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7PG9
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BU of 7pg9 by Molmil
human 20S proteasome
分子名称: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
著者Xu, C, Cong, Y.
登録日2021-08-13
公開日2021-10-20
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献The 20S as a stand-alone proteasome in cells can degrade the ubiquitin tag.
Nat Commun, 12, 2021
7R5O
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BU of 7r5o by Molmil
1.58 A STRUCTURE OF HUMAN APOFERRITIN OBTAINED FROM TITAN KRIOS 2 AT eBIC, DLS UNDER COMMISSIONING SESSION CM26464-2
分子名称: Ferritin heavy chain, N-terminally processed, SODIUM ION
著者Clare, D.K.
登録日2022-02-11
公開日2022-06-22
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (1.6 Å)
主引用文献Application of super-resolution and correlative double sampling in cryo-electron microscopy.
Faraday Disc.Chem.Soc, 240, 2022
6P8Z
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BU of 6p8z by Molmil
Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor
分子名称: 2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-methyl-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide, CALCIUM ION, GTPase KRas, ...
著者Mohr, C.
登録日2019-06-08
公開日2019-08-28
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C.
Acs Med.Chem.Lett., 10, 2019
5XMA
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BU of 5xma by Molmil
Crystal structure of AsfvPolX in complex with DNA enzyme at P43212 space group
分子名称: DNA (36-MER), DNA/RNA (5'-D(*AP*CP*GP*AP*GP*AP*GP*AP*GP*AP*T)-R(P*G)-D(P*GP*GP*TP*GP*CP*GP*TP*TP*AP*CP*A)-3'), Repair DNA polymerase X
著者Liu, H.H, Gan, J.H.
登録日2017-05-13
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Crystal structure of an RNA-cleaving DNAzyme.
Nat Commun, 8, 2017
5XJZ
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BU of 5xjz by Molmil
Structure of DNA1-Ag complex
分子名称: DNA (5'-D(*GP*CP*AP*CP*GP*CP*GP*C)-3'), SILVER ION, SPERMINE
著者Liu, H.H, Gan, J.H.
登録日2017-05-04
公開日2017-12-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献A DNA Structure Containing AgI -Mediated G:G and C:C Base Pairs
Angew. Chem. Int. Ed. Engl., 56, 2017
5XM9
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BU of 5xm9 by Molmil
Crystal structure of AsfvPolX in complex with DNA enzyme.
分子名称: DNA (23-mer), DNA (36-MER), Repair DNA polymerase X
著者Liu, H.H, Gan, J.H.
登録日2017-05-13
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.053 Å)
主引用文献Crystal structure of an RNA-cleaving DNAzyme.
Nat Commun, 8, 2017
6P8W
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BU of 6p8w by Molmil
Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor.
分子名称: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Mohr, C.
登録日2019-06-08
公開日2019-08-28
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C.
Acs Med.Chem.Lett., 10, 2019
6R7D
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BU of 6r7d by Molmil
Crystal structure of LTC4S in complex with AZ13690257
分子名称: (1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, Leukotriene C4 synthase, ...
著者Kack, H, Ek, M.
登録日2019-03-28
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic Acid (AZD9898) as a New Treatment for Asthma.
J.Med.Chem., 62, 2019
7E1Q
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BU of 7e1q by Molmil
Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori
分子名称: 2-nitropropane dioxygenase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
著者Zhou, J.S, Zhang, L, Zhang, L.
登録日2021-02-03
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Nat Commun, 12, 2021
7E1R
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BU of 7e1r by Molmil
Crystal structure of Dehydrogenase/isomerase FabX from Helicobacter pylori in complex with holo-ACP
分子名称: 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ...
著者Zhou, J.S, Zhang, L, Zhang, L.
登録日2021-02-03
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.795 Å)
主引用文献Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Nat Commun, 12, 2021
7E1S
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BU of 7e1s by Molmil
Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori in complex with octanoyl-ACP
分子名称: 2-nitropropane dioxygenase, Acyl carrier protein,Acyl carrier protein, FLAVIN MONONUCLEOTIDE, ...
著者Zhou, J.S, Zhang, L, Zhang, L.
登録日2021-02-03
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Nat Commun, 12, 2021
6KCF
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BU of 6kcf by Molmil
Structure of Inosine 5'-monophosphate Dehydrogenase from Candidatus Liberibacter asiaticus str. psy62
分子名称: Inosine-5'-monophosphate dehydrogenase
著者Nan, J, Zhang, S.R, Jiang, L.
登録日2019-06-28
公開日2019-08-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Evaluation of Bronopol and Disulfiram as Potential Candidatus Liberibacter asiaticus Inosine 5'-Monophosphate Dehydrogenase Inhibitors by Using Molecular Docking and Enzyme Kinetic.
Molecules, 25, 2020
5U1F
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BU of 5u1f by Molmil
Initial contact of HIV-1 Env with CD4: Cryo-EM structure of BG505 DS-SOSIP trimer in complex with CD4 and antibody PGT145
分子名称: BG505 DS-SOSIP gp120, BG505 SOSIP gp41, PGT145 heavy chain, ...
著者Acharya, P, Kwong, P.D, Potter, C.S, Carragher, B.
登録日2016-11-28
公開日2017-02-22
最終更新日2018-10-03
実験手法ELECTRON MICROSCOPY (6.8 Å)
主引用文献Quaternary contact in the initial interaction of CD4 with the HIV-1 envelope trimer.
Nat. Struct. Mol. Biol., 24, 2017
4WHJ
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BU of 4whj by Molmil
Myxovirus Resistance Protein 2 (MxB)
分子名称: Interferon-induced GTP-binding protein Mx2
著者Xiong, Y, Fribourgh, J.L, Nguyen, H.C.
登録日2014-09-22
公開日2014-10-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural Insight into HIV-1 Restriction by MxB.
Cell Host Microbe, 16, 2014
8BCM
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BU of 8bcm by Molmil
Structure of Synechococcus elongatus PCC 7942 Rubisco recombinantly expressed from E.coli
分子名称: Ribulose 1,5-bisphosphate carboxylase small subunit, Ribulose bisphosphate carboxylase large chain
著者Ni, T, Sun, Y, Liu, L.N, Zhang, P.
登録日2022-10-17
公開日2023-11-01
実験手法ELECTRON MICROSCOPY (2.15 Å)
主引用文献Structure of Rubisco
To Be Published
6VA1
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BU of 6va1 by Molmil
Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element
分子名称: RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
著者Chen, J.L, Fountain, M.A, Disney, M.D.
登録日2019-12-16
公開日2020-05-20
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
6MD8
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BU of 6md8 by Molmil
Crystal structure of CTX-M-14 with compound 3
分子名称: 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Beta-lactamase CTX-M-14, DIMETHYL SULFOXIDE
著者Akhtar, A, Chen, Y.
登録日2018-09-04
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6MEY
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BU of 6mey by Molmil
Crystal structure of KPC-2 with compound 9
分子名称: (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, ACETATE ION, Carbapenem-hydrolyzing beta-lactamase KPC
著者Akhtar, A, Chen, Y.
登録日2018-09-07
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
7MJU
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BU of 7mju by Molmil
Crystal structure of human AF10 PZP bound to histone H3 tail
分子名称: Histone H3.1,Protein AF-10, ZINC ION
著者Klein, B.J, Kutateladze, T.G.
登録日2021-04-20
公開日2021-08-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The role of the PZP domain of AF10 in acute leukemia driven by AF10 translocations.
Nat Commun, 12, 2021
6XZU
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BU of 6xzu by Molmil
Complex of C-terminal domain of murine complement C3b with the hC3Nb3 nanobody
分子名称: Complement C3, nanobody hC3Nb1
著者Andersen, G.R, Pedersen, H.
登録日2020-02-05
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Complement C3-Specific Nanobody for Modulation of the Alternative Cascade Identifies the C-Terminal Domain of C3b as Functional in C5 Convertase Activity.
J Immunol., 205, 2020
6VA2
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BU of 6va2 by Molmil
Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MH5
分子名称: (2E,2'E)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1E)eth-1-yl-1-ylidene]}bis(N-methylhydrazine-1-carboximidamide), RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
著者Chen, J.L, Fountain, M.A, Disney, M.D.
登録日2019-12-16
公開日2020-05-20
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
6MDU
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BU of 6mdu by Molmil
Crystal structure of NDM-1 with compound 7
分子名称: 1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide, GLYCEROL, Metallo-beta-lactamase type 2, ...
著者Akhtar, A, Chen, Y.
登録日2018-09-05
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6VA3
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BU of 6va3 by Molmil
Solution Structure of the Tau pre-mRNA Exon 10 Splicing Regulatory Element Bound to MQC
分子名称: 4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide, RNA (5'-R(*CP*AP*CP*AP*CP*GP*UP*CP*GP*G)-3'), RNA (5'-R(*CP*CP*GP*GP*CP*AP*GP*UP*GP*UP*G)-3')
著者Chen, J.L, Fountain, M.A, Disney, M.D.
登録日2019-12-16
公開日2020-05-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Design, Optimization, and Study of Small Molecules That Target Tau Pre-mRNA and Affect Splicing.
J.Am.Chem.Soc., 142, 2020
6MIA
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BU of 6mia by Molmil
Crystal structure of CTX-M-14 with compound 6
分子名称: 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase
著者Akhtar, A, Chen, Y.
登録日2018-09-19
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
6M7I
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BU of 6m7i by Molmil
Crystal structure of KPC-2 with compound 3
分子名称: 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL
著者Akhtar, A, Chen, Y.
登録日2018-08-20
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019

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