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7EJV
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The co-crystal structure of DYRK2 with YK-2-69
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone
著者Li, Z, Xiao, Y, Yuan, K, Kuang, W, Xiuquan, Y, Yang, P.
登録日2021-04-02
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting dual-specificity tyrosine phosphorylation-regulated kinase 2 with a highly selective inhibitor for the treatment of prostate cancer.
Nat Commun, 13, 2022
7VUN
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BU of 7vun by Molmil
Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction
分子名称: (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid, Programmed cell death 1 ligand 1
著者Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B.
登録日2021-11-03
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents.
Acta Pharm Sin B, 12, 2022
7XE4
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BU of 7xe4 by Molmil
structure of a membrane-bound glycosyltransferase
分子名称: (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Hu, X.L, Yang, P, Zhang, M, Liu, X.T, Yu, H.J.
登録日2022-03-29
公開日2023-03-29
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural and mechanistic insights into fungal beta-1,3-glucan synthase FKS1.
Nature, 616, 2023
6KZ5
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BU of 6kz5 by Molmil
Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain
分子名称: Nuclear receptor subfamily 4 group A member 1, ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate
著者Hong, W, Chen, H, Wu, Q, Lin, T.
登録日2019-09-23
公開日2020-10-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (4.45 Å)
主引用文献Blocking PPAR gamma interaction facilitates Nur77 interdiction of fatty acid uptake and suppresses breast cancer progression.
Proc.Natl.Acad.Sci.USA, 117, 2020
7SN1
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BU of 7sn1 by Molmil
Structure of human SARS-CoV-2 neutralizing antibody C1C-A3 Fab
分子名称: neutralizing antibody C1C-A3 Fab heavy chain, neutralizing antibody C1C-A3 Fab light chain
著者Pan, J, Abraham, J, Clark, S.
登録日2021-10-27
公開日2021-12-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.467 Å)
主引用文献Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
7SN3
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Structure of human SARS-CoV-2 spike glycoprotein trimer bound by neutralizing antibody C1C-A3 Fab (variable region)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pan, J, Abraham, J, Shankar, S.
登録日2021-10-27
公開日2021-12-08
最終更新日2022-02-02
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
5D9Y
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Crystal structure of TET2-5fC complex
分子名称: DNA (5'-D(*AP*CP*TP*GP*TP*(5FC)P*GP*AP*AP*GP*CP*T)-3'), DNA (5'-D(*AP*GP*CP*TP*TP*CP*GP*AP*CP*AP*GP*T)-3'), FE (III) ION, ...
著者Hu, L, Cheng, J, Rao, Q, Li, Z, Li, J, Xu, Y.
登録日2015-08-19
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.971 Å)
主引用文献Structural insight into substrate preference for TET-mediated oxidation.
Nature, 527, 2015
5DEU
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Crystal structure of TET2-5hmC complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DNA (5'-D(*AP*CP*CP*AP*CP*(5HC)P*GP*GP*TP*GP*GP*T)-3'), ...
著者Hu, L, Cheng, J, Rao, Q, Li, Z, Li, J, Xu, Y.
登録日2015-08-26
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structural insight into substrate preference for TET-mediated oxidation.
Nature, 527, 2015
7D39
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FLR-apo
分子名称: Cd1, FLAVIN MONONUCLEOTIDE
著者Hong, S, Yang, G.H, Zhang, P.
登録日2020-09-18
公開日2021-03-03
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
7D38
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flavone reductase
分子名称: Cd1, FLAVIN MONONUCLEOTIDE, chrysin
著者Hong, S, Yang, G.H, Zhang, P.
登録日2020-09-18
公開日2021-03-03
実験手法X-RAY DIFFRACTION (2.649 Å)
主引用文献Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
7D3B
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BU of 7d3b by Molmil
flavone reductase
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Cd1, FLAVIN MONONUCLEOTIDE
著者Hong, S, Yang, G.H, Zhang, P.
登録日2020-09-18
公開日2021-03-03
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
7D3A
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BU of 7d3a by Molmil
flavone reductase
分子名称: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Cd1, FLAVIN MONONUCLEOTIDE
著者Hong, S, Yang, G.H, Zhang, P.
登録日2020-09-18
公開日2021-03-03
最終更新日2021-09-29
実験手法X-RAY DIFFRACTION (2.552 Å)
主引用文献Discovery of an ene-reductase for initiating flavone and flavonol catabolism in gut bacteria.
Nat Commun, 12, 2021
8I0C
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BU of 8i0c by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703
分子名称: 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Jiang, J, He, S, Liu, Y, Fang, P, Sun, H.
登録日2023-01-10
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
7WG6
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BU of 7wg6 by Molmil
Neutral 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, Wang, X.
登録日2021-12-28
公開日2022-05-18
最終更新日2022-07-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron.
Cell, 185, 2022
7SN0
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BU of 7sn0 by Molmil
Crystal structure of spike protein receptor binding domain of escape mutant SARS-CoV-2 from immunocompromised patient (d146*) in complex with human receptor ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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Pan, J, Abraham, J, Clark, S.
登録日2021-10-27
公開日2021-12-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
7WG9
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BU of 7wg9 by Molmil
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
7WG7
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BU of 7wg7 by Molmil
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
7WGC
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BU of 7wgc by Molmil
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
7WGB
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BU of 7wgb by Molmil
Neutral Omicron Spike Trimer in complex with 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, Processed angiotensin-converting enzyme 2, ...
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
7WG8
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BU of 7wg8 by Molmil
Delta Spike Trimer(3 RBD Down)
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 (3.9 Å)
主引用文献Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron.
Cell, 185, 2022
2E2F
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BU of 2e2f by Molmil
Solution structure of DSP
分子名称: Diapausin
著者Kouno, T, Mizuguchi, M, Suzuki, K, Kawano, K.
登録日2006-11-12
公開日2007-11-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The structure of a novel insect peptide explains its Ca2+ channel blocking and antifungal activities
Biochemistry, 46, 2007
5TRL
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BU of 5trl by Molmil
Crystal structure of human GCN5 histone acetyltransferase domain
分子名称: Histone acetyltransferase KAT2A, SUCCINYL-COENZYME A
著者Guo, Y.R, Tao, Y.J.
登録日2016-10-26
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献KAT2A coupled with the alpha-KGDH complex acts as a histone H3 succinyltransferase.
Nature, 552, 2017
5V3M
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mouseZFP568-ZnF1-11 in complex with DNA
分子名称: DNA (28-MER), ZINC ION, Zinc finger protein 568
著者Patel, A, Cheng, X.
登録日2017-03-07
公開日2018-03-07
最終更新日2019-09-18
実験手法X-RAY DIFFRACTION (2.091 Å)
主引用文献DNA Conformation Induces Adaptable Binding by Tandem Zinc Finger Proteins.
Cell, 173, 2018
5V3J
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BU of 5v3j by Molmil
mouseZFP568-ZnF1-10 in complex with DNA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (26-MER), MAGNESIUM ION, ...
著者Patel, A, Cheng, X.
登録日2017-03-07
公開日2018-03-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.064 Å)
主引用文献DNA Conformation Induces Adaptable Binding by Tandem Zinc Finger Proteins.
Cell, 173, 2018
4DNW
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BU of 4dnw by Molmil
Crystal structure of UVB-resistance protein UVR8
分子名称: AT5g63860/MGI19_6
著者Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Wang, J, Shi, Y.
登録日2012-02-09
公開日2012-03-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.773 Å)
主引用文献Structural basis of ultraviolet-B perception by UVR8.
Nature, 484, 2012

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