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6G4J
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BU of 6g4j by Molmil
Structure of the protein kinase YabT from Bacillus subtilis in complex with an alphaREP crystallization helper
分子名称: Probable serine/threonine-protein kinase YabT, alphaREP bE8
著者Nessler, S, Cavagnino, A, Rabefiraisana, J.L.
登録日2018-03-27
公開日2019-01-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Structural Analysis of the Hanks-Type Protein Kinase YabT FromBacillus subtilisProvides New Insights in its DNA-Dependent Activation.
Front Microbiol, 9, 2018
7XPX
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BU of 7xpx by Molmil
Cryo-EM structure of the histone methyltransferase SET8 bound to H4K20Ecx-nucleosome
分子名称: DNA (145-MER), Histone H2A, Histone H2B 1.1, ...
著者Shi, L.X, Zhou, Z.
登録日2022-05-06
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis of nucleosomal H4K20 methylation by methyltransferase SET8.
Faseb J., 36, 2022
5HFM
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BU of 5hfm by Molmil
Gp41-targeting HIV-1 fusion inhibitors with hook-like Ile-Asp-Leu tail
分子名称: Envelope glycoprotein gp160,gp41 CHR region, TRIS(HYDROXYETHYL)AMINOMETHANE
著者Zhu, Y, Ye, S, Zhang, R.
登録日2016-01-07
公開日2017-01-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Rational improvement of gp41-targeting HIV-1 fusion inhibitors: an innovatively designed Ile-Asp-Leu tail with alternative conformations
Sci Rep, 6, 2016
5HFL
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BU of 5hfl by Molmil
Gp41-targeting HIV-1 fusion inhibitors with helical Ile-Asp-Leu tail
分子名称: Envelope glycoprotein,gp41 CHR region
著者Zhu, Y, Ye, S, Zhang, R.
登録日2016-01-07
公開日2017-01-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.294 Å)
主引用文献Rational improvement of gp41-targeting HIV-1 fusion inhibitors: an innovatively designed Ile-Asp-Leu tail with alternative conformations
Sci Rep, 6, 2016
5VGI
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BU of 5vgi by Molmil
Crystal Structure of KDM4 with the Small Molecule Inhibitor QC6352
分子名称: 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ...
著者Hosfield, D.J.
登録日2017-04-11
公開日2017-09-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.
ACS Med Chem Lett, 8, 2017
3UFK
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BU of 3ufk by Molmil
Crystal structure of UndA complexed with Iron Nitrilotriacetate
分子名称: CALCIUM ION, FE (III) ION, GLYCEROL, ...
著者Edwards, M.J, Clarke, T.A.
登録日2011-11-01
公開日2012-08-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Crystal Structure of the Extracellular 11-heme Cytochrome UndA Reveals a Conserved 10-heme Motif and Defined Binding Site for Soluble Iron Chelates.
Structure, 20, 2012
3CCB
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BU of 3ccb by Molmil
Crystal Structure of Human DPP4 in complex with a benzimidazole derivative
分子名称: 1-biphenyl-2-ylmethanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wallace, M.B, Skene, R.J.
登録日2008-02-25
公開日2008-10-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
8TQD
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BU of 8tqd by Molmil
NF-Kappa-B1 Bound with a Covalent Inhibitor
分子名称: 1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide, Nuclear factor NF-kappa-B p105 subunit
著者Hilbert, B.J.
登録日2023-08-07
公開日2024-04-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献DrugMap: A quantitative pan-cancer analysis of cysteine ligandability.
Cell, 187, 2024
8GW1
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BU of 8gw1 by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
分子名称: Helicase, MANGANESE (II) ION, Non-structural protein 7, ...
著者Yan, L, Rao, Z, Lou, Z.
登録日2022-09-16
公開日2023-10-25
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
6JZQ
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BU of 6jzq by Molmil
The crystal structure of acyl-acyl carrier protein (acyl-ACP) reductase (AAR)
分子名称: Long-chain acyl-[acyl-carrier-protein] reductase
著者Zhang, H.M, Li, M, Gao, Y.
登録日2019-05-03
公開日2020-04-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.798 Å)
主引用文献Structural insights into catalytic mechanism and product delivery of cyanobacterial acyl-acyl carrier protein reductase.
Nat Commun, 11, 2020
8GWO
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BU of 8gwo by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
分子名称: Helicase, Non-structural protein 7, Non-structural protein 8, ...
著者Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y.
登録日2022-09-17
公開日2022-11-30
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWI
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BU of 8gwi by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ...
著者Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y.
登録日2022-09-17
公開日2022-12-14
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWG
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BU of 8gwg by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ...
著者Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y.
登録日2022-09-17
公開日2022-12-14
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWN
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BU of 8gwn by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibitor of AT-527
分子名称: Helicase, Non-structural protein 7, Non-structural protein 8, ...
著者Yan, L.M, Huang, Y.C, Ge, J, Liu, Z.Y, Gao, Y, Rao, Z.H, Lou, Z.Y.
登録日2022-09-17
公開日2022-12-14
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWB
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BU of 8gwb by Molmil
SARS-CoV-2 E-RTC complex with RNA-nsp9
分子名称: Helicase, MANGANESE (II) ION, Non-structural protein 7, ...
著者Yan, L.M, Rao, Z.H, Lou, Z.Y.
登録日2022-09-16
公開日2022-12-07
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWE
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BU of 8gwe by Molmil
SARS-CoV-2 E-RTC complex with RNA-nsp9 and GMPPNP
分子名称: Helicase nsp13, MAGNESIUM ION, Non-structural protein 8, ...
著者Yan, L.M, Rao, Z.H, Lou, Z.Y.
登録日2022-09-16
公開日2023-01-11
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
8GWF
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BU of 8gwf by Molmil
A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analogue inhibitors
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Helicase, Non-structural protein 7, ...
著者Yan, L.Y, Huang, Y.C, Rao, Z.H, Lou, Z.Y.
登録日2022-09-17
公開日2023-01-11
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献A mechanism for SARS-CoV-2 RNA capping and its inhibition by nucleotide analog inhibitors.
Cell, 185, 2022
7U6R
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BU of 7u6r by Molmil
Cryo-EM structure of PDF-2180 Spike glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PDF-2180 Spike glycoprotein
著者Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-03-05
公開日2022-11-30
最終更新日2023-01-04
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Close relatives of MERS-CoV in bats use ACE2 as their functional receptors.
Nature, 612, 2022
4XXL
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BU of 4xxl by Molmil
Crystal structure of Class 1 cytochrome MtoD from Sideroxydans lithotrophicus ES-1
分子名称: Cytochrome c class I, HEME C
著者Beckwith, C.R, Edwards, M.J, Clarke, T.
登録日2015-01-30
公開日2015-04-15
最終更新日2019-01-23
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Characterization of MtoD from Sideroxydans lithotrophicus: a cytochrome c electron shuttle used in lithoautotrophic growth.
Front Microbiol, 6, 2015
5KBY
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BU of 5kby by Molmil
Crystal structure of dipeptidyl peptidase IV in complex with SYR-472
分子名称: 2-[[6-[(3~{R})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarboni trile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Skene, R.J, Jennings, A.J.
登録日2016-06-03
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Trelagliptin (SYR-472, Zafatek), Novel Once-Weekly Treatment for Type 2 Diabetes, Inhibits Dipeptidyl Peptidase-4 (DPP-4) via a Non-Covalent Mechanism.
Plos One, 11, 2016
6OTC
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BU of 6otc by Molmil
Synthetic Fab bound to Marburg virus VP35 interferon inhibitory domain
分子名称: CHLORIDE ION, GLYCEROL, Polymerase cofactor VP35, ...
著者Amatya, P, Chen, G, Borek, D, Sidhu, S.S, Leung, D.W.
登録日2019-05-02
公開日2019-06-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Inhibition of Marburg Virus RNA Synthesis by a Synthetic Anti-VP35 Antibody.
Acs Infect Dis., 5, 2019
6M4G
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BU of 6m4g by Molmil
Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2
分子名称: DNA (93-MER), Histone H2A-Bbd type 2/3, Histone H2B type 2-E, ...
著者Zhou, M, Dai, L.C, Li, C.M, Shi, L.X, Huang, Y, Guo, Z.Q.
登録日2020-03-06
公開日2020-09-23
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis of nucleosome dynamics modulation by histone variants H2A.B and H2A.Z.2.2.
Embo J., 40, 2021
6M4H
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BU of 6m4h by Molmil
Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2
分子名称: DNA (103-MER), Histone H2A-Bbd type 2/3, Histone H2B type 2-E, ...
著者Zhou, M, Dai, L.C, Li, C.M, Shi, L.X, Huang, Y, Guo, Z.Q.
登録日2020-03-07
公開日2020-09-23
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis of nucleosome dynamics modulation by histone variants H2A.B and H2A.Z.2.2.
Embo J., 40, 2021
6M4D
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BU of 6m4d by Molmil
Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2
分子名称: DNA (125-MER), Histone H2A.V, Histone H2B type 2-E, ...
著者Zhou, M, Dai, L.C, Li, C.M, Shi, L.X, Huang, Y, Guo, Z.Q.
登録日2020-03-06
公開日2020-09-23
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structural basis of nucleosome dynamics modulation by histone variants H2A.B and H2A.Z.2.2.
Embo J., 40, 2021
8TCF
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BU of 8tcf by Molmil
Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D.
登録日2023-06-30
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023

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