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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
Descriptor: 1,2-ETHANEDIOL, Actin Peptide, Histone-lysine N-methyltransferase setd3, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.755 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Actin Peptide, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.785 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Actin Peptide, Actin-histidine N-methyltransferase, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.098 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Actin Peptide, GLYCEROL, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.089 Å)
Cite: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
Descriptor: Branched chain amino acid: 2-keto-4-methylthiobutyrate aminotransferase
Authors:Li, Q, Zhu, Y.M, Gao, J, Wei, H.L, Han, X, Liu, W.D, Sun, Y.X.
Deposit date:2023-03-20
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite: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
Descriptor: Branched chain amino acid: 2-keto-4-methylthiobutyrate aminotransferase
Authors:Li, Q, Zhu, Y.M, Gao, J, Wei, H.L, Han, X, Liu, W.D, Sun, Y.X.
Deposit date:2023-03-13
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.33 Å)
Cite: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
Descriptor: 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION
Authors: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.
Deposit date:2016-12-08
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.69 Å)
Cite: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
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Ye, F.Z, Zhang, X.D.
Deposit date:2022-01-26
Release date:2022-11-09
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, DNA-directed RNA polymerase subunit alpha, ...
Authors:Ye, F.Z, Zhang, X.D.
Deposit date:2022-01-20
Release date:2022-11-09
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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)
Descriptor: FE (III) ION, Ferritin
Authors:Liu, Y, Zhao, G.
Deposit date:2022-03-16
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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
Descriptor: FE (III) ION, Ferritin, ZINC ION
Authors:Liu, Y, Zhao, G.
Deposit date:2022-03-16
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Ferritin, ZINC ION
Authors:Liu, Y, Zhao, G.
Deposit date:2022-03-17
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.96 Å)
Cite: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)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Ye, F.Z, Zhang, X.D.
Deposit date:2022-01-25
Release date:2022-11-09
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: Antiterminator Q protein
Authors:Feng, Y, Shi, J.
Deposit date:2019-03-18
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.451 Å)
Cite: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
Descriptor: 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
Authors:Edwards, T, Abendroth, J, Chun, L.
Deposit date:2015-06-26
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
Authors:Dai, S, Horton, J.R, Cheng, X.
Deposit date:2021-07-29
Release date:2021-08-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
Authors:Dai, S, Horton, J.R, Cheng, X.
Deposit date:2021-07-29
Release date:2021-08-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.14 Å)
Cite: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
Descriptor: (2R)-2-{acetyl[4-(1H-pyrrol-1-yl)phenyl]amino}-N-[(1S)-1-phenylethyl]-2-(pyridin-3-yl)acetamide, 3C-like proteinase, GLYCEROL
Authors:Sacco, M, Chen, Y.
Deposit date:2021-07-28
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
Authors:Dai, S, Horton, J.R, Cheng, X.
Deposit date:2021-07-29
Release date:2021-08-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: 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, ...
Authors:Sacco, M, Chen, Y.
Deposit date:2021-07-28
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 3C-like proteinase, GLYCEROL, UAW243
Authors:Sacco, M, Ma, C, Wang, J, Chen, Y.
Deposit date:2020-06-15
Release date:2020-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Sacco, M, Ma, C, Wang, J, Chen, Y.
Deposit date:2020-06-06
Release date:2020-06-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 3C-like proteinase, GLYCEROL, inhibitor UAW241
Authors:Sacco, M, Ma, C, Wang, J, Chen, Y.
Deposit date:2020-06-03
Release date:2020-06-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: Core protein, GLYCEROL, SULFATE ION, ...
Authors:Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
Deposit date:2020-08-18
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Core protein, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
Deposit date:2020-08-18
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021

221716

数据于2024-06-26公开中

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