aR1 (Local refine) | | 分子名称: | Beta-arrestin-1, C5a anaphylatoxin chemotactic receptor 1, Fab30 heavy chain, ... | | 著者 | Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K. | | 登録日 | 2023-01-11 | | 公開日 | 2023-05-17 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.26 Å) | | 主引用文献 | Structural snapshots uncover a key phosphorylation motif in GPCRs driving beta-arrestin activation.
Mol.Cell, 83, 2023
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6ESV
 | | Structure of the phosphate-bound form of AioX from Rhizobium sp. str. NT-26 | | 分子名称: | PHOSPHATE ION, Putative periplasmic phosphite-binding-like protein (Pbl) PtxB-like protein designated AioX | | 著者 | Djordjevic, S, Badilla, C, Cole, A, Santini, J. | | 登録日 | 2017-10-24 | | 公開日 | 2018-10-17 | | 最終更新日 | 2019-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | A new family of periplasmic-binding proteins that sense arsenic oxyanions.
Sci Rep, 8, 2018
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6F9R
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6F9U
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