4NAD
 
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5XJN
 | | cytochrome P450 CREJ in complex with (4-ethylphenyl) dihydrogen phosphate | | 分子名称: | (4-ethylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Dong, S, Du, L, Li, S, Feng, Y. | | 登録日 | 2017-05-03 | | 公開日 | 2017-07-12 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5VT2
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5T45
 | | Chicken smooth muscle myosin motor domain co-crystallized with the specific CK-571 inhibitor, MgADP.BeFx form | | 分子名称: | 4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-O-(isoquinolin-3-ylcarbamoyl)-D-erythro-pentitol, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | | 著者 | Sirigu, S, Planelles-Herrero, V.J, Hartman, J, Houdusse, A. | | 登録日 | 2016-08-29 | | 公開日 | 2016-11-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Highly selective inhibition of myosin motors provides the basis of potential therapeutic application.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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7DET
 | | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | | 著者 | Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y. | | 登録日 | 2020-11-05 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
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5U2J
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8I21
 | | Cryo-EM structure of 6-subunit Smc5/6 arm region | | 分子名称: | E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, Structural maintenance of chromosomes protein 6 | | 著者 | Jun, Z, Qian, L, Xiang, Z, Tong, C, Zhaoning, W, Duo, J, Zhenguo, C, Lanfeng, W. | | 登録日 | 2023-01-13 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (6.02 Å) | | 主引用文献 | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
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3UTK
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4QVX
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8I4Z
 | | CalA3 with hydrolysis product | | 分子名称: | 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, Beta-ketoacyl-acyl-carrier-protein synthase I | | 著者 | Wang, J, Wang, Z. | | 登録日 | 2023-01-21 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.97 Å) | | 主引用文献 | C-N bond formation by a polyketide synthase.
Nat Commun, 14, 2023
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8I4Y
 | | CalA3 complex structure with amidation product | | 分子名称: | 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, 3-HYDROXYANTHRANILIC ACID, Beta-ketoacyl-acyl-carrier-protein synthase I | | 著者 | Wang, J, Wang, Z. | | 登録日 | 2023-01-21 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.84 Å) | | 主引用文献 | C-N bond formation by a polyketide synthase.
Nat Commun, 14, 2023
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8WB2
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7DEO
 | | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ... | | 著者 | Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y. | | 登録日 | 2020-11-04 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
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7DEU
 | | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | | 著者 | Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y. | | 登録日 | 2020-11-05 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
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8VW5
 | | Crystal structure of Cbl-b TKB bound to compound 2 | | 分子名称: | CALCIUM ION, E3 ubiquitin-protein ligase CBL-B, MAGNESIUM ION, ... | | 著者 | Yu, C, Murray, J, Hsu, P.L. | | 登録日 | 2024-01-31 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding.
Acs Med.Chem.Lett., 15, 2024
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8VW4
 | | Crystal structure of Cbl-b TKB bound to compound 26 | | 分子名称: | (7-methoxy-2-{2-[(1S,3S,4S)-3-(3-methoxy-2-methyl-5-nitrophenyl)-1-methyl-5-oxo-1,5-dihydroimidazo[1,5-a]pyridin-2(3H)-yl]-2-oxoethoxy}quinolin-8-yl)acetic acid, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase CBL-B, ... | | 著者 | Yu, C, Murray, J, Hsu, P.L. | | 登録日 | 2024-01-31 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding.
Acs Med.Chem.Lett., 15, 2024
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3WLW
 | | Molecular Architecture of the ErbB2 Extracellular Domain Homodimer | | 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, Antibody H Chain, ... | | 著者 | Hu, S, Lou, Z.Y, Guo, Y.J. | | 登録日 | 2013-11-15 | | 公開日 | 2015-05-27 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.088 Å) | | 主引用文献 | Molecular architecture of the ErbB2 extracellular domain homodimer.
Oncotarget, 6, 2015
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7WVZ
 | | CalA3_modular PKS_KS-AT-DH-KR | | 分子名称: | Beta-ketoacyl-acyl-carrier-protein synthase I | | 著者 | Wang, J, Wang, Z. | | 登録日 | 2022-02-12 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (3.38 Å) | | 主引用文献 | C-N bond formation by a polyketide synthase.
Nat Commun, 14, 2023
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7CMW
 | | Complex structure of PARP1 catalytic domain with pamiparib | | 分子名称: | (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one, GLYCEROL, Poly [ADP-ribose] polymerase 1 | | 著者 | Feng, Y.C, Peng, H, Hong, Y, Liu, Y. | | 登録日 | 2020-07-29 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development.
J.Med.Chem., 63, 2020
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6M89
 | | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with quercetin | | 分子名称: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase | | 著者 | Wang, H, Shears, S.B. | | 登録日 | 2018-08-21 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
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6M8D
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7AER
 | | Rebuilt and re-refined PDB entry 5yep: tri-AMPylated Shewanella oneidensis HEPN toxin in complex with MNT antitoxin | | 分子名称: | ADENOSINE MONOPHOSPHATE, Toxin-antitoxin system antidote Mnt family, Toxin-antitoxin system toxin HepN family | | 著者 | Tamulaitiene, G, Sasnauskas, G, Songailiene, I, Juozapaitis, J, Siksnys, V. | | 登録日 | 2020-09-18 | | 公開日 | 2020-12-30 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | HEPN-MNT Toxin-Antitoxin System: The HEPN Ribonuclease Is Neutralized by OligoAMPylation.
Mol.Cell, 80, 2020
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7WG7
 | | Acidic Omicron Spike Trimer | | 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, Spike glycoprotein, ... | | 著者 | Cui, Z. | | 登録日 | 2021-12-28 | | 公開日 | 2022-06-22 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron.
Cell, 185, 2022
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7WGC
 | | Neutral Omicron Spike Trimer in complex with ACE2. | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein | | 著者 | Cui, Z. | | 登録日 | 2021-12-28 | | 公開日 | 2022-06-22 | | 最終更新日 | 2022-07-13 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron.
Cell, 185, 2022
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7WG9
 | | Delta Spike Trimer(1 RBD Up) | | 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, Spike glycoprotein | | 著者 | Cui, Z. | | 登録日 | 2021-12-28 | | 公開日 | 2022-06-22 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron.
Cell, 185, 2022
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