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6M19
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BU of 6m19 by Molmil
Template lasso peptide C24 mutant W14F
分子名称: lasso peptide
著者Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M.
登録日2020-02-25
公開日2021-03-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
2NDI
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BU of 2ndi by Molmil
Solution structure of the toxin ISTX-I from Ixodes scapularis
分子名称: Putative secreted salivary protein
著者Hu, K.
登録日2016-06-01
公開日2017-06-07
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A sodium channel inhibitor ISTX-I with a novel structure provides a new hint at the evolutionary link between two toxin folds.
Sci Rep, 6, 2016
6NAO
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BU of 6nao by Molmil
Discovery of a high affinity inhibitor of cGAS
分子名称: (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, CYCLIC GMP-AMP SYNTHASE, ZINC ION
著者Hall, J.
登録日2018-12-06
公開日2018-12-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay.
PLoS ONE, 12, 2017
8HLM
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BU of 8hlm by Molmil
Crystal structure of p53/BCL2 fusion complex (complex 2)
分子名称: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
著者Guo, M, Wang, H, Wei, H, Chen, Y.
登録日2022-11-30
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.522 Å)
主引用文献Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
8HLN
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BU of 8hln by Molmil
Crystal structure of p53/BCL2 fusion complex(complex3)
分子名称: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
著者Guo, M, Wei, H, Wang, H, Chen, Y.
登録日2022-11-30
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.354 Å)
主引用文献Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
8HLL
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BU of 8hll by Molmil
Crystal structure of p53/BCL2 fusion complex (complex 1)
分子名称: Apoptosis regulator Bcl-2, Cellular tumor antigen p53, ZINC ION
著者Wei, H, Guo, M, Wang, H, Chen, Y.
登録日2022-11-30
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structures of p53/BCL-2 complex suggest a mechanism for p53 to antagonize BCL-2 activity.
Nat Commun, 14, 2023
7YP2
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BU of 7yp2 by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 6H2 (localized refinement)
分子名称: 6H2 heavy chain, 6H2 light chain, Envelope glycoprotein H
著者Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
登録日2022-08-02
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
7YOY
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BU of 7yoy by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAbs 3E8 and 5E3 (localized refinement)
分子名称: 3E8 heavy chain, 3E8 light chain, 5E3 heavy chain, ...
著者Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
登録日2022-08-02
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
7YP1
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BU of 7yp1 by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 10E4 (localized refinement)
分子名称: 10E4 heavy chain, 10E4 light chain, EBV gH, ...
著者Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
登録日2022-08-02
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
3E3U
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BU of 3e3u by Molmil
Crystal structure of Mycobacterium tuberculosis peptide deformylase in complex with inhibitor
分子名称: N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide, NICKEL (II) ION, Peptide deformylase
著者Meng, W, Xu, M, Pan, S, Koehn, J.
登録日2008-08-08
公開日2009-01-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Peptide deformylase inhibitors of Mycobacterium tuberculosis: synthesis, structural investigations, and biological results.
Bioorg.Med.Chem.Lett., 18, 2008
5J8V
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BU of 5j8v by Molmil
Structure of rabbit ryanodine receptor RyR1 open state activated by calcium ion
分子名称: Ryanodine receptor 1
著者Wang, X, Wei, R, Yin, C, Sun, F.
登録日2016-04-08
公開日2016-09-14
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Structural insights into Ca(2+)-activated long-range allosteric channel gating of RyR1
Cell Res., 26, 2016
4YVU
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BU of 4yvu by Molmil
Crystal structure of CotA native enzyme in the acid condition, PH5.6
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ...
著者Liu, Z.C, Xie, T, Wang, G.G.
登録日2015-03-20
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of CotA laccase complexed with 2,2-azinobis-(3-ethylbenzothiazoline-6-sulfonate) at a novel binding site
Acta Crystallogr.,Sect.F, 72, 2016
6J5W
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BU of 6j5w by Molmil
Ligand-triggered allosteric ADP release primes a plant NLR complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Disease resistance RPP13-like protein 4, RKS1
著者Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J.
登録日2019-01-12
公開日2019-04-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Ligand-triggered allosteric ADP release primes a plant NLR complex.
Science, 364, 2019
4YVN
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BU of 4yvn by Molmil
Crystal structure of CotA laccase complexed with ABTS at a novel binding site
分子名称: 1,2-ETHANEDIOL, 3-ETHYL-2-[(2Z)-2-(3-ETHYL-6-SULFO-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)HYDRAZINO]-6-SULFO-3H-1,3-BENZOTHIAZOL-1-IUM, COPPER (II) ION, ...
著者Liu, Z.C, Xie, T, Wang, G.G.
登録日2015-03-20
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of CotA laccase complexed with 2,2-azinobis-(3-ethylbenzothiazoline-6-sulfonate) at a novel binding site
Acta Crystallogr.,Sect.F, 72, 2016
6J5T
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BU of 6j5t by Molmil
Reconstitution and structure of a plant NLR resistosome conferring immunity
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, ...
著者Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J.
登録日2019-01-12
公開日2019-03-20
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Reconstitution and structure of a plant NLR resistosome conferring immunity.
Science, 364, 2019
6J6I
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BU of 6j6i by Molmil
Reconstitution and structure of a plant NLR resistosome conferring immunity
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, ...
著者Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J.
登録日2019-01-15
公開日2019-03-20
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Reconstitution and structure of a plant NLR resistosome conferring immunity.
Science, 364, 2019
6J5U
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BU of 6j5u by Molmil
Ligand-triggered allosteric ADP release primes a plant NLR complex
分子名称: Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, Protein kinase superfamily protein, ...
著者Wang, J.Z, Wang, J, Meijuan, H, Wang, H.W, Zhou, J.M, Chai, J.J.
登録日2019-01-12
公開日2019-04-03
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Ligand-triggered allosteric ADP release primes a plant NLR complex.
Science, 364, 2019
3F9V
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BU of 3f9v by Molmil
Crystal Structure Of A Near Full-Length Archaeal MCM: Functional Insights For An AAA+ Hexameric Helicase
分子名称: Minichromosome maintenance protein MCM
著者Chen, X.J, Brewster, A.S, Wang, G.G, Yu, X, Greenleaf, W, Tjajadi, M, Klein, M.
登録日2008-11-14
公開日2008-12-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (4.35 Å)
主引用文献Crystal structure of a near-full-length archaeal MCM: Functional insights for an AAA+ hexameric helicase.
Proc.Natl.Acad.Sci.USA, 105, 2008
6J5V
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BU of 6j5v by Molmil
Ligand-triggered allosteric ADP release primes a plant NLR complex
分子名称: Disease resistance RPP13-like protein 4, Probable serine/threonine-protein kinase PBL2, Protein kinase superfamily protein, ...
著者Wang, J.Z, Wang, J, Hu, M.J, Wang, H.W, Zhou, J.M, Chai, J.J.
登録日2019-01-12
公開日2019-04-03
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (4.25 Å)
主引用文献Ligand-triggered allosteric ADP release primes a plant NLR complex.
Science, 364, 2019
8FKM
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BU of 8fkm by Molmil
Human Atg3 with deletions of residues 1 to 25 and 90 to 190
分子名称: Ubiquitin-like-conjugating enzyme ATG3
著者Ye, Y.S, Tian, F.
登録日2022-12-21
公開日2023-09-13
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Multifaceted membrane interactions of human Atg3 promote LC3-phosphatidylethanolamine conjugation during autophagy.
Nat Commun, 14, 2023
5HU0
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BU of 5hu0 by Molmil
BACE1 in complex with 4-(3-(furan-2-carboxamido)phenyl)-1-methyl-5-oxo-4-phenylimidazolidin-2-iminium
分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N-{3-[(2E,4R)-2-imino-1-methyl-5-oxo-4-phenylimidazolidin-4-yl]phenyl}furan-2-carboxamide
著者Orth, P.
登録日2016-01-27
公開日2016-11-09
最終更新日2017-01-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease.
J. Med. Chem., 59, 2016
5HTZ
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BU of 5htz by Molmil
BACE1 in complex with (S)-5-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-2,5-dimethyl-1,2,4-thiadiazinan-3-iminium 1,1-dioxide
分子名称: (3E,5S)-5-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide, Beta-secretase 1
著者Orth, P.
登録日2016-01-27
公開日2016-11-09
最終更新日2017-01-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease.
J. Med. Chem., 59, 2016
5HU1
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BACE1 in complex with (R)-N-(3-(3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl)-5-fluoropicolinamide
分子名称: Beta-secretase 1, N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
著者Orth, P.
登録日2016-01-27
公開日2016-11-09
最終更新日2017-01-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease.
J. Med. Chem., 59, 2016
5HMX
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Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 10
分子名称: 2,2'-(5-(thiophen-2-yl)-1,3-phenylene)diacetic acid, RNA-directed RNA polymerase NS5, ZINC ION
著者Noble, C.G.
登録日2016-01-17
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design
J.Med.Chem., 59, 2016
5HMZ
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BU of 5hmz by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 23
分子名称: 5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-N-(methylsulfonyl)benzamide, RNA-directed RNA polymerase NS5, ZINC ION
著者Noble, C.G.
登録日2016-01-17
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design
J.Med.Chem., 59, 2016

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