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6OX0
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BU of 6ox0 by Molmil
SETD3 in Complex with an Actin Peptide with Sinefungin Replacing SAH as Cofactor
分子名称: 1,2-ETHANEDIOL, Actin Peptide, Histone-lysine N-methyltransferase setd3, ...
著者Horton, J.R, Dai, S, Cheng, X.
登録日2019-05-13
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
6OX3
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BU of 6ox3 by Molmil
SETD3 in Complex with an Actin Peptide with His73 Replaced with Lysine
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Actin Peptide, ...
著者Horton, J.R, Dai, S, Cheng, X.
登録日2019-05-13
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.785 Å)
主引用文献Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
6OX5
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BU of 6ox5 by Molmil
A SETD3 Mutant (N255A) in Complex with an Actin Peptide with His73 Replaced with Lysine
分子名称: 1,2-ETHANEDIOL, Actin Peptide, Actin-histidine N-methyltransferase, ...
著者Horton, J.R, Dai, S, Cheng, X.
登録日2019-05-13
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.098 Å)
主引用文献Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
6OX2
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BU of 6ox2 by Molmil
SETD3in Complex with an Actin Peptide with the Target Histidine Fully Methylated
分子名称: 1,2-ETHANEDIOL, Actin Peptide, GLYCEROL, ...
著者Horton, J.R, Dai, S, Cheng, X.
登録日2019-05-13
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
8ISC
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BU of 8isc by Molmil
Crystal structure of MV in complex with LLP
分子名称: Branched chain amino acid: 2-keto-4-methylthiobutyrate aminotransferase
著者Li, Q, Zhu, Y.M, Gao, J, Wei, H.L, Han, X, Liu, W.D, Sun, Y.X.
登録日2023-03-20
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal structure of MV in complex with LLP
To Be Published
8IOZ
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BU of 8ioz by Molmil
Crystal structure of transaminase
分子名称: Branched chain amino acid: 2-keto-4-methylthiobutyrate aminotransferase
著者Li, Q, Zhu, Y.M, Gao, J, Wei, H.L, Han, X, Liu, W.D, Sun, Y.X.
登録日2023-03-13
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献structure of aminotransferase
To Be Published
5U6I
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BU of 5u6i by Molmil
Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity
分子名称: 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION
著者Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W.
登録日2016-12-08
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity.
J. Med. Chem., 60, 2017
7QXI
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BU of 7qxi by Molmil
Cryo-EM structure of RNA polymerase-sigma54 holo enzyme with promoter DNA closed complex
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Ye, F.Z, Zhang, X.D.
登録日2022-01-26
公開日2022-11-09
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Mechanisms of DNA opening revealed in AAA+ transcription complex structures.
Sci Adv, 8, 2022
7QV9
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BU of 7qv9 by Molmil
CryoEM structure of bacterial transcription intermediate complex mediated by activator PspF
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, DNA-directed RNA polymerase subunit alpha, ...
著者Ye, F.Z, Zhang, X.D.
登録日2022-01-20
公開日2022-11-09
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Mechanisms of DNA opening revealed in AAA+ transcription complex structures.
Sci Adv, 8, 2022
7XA2
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BU of 7xa2 by Molmil
Thermotoga maritima ferritin variant-Tm-E(S111H)
分子名称: FE (III) ION, Ferritin
著者Liu, Y, Zhao, G.
登録日2022-03-16
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Directed Self-Assembly of Dimeric Building Blocks into Networklike Protein Origami to Construct Hydrogels.
Acs Nano, 16, 2022
7X9X
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BU of 7x9x by Molmil
Thermotoga Maritima ferritin variant-Tm-E(G40E) with Zn
分子名称: FE (III) ION, Ferritin, ZINC ION
著者Liu, Y, Zhao, G.
登録日2022-03-16
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Directed Self-Assembly of Dimeric Building Blocks into Networklike Protein Origami to Construct Hydrogels.
Acs Nano, 16, 2022
7XA4
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BU of 7xa4 by Molmil
Thermotoga maritima ferritin variant-Tm-E (S111H) with Zn
分子名称: Ferritin, ZINC ION
著者Liu, Y, Zhao, G.
登録日2022-03-17
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Directed Self-Assembly of Dimeric Building Blocks into Networklike Protein Origami to Construct Hydrogels.
Acs Nano, 16, 2022
7QWP
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BU of 7qwp by Molmil
CryoEM structure of bacterial transcription close complex (RPc)
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Ye, F.Z, Zhang, X.D.
登録日2022-01-25
公開日2022-11-09
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Mechanisms of DNA opening revealed in AAA+ transcription complex structures.
Sci Adv, 8, 2022
6JNY
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BU of 6jny by Molmil
Crystal structure of bacteriophage 21 Q protein
分子名称: Antiterminator Q protein
著者Feng, Y, Shi, J.
登録日2019-03-18
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Structural basis of Q-dependent transcription antitermination.
Nat Commun, 10, 2019
5C9C
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BU of 5c9c by Molmil
CRYSTAL STRUCTURE OF BRAF(V600E) IN COMPLEX WITH LY3009120 COMPND
分子名称: 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea, CHLORIDE ION, Serine/threonine-protein kinase B-raf
著者Edwards, T, Abendroth, J, Chun, L.
登録日2015-06-26
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Inhibition of RAF Isoforms and Active Dimers by LY3009120 Leads to Anti-tumor Activities in RAS or BRAF Mutant Cancers.
Cancer Cell, 28, 2015
7RNV
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BU of 7rnv by Molmil
SH2 domain of guanine nucleotide exchange factor Vav2 in complex with an actin peptide with phosphorylated tyrosine 53
分子名称: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
著者Dai, S, Horton, J.R, Cheng, X.
登録日2021-07-29
公開日2021-08-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin
To Be Published
7RNS
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BU of 7rns by Molmil
nSH2 domain of p85-alpha subunit of phosphatidylinositol 3-kinase in complex with an actin peptide with phosphorylated tyrosine 53
分子名称: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
著者Dai, S, Horton, J.R, Cheng, X.
登録日2021-07-29
公開日2021-08-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin
To Be Published
7RN0
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BU of 7rn0 by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-57-3R
分子名称: (2R)-2-{acetyl[4-(1H-pyrrol-1-yl)phenyl]amino}-N-[(1S)-1-phenylethyl]-2-(pyridin-3-yl)acetamide, 3C-like proteinase, GLYCEROL
著者Sacco, M, Chen, Y.
登録日2021-07-28
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
7RNU
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BU of 7rnu by Molmil
nSH2 domain of p85-beta subunit of phosphatidylinositol 3-kinase in complex with an actin peptide with phosphorylated tyrosine 53
分子名称: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
著者Dai, S, Horton, J.R, Cheng, X.
登録日2021-07-29
公開日2021-08-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Functional Analysis of a Major Tyrosine Phosphorylation Site on Actin
To Be Published
7RN1
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BU of 7rn1 by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-62-2R
分子名称: 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide, ...
著者Sacco, M, Chen, Y.
登録日2021-07-28
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
6XFN
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BU of 6xfn by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW243
分子名称: 3C-like proteinase, GLYCEROL, UAW243
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-06-15
公開日2020-06-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
6XBI
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BU of 6xbi by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-06-06
公開日2020-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
6XA4
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BU of 6xa4 by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW241
分子名称: 3C-like proteinase, GLYCEROL, inhibitor UAW241
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-06-03
公開日2020-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
Sci Adv, 6, 2020
7A3O
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BU of 7a3o by Molmil
Crystal structure of dengue 1 virus envelope glycoprotein in complex with the scFv fragment of the broadly neutralizing human antibody EDE1 C10
分子名称: Core protein, GLYCEROL, SULFATE ION, ...
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
7A3R
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BU of 7a3r by Molmil
Crystal structure of dengue 1 virus envelope glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Core protein, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021

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