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2N5C
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BU of 2n5c by Molmil
Solution NMR structure of the lasso peptide chaxapeptin
分子名称: chaxapeptin
著者Elsayed, S.S, Trusch, F, Deng, H, Raab, A, Prokes, I, Busarakam, K, Asenjo, J.A, Andrews, B.A, van West, P, Bull, A.T, Goodfellow, M, Yi, Y, Ebel, R, Jaspars, M, Rateb, M.E.
登録日2015-07-14
公開日2015-10-07
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Chaxapeptin, a Lasso Peptide from Extremotolerant Streptomyces leeuwenhoekii Strain C58 from the Hyperarid Atacama Desert.
J.Org.Chem., 80, 2015
3VCB
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BU of 3vcb by Molmil
C425S mutant of the C-terminal cytoplasmic domain of non-structural protein 4 from mouse hepatitis virus A59
分子名称: RNA-directed RNA polymerase
著者Xu, X, Lou, Z, Ma, Y, Chen, X, Yang, Z, Tong, X, Zhao, Q, Xu, Y, Deng, H, Bartlam, M, Rao, Z.
登録日2012-01-03
公開日2012-01-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the C-terminal cytoplasmic domain of non-structural protein 4 from mouse hepatitis virus A59.
Plos One, 4, 2009
3VC8
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BU of 3vc8 by Molmil
Crystal structure of the C-terminal cytoplasmic domain of non-structural protein 4 from mouse hepatitis virus A59
分子名称: RNA-directed RNA polymerase
著者Xu, X, Lou, Z, Ma, Y, Chen, X, Yang, Z, Tong, X, Zhao, Q, Xu, Y, Deng, H, Bartlam, M, Rao, Z.
登録日2012-01-03
公開日2012-01-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the C-terminal cytoplasmic domain of non-structural protein 4 from mouse hepatitis virus A59.
Plos One, 4, 2009
5LMZ
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BU of 5lmz by Molmil
Fluorinase from Streptomyces sp. MA37
分子名称: 1-DEAZA-ADENOSINE, CHLORIDE ION, Fluorinase, ...
著者Mann, G, O'Hagan, D, Naismith, J.H, Bandaranayaka, N.
登録日2016-08-02
公開日2016-08-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Identification of fluorinases from Streptomyces sp MA37, Norcardia brasiliensis, and Actinoplanes sp N902-109 by genome mining.
Chembiochem, 15, 2014
5HNE
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BU of 5hne by Molmil
X-RAY CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A 2-ARYL BENZIMIDAZOLE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR
分子名称: 1,2-ETHANEDIOL, 1-[(1R,3S)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-N-methyl-2-(pyridin-2-yl)-1H-benzimidazole-5-carboxamide, Branched-chain-amino-acid aminotransferase, ...
著者Somers, D.O.
登録日2016-01-18
公開日2016-05-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Discovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors.
Acs Med.Chem.Lett., 7, 2016
2C2W
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BU of 2c2w by Molmil
The fluorinase from Streptomyces cattleya is also a chlorinase. Structure of 5'-chloro-5'-deoxyadenosine crystallised in the fluorinase.
分子名称: 5'-CHLORO-5'-DEOXYADENOSINE, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, CHLORIDE ION
著者McEwan, A.R, Naismith, J.H, O'Hagan, D.
登録日2005-09-30
公開日2005-12-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The fluorinase from Streptomyces cattleya is also a chlorinase.
Angew. Chem. Int. Ed. Engl., 45, 2006
2FDA
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BU of 2fda by Molmil
Crystal Structure of the Catalytic Domain of Human Coagulation Factor XIa in Complex with alpha-Ketothiazole Arginine Derived Ligand
分子名称: BICARBONATE ION, Coagulation factor XI, N~2~-(AMINOCARBONYL)-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[HYDROXY(1,3-THIAZOL-2-YL)METHYL]BUTYL}VALINAMIDE, ...
著者Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E.
登録日2005-12-13
公開日2006-04-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
5CR5
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BU of 5cr5 by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.61A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIPHENYL PYRROLIDINE ETHER COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
分子名称: 1,2-ETHANEDIOL, 3-({(3R)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-N-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide, Branched-chain-amino-acid aminotransferase, ...
著者Somers, D.O.
登録日2015-07-22
公開日2015-08-12
最終更新日2015-09-02
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Discovery, SAR, and X-ray Binding Mode Study of BCATm Inhibitors from a Novel DNA-Encoded Library.
Acs Med.Chem.Lett., 6, 2015
3H6I
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BU of 3h6i by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome Modified by inhibitor GL1
分子名称: DIMETHYLFORMAMIDE, Proteasome (Alpha subunit) PrcA, Proteasome (Beta subunit) PrcB
著者Li, D, Li, H, Lin, G.
登録日2009-04-23
公開日2009-09-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Inhibitors selective for mycobacterial versus human proteasomes.
Nature, 461, 2009
3HFA
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BU of 3hfa by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome open-gate mutant
分子名称: DIMETHYLFORMAMIDE, Proteasome (Alpha subunit) PrcA, Proteasome (Beta subunit) PrcB
著者Li, D, Li, H.
登録日2009-05-11
公開日2009-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.504 Å)
主引用文献Inhibitors selective for mycobacterial versus human proteasomes.
Nature, 461, 2009
3HF9
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BU of 3hf9 by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome open-gate mutant modified by inhibitor GL1
分子名称: Proteasome (Alpha subunit) PrcA, Proteasome (Beta subunit) PrcB
著者Li, D, Li, H.
登録日2009-05-11
公開日2009-09-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.878 Å)
主引用文献Inhibitors selective for mycobacterial versus human proteasomes.
Nature, 461, 2009
7BYF
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BU of 7byf by Molmil
The crystal structure of mouse ORF10-Rae1-Nup98 complex
分子名称: 10 protein, MERCURY (II) ION, Peptidase S59 domain-containing protein, ...
著者Gao, P, Feng, H.
登録日2020-04-22
公開日2021-03-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular mechanism underlying selective inhibition of mRNA nuclear export by herpesvirus protein ORF10.
Proc.Natl.Acad.Sci.USA, 117, 2020
5JUN
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BU of 5jun by Molmil
PB2 bound to an azaindole inhibitor
分子名称: (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid, Polymerase basic protein 2
著者Jacobs, M.D.
登録日2016-05-10
公開日2017-05-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2.
ACS Med Chem Lett, 8, 2017
7XXL
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BU of 7xxl by Molmil
RBD in complex with Fab14
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab14 heavy chain, Fab14 light chain, ...
著者Lin, J.Q, Tan, Y.J.E, Wu, B, Lescar, J.
登録日2022-05-30
公開日2022-09-14
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (7.3 Å)
主引用文献Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
4Y5O
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BU of 4y5o by Molmil
CCM2 HHD in complex with MEKK3 NPB1
分子名称: Malcavernin, Mitogen-activated protein kinase kinase kinase 3
著者Fisher, O.S, Boggon, T.J.
登録日2015-02-11
公開日2015-07-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure and vascular function of MEKK3-cerebral cavernous malformations 2 complex.
Nat Commun, 6, 2015
6KW3
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BU of 6kw3 by Molmil
The ClassA RSC-Nucleosome Complex
分子名称: Actin-like protein ARP9, Actin-related protein 7, Chromatin structure-remodeling complex protein RSC3, ...
著者Ye, Y.P, Wu, H, Chen, K.J, Verma, N, Cairns, B, Gao, N, Chen, Z.C.
登録日2019-09-05
公開日2019-11-13
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (7.13 Å)
主引用文献Structure of the RSC complex bound to the nucleosome.
Science, 366, 2019
6KYF
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BU of 6kyf by Molmil
Crystal structure of an anti-CRISPR protein
分子名称: AcrF11, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Niu, Y, Wang, H, Zhang, Y, Feng, Y.
登録日2019-09-18
公開日2020-09-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献A Type I-F Anti-CRISPR Protein Inhibits the CRISPR-Cas Surveillance Complex by ADP-Ribosylation.
Mol.Cell, 80, 2020
4DNW
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BU of 4dnw by Molmil
Crystal structure of UVB-resistance protein UVR8
分子名称: AT5g63860/MGI19_6
著者Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Wang, J, Shi, Y.
登録日2012-02-09
公開日2012-03-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.773 Å)
主引用文献Structural basis of ultraviolet-B perception by UVR8.
Nature, 484, 2012
4DNU
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BU of 4dnu by Molmil
Crystal structure of the W285A mutant of UVB-resistance protein UVR8
分子名称: AT5g63860/MGI19_6
著者Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Zhang, J, Wang, J, Shi, Y.
登録日2012-02-09
公開日2012-03-07
最終更新日2013-07-17
実験手法X-RAY DIFFRACTION (1.764 Å)
主引用文献Structural basis of ultraviolet-B perception by UVR8.
Nature, 484, 2012
4DNV
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BU of 4dnv by Molmil
Crystal structure of the W285F mutant of UVB-resistance protein UVR8
分子名称: AT5g63860/MGI19_6
著者Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Zhang, J, Wang, J, Shi, Y.
登録日2012-02-09
公開日2012-03-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Structural basis of ultraviolet-B perception by UVR8.
Nature, 484, 2012
8G3C
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BU of 8g3c by Molmil
Crystal structure of human WDR5 in complex with N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide (compound 1, WDR5-MYC PPI inhibitor)
分子名称: N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide, WD repeat-containing protein 5
著者Zhao, M.
登録日2023-02-07
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.
J.Med.Chem., 66, 2023
8G3E
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BU of 8g3e by Molmil
Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor)
分子名称: (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide, WD repeat-containing protein 5
著者Zhao, M.
登録日2023-02-07
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.
J.Med.Chem., 66, 2023
3H6F
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BU of 3h6f by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome Modified by inhibitor HT1171
分子名称: DIMETHYLFORMAMIDE, Proteasome (Alpha subunit) PrcA, Proteasome (Beta subunit) PrcB
著者Li, D, Li, H, Lin, G.
登録日2009-04-23
公開日2009-09-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Inhibitors selective for mycobacterial versus human proteasomes.
Nature, 461, 2009
5HGU
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BU of 5hgu by Molmil
Crystal structure of human transcription factor TEAD2 in complex with palmitate
分子名称: PALMITIC ACID, Transcriptional enhancer factor TEF-4
著者Luo, X, Xiao, H.
登録日2016-01-08
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.046 Å)
主引用文献Autopalmitoylation of TEAD proteins regulates transcriptional output of the Hippo pathway.
Nat.Chem.Biol., 12, 2016
6L9K
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H2-Ld a1a2 complexed with A5 peptide
分子名称: H2-Ld a1a2, SER-PRO-SER-TYR-ALA-TYR-HIS-GLN-PHE
著者Wei, P.C, Yin, L.
登録日2019-11-10
公開日2020-11-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures suggest an approach for converting weak self-peptide tumor antigens into superagonists for CD8 T cells in cancer.
Proc.Natl.Acad.Sci.USA, 118, 2021

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