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8F5L
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BU of 8f5l by Molmil
Azurin from Pseudomonas aeruginosa, Y72F/Y108F/F110L mutant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION
著者Zeug, M, Offenbacher, A.R, Choe, J.
登録日2022-11-14
公開日2023-01-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Electrochemical and Structural Study of the Buried Tryptophan in Azurin: Effects of Hydration and Polarity on the Redox Potential of W48.
J.Phys.Chem.B, 127, 2023
1YRV
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BU of 1yrv by Molmil
Novel Ubiquitin-Conjugating Enzyme
分子名称: ubiquitin-conjugating ligase MGC351130
著者Walker, J.R, Choe, J, Avvakumov, G.V, Newman, E.M, MacKenzie, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2005-02-04
公開日2005-03-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
7THM
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BU of 7thm by Molmil
SARS-CoV-2 nsp12/7/8 complex with a native N-terminus nsp9
分子名称: MANGANESE (II) ION, Non-structural protein 7, Non-structural protein 8, ...
著者Osinski, A, Tagliabracci, V.S, Chen, Z, Li, Y.
登録日2022-01-11
公開日2022-03-16
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献The mechanism of RNA capping by SARS-CoV-2.
Nature, 609, 2022
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
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
8B4U
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BU of 8b4u by Molmil
The crystal structure of PET46, a PETase enzyme from Candidatus bathyarchaeota
分子名称: 1,2-ETHANEDIOL, Alpha/beta hydrolase, CHLORIDE ION, ...
著者Costanzi, E, Applegate, V, Schumacher, J, Smits, S.H.J.
登録日2022-09-21
公開日2023-08-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献An archaeal lid-containing feruloyl esterase degrades polyethylene terephthalate.
Commun Chem, 6, 2023
7TYD
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BU of 7tyd by Molmil
Crystal structure of FGFR4 domain 3 in complex with a de novo-designed mini-binder in P21 space group
分子名称: Binder, Fibroblast growth factor receptor 4
著者Park, J.S, Lee, S.
登録日2022-02-12
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Isoform-specific inhibition of FGFR signaling achieved by a de-novo-designed mini-protein.
Cell Rep, 41, 2022
7ZTY
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BU of 7zty by Molmil
Structure of Vps39 N-terminal domain from Chaetomium thermophilum
分子名称: CNH domain-containing protein
著者Kiontke, S, Ungermann, C, Kuemmel, D.
登録日2022-05-11
公開日2022-09-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure of the HOPS tethering complex, a lysosomal membrane fusion machinery.
Elife, 11, 2022
8A2C
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BU of 8a2c by Molmil
The crystal structure of the S178A mutant of PET40, a PETase enzyme from an unclassified Amycolatopsis
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Costanzi, E, Applegate, V, Port, A, Smits, S.H.J.
登録日2022-06-03
公開日2023-06-14
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The metagenome-derived esterase PET40 is highly promiscuous and hydrolyses polyethylene terephthalate (PET).
Febs J., 291, 2024
5C37
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BU of 5c37 by Molmil
Structure of the beta-ketoacyl reductase domain of human fatty acid synthase bound to a spiro-imidazolone inhibitor
分子名称: 6-{[(3R)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1H-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one, CHLORIDE ION, Fatty acid synthase, ...
著者Schubert, C, Milligan, C.M, Vo, K, Grasberger, B.
登録日2015-06-17
公開日2016-06-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and synthesis of a series of bioavailable fatty acid synthase (FASN) KR domain inhibitors for cancer therapy.
Bioorg.Med.Chem.Lett., 28, 2018
8P25
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BU of 8p25 by Molmil
Solution structure of a chimeric U2AF2 RRM2 / FUBP1 N-Box
分子名称: Splicing factor U2AF 65 kDa subunit,Far upstream element-binding protein 1
著者Hipp, C, Sattler, M.
登録日2023-05-14
公開日2023-07-26
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献FUBP1 is a general splicing factor facilitating 3' splice site recognition and splicing of long introns.
Mol.Cell, 83, 2023
7RSO
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BU of 7rso by Molmil
AMC016 SOSIP.v4.2 in complex with PGV04 Fab
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, AMC016 gp120, ...
著者Bader, D.L.V, Cottrell, C.A, Ward, A.B.
登録日2021-08-11
公開日2021-09-15
最終更新日2022-01-26
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献The Glycan Hole Area of HIV-1 Envelope Trimers Contributes Prominently to the Induction of Autologous Neutralization.
J.Virol., 96, 2022
7RSN
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BU of 7rsn by Molmil
AMC018 SOSIP.v4.2 in complex with PGV04 Fab
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, AMC018 gp120, ...
著者Cottrell, C.A, Ward, A.B.
登録日2021-08-11
公開日2021-09-15
最終更新日2022-01-26
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献The Glycan Hole Area of HIV-1 Envelope Trimers Contributes Prominently to the Induction of Autologous Neutralization.
J.Virol., 96, 2022
6BSV
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BU of 6bsv by Molmil
Crystal structure of Xyloglucan Xylosyltransferase binary form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, NITRATE ION, ...
著者Zabotina, O.A, Culbertson, A.T, Ehrlich, J.J, Choe, J, Honzatko, R.B.
登録日2017-12-04
公開日2018-05-23
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (2.433 Å)
主引用文献Structure of xyloglucan xylosyltransferase 1 reveals simple steric rules that define biological patterns of xyloglucan polymers.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BSU
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BU of 6bsu by Molmil
Crystal structure of xyloglucan xylosyltransferase I
分子名称: MANGANESE (II) ION, Xyloglucan 6-xylosyltransferase 1
著者Culbertson, A.T, Ehrlich, J.J, Choe, J, Honzatko, R.B, Zabotina, O.A.
登録日2017-12-04
公開日2018-05-23
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献Structure of xyloglucan xylosyltransferase 1 reveals simple steric rules that define biological patterns of xyloglucan polymers.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BSW
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BU of 6bsw by Molmil
Crystal structure of Xyloglucan Xylosyltransferase 1 ternary form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MANGANESE (II) ION, ...
著者Culbertson, A.T, Ehrlich, J.J, Choe, J, Honzatko, R.B, Zabotina, O.A.
登録日2017-12-04
公開日2018-05-23
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (2.156 Å)
主引用文献Structure of xyloglucan xylosyltransferase 1 reveals simple steric rules that define biological patterns of xyloglucan polymers.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2GHI
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BU of 2ghi by Molmil
Crystal Structure of Plasmodium yoelii Multidrug Resistance Protein 2
分子名称: SULFATE ION, transport protein
著者Dong, A, Gao, M, Choe, J, Zhao, Y, Lew, J, Wasney, G, Alam, Z, Melone, M, Kozieradzki, I, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
登録日2006-03-27
公開日2006-04-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
4XG7
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BU of 4xg7 by Molmil
Crystal structure of an inhibitor-bound Syk
分子名称: 1-[(3-methyl-1-{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK
著者Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
登録日2014-12-30
公開日2015-12-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
4XG6
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BU of 4xg6 by Molmil
Crystal structure of an inhibitor-bound Syk
分子名称: 1-[(1-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK
著者Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
登録日2014-12-30
公開日2015-12-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
1X32
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BU of 1x32 by Molmil
Three Dimensional Solution Structure of the Chromo1 domain of cpSRP43
分子名称: chloroplast signal recognition particle component
著者Sivaraja, V, Kumar, T.K, Henry, R, Yu, C.
登録日2005-04-28
公開日2005-09-20
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Three-dimensional solution structures of the chromodomains of cpSRP43
J.Biol.Chem., 280, 2005
4XG4
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BU of 4xg4 by Molmil
Crystal structure of an inhibitor-bound Syk
分子名称: (3R)-1-{[1-(5-fluoro-2-{[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]amino}pyrimidin-4-yl)-4-methyl-1H-pyrrol-3-yl]methyl}pyrrolidin-3-ol, Tyrosine-protein kinase SYK
著者Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
登録日2014-12-30
公開日2015-12-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
4XG9
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BU of 4xg9 by Molmil
Crystal structure of an inhibitor-bound Syk
分子名称: 1-[(1-{2-[(3-chloro-1,2-dimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK
著者Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
登録日2014-12-30
公開日2015-12-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
5U6N
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BU of 5u6n by Molmil
Crystal structure of UDP-glucosyltransferase, UGT74F2 (T15S), with UDP and salicylic acid
分子名称: 2-HYDROXYBENZOIC ACID, GLUTAMINE, UDP-glycosyltransferase 74F2, ...
著者George Thompson, A.M, Iancu, C.V, Dean, J.V, Choe, J.
登録日2016-12-08
公開日2017-05-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Differences in salicylic acid glucose conjugations by UGT74F1 and UGT74F2 from Arabidopsis thaliana.
Sci Rep, 7, 2017
5V2K
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BU of 5v2k by Molmil
Crystal structure of UDP-glucosyltransferase, UGT74F2 (T15A), with UDP and 2-bromobenzoic acid
分子名称: 2-bromobenzoic acid, UDP-glycosyltransferase 74F2, URIDINE-5'-DIPHOSPHATE, ...
著者George Thompson, A.M, Iancu, C.V, Dean, J.V, Choe, J.
登録日2017-03-04
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Differences in salicylic acid glucose conjugations by UGT74F1 and UGT74F2 from Arabidopsis thaliana.
Sci Rep, 7, 2017
6L97
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BU of 6l97 by Molmil
Complex of DNA polymerase IV and L-DNA duplex
分子名称: DNA (5'-D(*(0DG)P*(0DG)P*(0DG)P*(0DG)P*(0DG)P*(0DA)P*(0DA)P*(0DG)P*(0DG)P*(0DA)P*(0DT)P*(0DT)P*(0DC)P*(0DC))-3'), DNA (5'-D(P*(0DG)P*(0DG)P*(0DA)P*(0DA)P*(0DT)P*(0DC)P*(0DC)P*(0DT)P*(0DT)P*(0DC)P*(0DC)P*(0DC)P*(0DC)P*(0DC))-3'), DNA polymerase IV
著者Chung, H.S, An, J, Hwang, D.
登録日2019-11-08
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.362 Å)
主引用文献The crystal structure of a natural DNA polymerase complexed with mirror DNA.
Chem.Commun.(Camb.), 56, 2020

223532

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