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9LO7
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BU of 9lo7 by Molmil
The crystal structure of PDE4D with 2317b
分子名称: 3',5'-cyclic-AMP phosphodiesterase 4D, MAGNESIUM ION, ZINC ION, ...
著者Huag, Y.-Y, Wu, D, Luo, H.-B.
登録日2025-01-22
公開日2025-03-26
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (2.20006251 Å)
主引用文献Structure-Based Optimization of Moracin M as Potent and Selective PDE4 Inhibitors with Antipsoriasis Effects.
J.Med.Chem., 68, 2025
5KCJ
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BU of 5kcj by Molmil
Structure of the human GluN1/GluN2A LBD in complex with GNE6901
分子名称: 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one, ACETATE ION, GLUTAMIC ACID, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2016-06-06
公開日2016-07-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function.
Neuron, 89, 2016
5L1Z
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BU of 5l1z by Molmil
TAR complex with HIV-1 Tat-AFF4-P-TEFb
分子名称: AF4/FMR2 family member 4, Cyclin-T1, Cyclin-dependent kinase 9, ...
著者Schulze-Gahmen, U, Hurley, J.
登録日2016-07-29
公開日2016-10-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (5.9 Å)
主引用文献Insights into HIV-1 proviral transcription from integrative structure and dynamics of the Tat:AFF4:P-TEFb:TAR complex.
Elife, 5, 2016
3J98
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BU of 3j98 by Molmil
Structure of 20S supercomplex determined by single particle cryoelectron microscopy (State IIIa)
分子名称: Alpha-soluble NSF attachment protein, Synaptosomal-associated protein 25, Syntaxin-1A, ...
著者Zhao, M, Wu, S, Cheng, Y, Brunger, A.T.
登録日2014-12-05
公開日2015-01-28
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (8.4 Å)
主引用文献Mechanistic insights into the recycling machine of the SNARE complex.
Nature, 518, 2015
3J97
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BU of 3j97 by Molmil
Structure of 20S supercomplex determined by single particle cryoelectron microscopy (State II)
分子名称: Alpha-soluble NSF attachment protein, Synaptosomal-associated protein 25, Syntaxin-1A, ...
著者Zhao, M, Wu, S, Cheng, Y, Brunger, A.T.
登録日2014-12-05
公開日2015-01-28
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献Mechanistic insights into the recycling machine of the SNARE complex.
Nature, 518, 2015
9LSM
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BU of 9lsm by Molmil
The crystal structure of PDE5A with L9
分子名称: 1-[(13~{S},15~{R})-4-bromanyl-15-(3-chloranyl-4-methoxy-phenyl)-8,12,16-triazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8-pentaen-12-yl]ethanone, MAGNESIUM ION, SULFATE ION, ...
著者Wu, D, Huang, Y.-Y, Luo, H.-B.
登録日2025-02-04
公開日2025-06-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Plasma metabolites-based drug design: Discovery of novel and highly selective phosphodiesterase 5 inhibitors
Chin.Chem.Lett., 2025
9LSL
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BU of 9lsl by Molmil
The crystal structure of PDE5A with L1
分子名称: (13~{S},15~{R})-15-(3-chloranyl-4-methoxy-phenyl)-12-ethanoyl-8,12,16-triazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8-pentaene-4-carbonitrile, MAGNESIUM ION, ZINC ION, ...
著者Wu, D, Huang, Y.-Y, Luo, H.-B.
登録日2025-02-04
公開日2025-06-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Plasma metabolites-based drug design: Discovery of novel and highly selective phosphodiesterase 5 inhibitors
Chin.Chem.Lett., 2025
6M6X
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BU of 6m6x by Molmil
Oridonin in complex with CRM1#-Ran-RanBP1
分子名称: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Sun, Q, Lei, Y.
登録日2020-03-16
公開日2021-03-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
J.Nat.Prod., 84, 2021
6M60
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BU of 6m60 by Molmil
Plumbagin in complex with CRM1#-Ran-RanBP1
分子名称: (2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Sun, Q, Lei, Y.
登録日2020-03-12
公開日2021-06-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
J.Nat.Prod., 84, 2021
6MEV
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BU of 6mev by Molmil
Structure of JMJD6 bound to Mono-Methyl Arginine.
分子名称: (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, ...
著者Lee, S, Zhang, G.
登録日2018-09-07
公開日2019-09-18
最終更新日2025-04-02
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献JMJD6 cleaves MePCE to release positive transcription elongation factor b (P-TEFb) in higher eukaryotes.
Elife, 9, 2020
9L5T
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BU of 9l5t by Molmil
Cryo-EM structure of the thermophile spliceosome (state B*Q2)
分子名称: Anaphase-promoting complex subunit 4-like WD40 domain-containing protein, CCDC12, Delta(14)-sterol reductase, ...
著者Li, Y, Fischer, P, Wang, M, Yuan, R, Meng, W, Luehrmann, R, Lau, B, Hurt, E, Cheng, J.
登録日2024-12-23
公開日2025-03-12
最終更新日2025-04-16
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into spliceosome fidelity: DHX35-GPATCH1- mediated rejection of aberrant splicing substrates.
Cell Res., 35, 2025
9L5S
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BU of 9l5s by Molmil
Cryo-EM structure of the thermophile spliceosome (state B*Q1)
分子名称: Anaphase-promoting complex subunit 4-like WD40 domain-containing protein, CCDC12, Delta(14)-sterol reductase, ...
著者Li, Y, Fischer, P, Wang, M, Yuan, R, Meng, W, Luehrmann, R, Lau, B, Hurt, E, Cheng, J.
登録日2024-12-23
公開日2025-03-12
最終更新日2025-04-16
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural insights into spliceosome fidelity: DHX35-GPATCH1- mediated rejection of aberrant splicing substrates.
Cell Res., 35, 2025
9L5R
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BU of 9l5r by Molmil
Cryo-EM structure of the thermophile spliceosome (state ILS)
分子名称: Anaphase-promoting complex subunit 4-like WD40 domain-containing protein, CCDC12, Cell cycle control protein, ...
著者Li, Y, Fischer, P, Wang, M, Yuan, R, Meng, W, Luehrmann, R, Lau, B, Hurt, E, Cheng, J.
登録日2024-12-23
公開日2025-03-12
最終更新日2025-04-16
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural insights into spliceosome fidelity: DHX35-GPATCH1- mediated rejection of aberrant splicing substrates.
Cell Res., 35, 2025
3J99
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BU of 3j99 by Molmil
Structure of 20S supercomplex determined by single particle cryoelectron microscopy (State IIIb)
分子名称: Alpha-soluble NSF attachment protein, Synaptosomal-associated protein 25, Syntaxin-1A, ...
著者Zhao, M, Wu, S, Cheng, Y, Brunger, A.T.
登録日2014-12-05
公開日2015-01-28
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (8.2 Å)
主引用文献Mechanistic insights into the recycling machine of the SNARE complex.
Nature, 518, 2015
3J96
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BU of 3j96 by Molmil
Structure of 20S supercomplex determined by single particle cryoelectron microscopy (State I)
分子名称: Alpha-soluble NSF attachment protein, Synaptosomal-associated protein 25, Syntaxin-1A, ...
著者Zhao, M, Wu, S, Cheng, Y, Brunger, A.T.
登録日2014-12-05
公開日2015-01-28
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (7.6 Å)
主引用文献Mechanistic insights into the recycling machine of the SNARE complex.
Nature, 518, 2015
3J95
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BU of 3j95 by Molmil
Structure of ADP-bound N-ethylmaleimide sensitive factor determined by single particle cryoelectron microscopy
分子名称: ADENOSINE-5'-DIPHOSPHATE, Vesicle-fusing ATPase
著者Zhao, M, Wu, S, Cheng, Y, Brunger, A.T.
登録日2014-12-05
公開日2015-01-28
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (7.6 Å)
主引用文献Mechanistic insights into the recycling machine of the SNARE complex.
Nature, 518, 2015
3J94
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BU of 3j94 by Molmil
Structure of ATP-bound N-ethylmaleimide sensitive factor determined by single particle cryoelectron microscopy
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Vesicle-fusing ATPase
著者Zhao, M, Wu, S, Cheng, Y, Brunger, A.T.
登録日2014-12-05
公開日2015-01-28
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Mechanistic insights into the recycling machine of the SNARE complex.
Nature, 518, 2015
2GP4
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BU of 2gp4 by Molmil
Structure of [FeS]cluster-free Apo Form of 6-Phosphogluconate Dehydratase from Shewanella oneidensis
分子名称: 6-phosphogluconate dehydratase
著者Schormann, N, Symersky, J, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2006-04-16
公開日2006-05-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure of [FeS]cluster-free Apo Form of 6-Phosphogluconate Dehydratase from Shewanella oneidensis
To be Published
4GUS
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BU of 4gus by Molmil
Crystal structure of LSD2-NPAC with H3 in space group P3221
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Histone H3.3, ...
著者Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y.
登録日2012-08-29
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
4GUR
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BU of 4gur by Molmil
Crystal structure of LSD2-NPAC with H3 in space group P21
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Histone H3.3, ...
著者Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y.
登録日2012-08-29
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.506 Å)
主引用文献LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
4GUT
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BU of 4gut by Molmil
Crystal structure of LSD2-NPAC
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1B, ...
著者Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y.
登録日2012-08-29
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
8ZUB
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BU of 8zub by Molmil
The Crystal structure of mol075 bound to the main protease (3CLpro/Mpro) of SARS-CoV-2
分子名称: 3C-like proteinase, 6-[(6-chloranyl-2-pentyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione
著者Yan, M, Zhang, H.
登録日2024-06-08
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of pyrimidone derivatives as nonpeptidic and noncovalent 3-chymotrypsin-like protease (3CL pro ) inhibitors with anti-coronavirus activities.
Bioorg.Chem., 154, 2025
8ZUC
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BU of 8zuc by Molmil
The Crystal structure of mol080 bound to the main protease (3CLpro/Mpro) of SARS-CoV-2
分子名称: 3C-like proteinase, 6-[[6-chloranyl-2-(3-methylbutyl)indazol-5-yl]amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione
著者Yan, M, Zhang, H.
登録日2024-06-08
公開日2025-06-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Development of pyrimidone derivatives as nonpeptidic and noncovalent 3-chymotrypsin-like protease (3CL pro ) inhibitors with anti-coronavirus activities.
Bioorg.Chem., 154, 2025
8ZT9
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BU of 8zt9 by Molmil
The Crystal structure of mol066 bound to the main protease (3CLpro/Mpro) of SARS-CoV-2
分子名称: 3C-like proteinase, 6-[(6-chloranyl-2-propan-2-yl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]pyrimidine-2,4-dione, GLYCEROL
著者Yan, M, Zhang, H.
登録日2024-06-06
公開日2025-06-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of pyrimidone derivatives as nonpeptidic and noncovalent 3-chymotrypsin-like protease (3CL pro ) inhibitors with anti-coronavirus activities.
Bioorg.Chem., 154, 2025
7FIN
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BU of 7fin by Molmil
Cryo-EM structure of the GIPR/GLP-1R/GCGR triagonist peptide 20-bound human GIPR-Gs complex
分子名称: CHOLESTEROL, GAMMA-L-GLUTAMIC ACID, Gastric inhibitory polypeptide receptor,human glucose-dependent insulinotropic polypeptide receptor, ...
著者Zhao, F.h, Zhou, Q.T, Cong, Z.T, Hang, K.N, Zou, X.Y, Zhang, C, Chen, Y, Dai, A.T, Liang, A.Y, Ming, Q.Q, Wang, M, Chen, L.N, Xu, P.Y, Chang, R.L, Feng, W.B, Xia, T, Zhang, Y, Wu, B.L, Yang, D.H, Zhao, L.H, Xu, H.E, Wang, M.W.
登録日2021-07-31
公開日2022-02-23
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into multiplexed pharmacological actions of tirzepatide and peptide 20 at the GIP, GLP-1 or glucagon receptors.
Nat Commun, 13, 2022

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件を2025-07-09に公開中

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