8S9N
 
 | | DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - C2 crystal form | | 分子名称: | 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN | | 著者 | Zhou, J, Horton, J.R, Cheng, X. | | 登録日 | 2023-03-29 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
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8S9O
 | | DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - P1 crystal form | | 分子名称: | 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN | | 著者 | Zhou, J, Horton, J.R, Cheng, X. | | 登録日 | 2023-03-29 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
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5JHG
 | | Crystal structure of the complex between the human RhoA and the DH/PH domain of human ARHGEF11 | | 分子名称: | GLYCEROL, Rho guanine nucleotide exchange factor 11, Transforming protein RhoA | | 著者 | Wang, R, Chen, Q, Zhang, H, Yan, Z, Li, J, Miao, L, Wang, F. | | 登録日 | 2016-04-21 | | 公開日 | 2017-04-26 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA bound with its inhibitor and ARHGEF11
To Be Published
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6IV9
 | | the Cas13d binary complex | | 分子名称: | Cas13d, MAGNESIUM ION, crRNA (50-MER) | | 著者 | Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y. | | 登録日 | 2018-12-02 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d.
Nat Commun, 10, 2019
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7YE9
 | | SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs | | 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, Heavy chain of R1-32 Fab, ... | | 著者 | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | | 登録日 | 2022-07-05 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-05-03 | | 実験手法 | ELECTRON MICROSCOPY (4.17 Å) | | 主引用文献 | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
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6IV8
 | | the selenomethionine(SeMet)-derived Cas13d binary complex | | 分子名称: | MAGNESIUM ION, RNA (51-MER), RNA (53-MER), ... | | 著者 | Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y. | | 登録日 | 2018-12-02 | | 公開日 | 2019-06-19 | | 最終更新日 | 2019-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d.
Nat Commun, 10, 2019
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7YEG
 | | SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs and 3 ACE2 | | 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, Angiotensin-converting enzyme 2, ... | | 著者 | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | | 登録日 | 2022-07-05 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-07-26 | | 実験手法 | ELECTRON MICROSCOPY (3.73 Å) | | 主引用文献 | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
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7YDY
 | | SARS-CoV-2 Spike (6P) in complex with 1 R1-32 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, Heavy chain of R1-32 Fab, ... | | 著者 | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | | 登録日 | 2022-07-04 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-07-26 | | 実験手法 | ELECTRON MICROSCOPY (4.75 Å) | | 主引用文献 | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
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7YDI
 | | SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs and 3 ACE2, focused refinement of RBD region | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32, Light chain of R1-32, ... | | 著者 | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | | 登録日 | 2022-07-04 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-07-26 | | 実験手法 | ELECTRON MICROSCOPY (3.98 Å) | | 主引用文献 | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
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7YE5
 | | SARS-CoV-2 Spike (6P) in complex with 2 R1-32 Fabs | | 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, Heavy chain of R1-32 Fab, ... | | 著者 | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | | 登録日 | 2022-07-05 | | 公開日 | 2022-08-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | ELECTRON MICROSCOPY (6.75 Å) | | 主引用文献 | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
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2N9X
 | | LC3 FUNDC1 complex structure | | 分子名称: | FUN14 domain-containing protein 1, Microtubule-associated proteins 1A/1B light chain 3B | | 著者 | Xia, B, Kuang, Y. | | 登録日 | 2015-12-14 | | 公開日 | 2016-12-14 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural basis for the phosphorylation of FUNDC1 LIR as a molecular switch of mitophagy.
Autophagy, 12, 2016
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4GPL
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6M6D
 | | Structure of HPPD complexed with a synthesized inhibitor | | 分子名称: | 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-trimethylsilylprop-2-ynyl)quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | 著者 | Lin, H.-Y, Yang, W.-C, Yang, G.-F. | | 登録日 | 2020-03-14 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.842 Å) | | 主引用文献 | Structure-Guided Discovery of Silicon-Containing Subnanomolar Inhibitor of Hydroxyphenylpyruvate Dioxygenase as a Potential Herbicide.
J.Agric.Food Chem., 69, 2021
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6B7H
 | | Structure of mGluR3 with an agonist | | 分子名称: | (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Monn, J.A, Clawson, D.K. | | 登録日 | 2017-10-04 | | 公開日 | 2018-04-25 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | | 主引用文献 | Synthesis and Pharmacological Characterization of C4beta-Amide-Substituted 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1 S,2 S,4 S,5 R,6 S)-2-Amino-4-[(3-methoxybenzoyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2794193), a Highly Potent and Selective mGlu3Receptor Agonist.
J. Med. Chem., 61, 2018
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6BNR
 | | Carbonmonoxy hemoglobin in complex with the antisickling agent 5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde (INN310) | | 分子名称: | 2-[(4-methoxy-2-methylphenoxy)methyl]pyridine, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | 著者 | Pagare, P.P, Musayev, F.N, Safo, M.K. | | 登録日 | 2017-11-17 | | 公開日 | 2018-09-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Rational design of pyridyl derivatives of vanillin for the treatment of sickle cell disease.
Bioorg. Med. Chem., 26, 2018
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6BWU
 | | Crystal structure of carboxyhemoglobin in complex with beta Cys93 modifying agent, TD3 | | 分子名称: | 1H-1,2,3-triazole-5-thiol, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | 著者 | Musayev, F.N, Safo, R.M, Safo, M.K. | | 登録日 | 2017-12-15 | | 公開日 | 2018-01-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A Triazole Disulfide Compound Increases the Affinity of Hemoglobin for Oxygen and Reduces the Sickling of Human Sickle Cells.
Mol. Pharm., 15, 2018
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6O5G
 | | Calmodulin in complex with isomalbrancheamide D | | 分子名称: | (5aS,12aS,13aS)-9-bromo-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7 ,6-b]carbazol-14-one, CALCIUM ION, Calmodulin-1, ... | | 著者 | Beyett, T.S, Fraley, A.E, Tesmer, J.J.G. | | 登録日 | 2019-03-02 | | 公開日 | 2019-08-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Perturbation of the interactions of calmodulin with GRK5 using a natural product chemical probe.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6BWP
 | | Crystal structure of Deoxy Hemoglobin in complex with beta Cys93 modifying agent, TD3 | | 分子名称: | 1H-1,2,3-triazole-5-thiol, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Musayev, F.N, Safo, R.M, Safo, M.K. | | 登録日 | 2017-12-15 | | 公開日 | 2018-01-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A Triazole Disulfide Compound Increases the Affinity of Hemoglobin for Oxygen and Reduces the Sickling of Human Sickle Cells.
Mol. Pharm., 15, 2018
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6DI4
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5GMO
 | | X-ray structure of carbonyl reductase SsCR | | 分子名称: | Protein induced by osmotic stress | | 著者 | Shang, Y.P, Yu, H.L, Xu, J.H. | | 登録日 | 2016-07-14 | | 公開日 | 2017-01-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.304 Å) | | 主引用文献 | Efficient Synthesis of (R)-2-Chloro-1-(2,4-dichlorophenyl)ethanol with a Ketoreductase from Scheffersomyces stipitis CBS 6045
Adv.Synth.Catal., 359, 2017
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8JP0
 | | structure of human sodium-calciumexchanger NCX1 | | 分子名称: | 2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline, Sodium/calcium exchanger 1 | | 著者 | Dong, Y, Zhao, Y. | | 登録日 | 2023-06-09 | | 公開日 | 2024-01-03 | | 最終更新日 | 2024-01-24 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structural insight into the allosteric inhibition of human sodium-calcium exchanger NCX1 by XIP and SEA0400.
Embo J., 43, 2024
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6J8R
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6J8Q
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5URC
 | | Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease | | 分子名称: | (5-formylfuran-2-yl)methyl acetate, 5-HYDROXYMETHYL-FURFURAL, CARBON MONOXIDE, ... | | 著者 | Pagare, P.P, Safo, R.S, Gazi, A. | | 登録日 | 2017-02-10 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of Ester and Ether Derivatives of Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease.
Mol. Pharm., 14, 2017
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6JN4
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