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7A3N
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BU of 7a3n by Molmil
Crystal structure of Zika virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE1 C10
分子名称: CALCIUM ION, Core protein, EDE1 C10 Fab
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
7A3T
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BU of 7a3t by Molmil
Crystal structure of dengue 3 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE1 C8
分子名称: Core protein, EDE1 C8 antibody Fab fragment, GLYCEROL, ...
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
7A3U
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BU of 7a3u by Molmil
Crystal structure of Zika virus envelope glycoprotein in complex with the divalent F(ab')2 fragment of the broadly neutralizing human antibody EDE1 C10
分子名称: EDE1 C10 antibody divalent F(ab')2 fragment, EDE1 C10 divalent F(ab')2 fragment, Envelope protein
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
7A3P
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BU of 7a3p by Molmil
Crystal structure of dengue 3 virus envelope glycoprotein in complex with the scFv fragment of the broadly neutralizing human antibody EDE1 C10
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, Single Chain Variable Fragment
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
7A3S
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BU of 7a3s by Molmil
Crystal structure of dengue 3 virus envelope glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, SULFATE ION
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Navarro-Sanchez, E, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
7A3Q
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BU of 7a3q by Molmil
Crystal structure of dengue 4 virus envelope glycoprotein in complex with the scFv fragment of the broadly neutralizing human antibody EDE1 C10
分子名称: (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ...
著者Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Rey, F.A.
登録日2020-08-18
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
6XBH
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BU of 6xbh by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW247
分子名称: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-06-06
公開日2020-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
8C4A
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BU of 8c4a by Molmil
Structural and interactional insights into the glideosome-associated connector from Toxoplasma gondii
分子名称: Putative anonymous antigen-1
著者Kumar, A, Morgan, R.M.L, Matthews, S.J.
登録日2023-01-03
公開日2023-07-19
実験手法X-RAY DIFFRACTION (2.675 Å)
主引用文献Structural and regulatory insights into the glideosome-associated connector from Toxoplasma gondii.
Elife, 12, 2023
6XBG
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BU of 6xbg by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW246
分子名称: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-06-05
公開日2020-06-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献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
6ML7
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BU of 6ml7 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4 with a CpG 5mC Modification)
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*(5CM)P*GP*AP*AP*TP*T)-3'), ...
著者Horton, J.R, Cheng, X, Ren, R.
登録日2018-09-26
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
6ML3
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BU of 6ml3 by Molmil
ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 2)
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*AP*GP*CP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*GP*CP*TP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
著者Horton, J.R, Cheng, X, Ren, R.
登録日2018-09-26
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.683 Å)
主引用文献Structural basis of specific DNA binding by the transcription factor ZBTB24.
Nucleic Acids Res., 47, 2019
4RTS
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BU of 4rts by Molmil
Complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with AdoMet and a 5-bp non-canonical site (GTCTA)
分子名称: DNA (5'-D(*AP*CP*TP*TP*AP*GP*AP*CP*TP*TP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*GP*TP*CP*TP*AP*AP*G)-3'), DNA adenine methylase, ...
著者Horton, J.R, Cheng, X.
登録日2014-11-15
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: potential implications for methylation-independent transcriptional repression.
Nucleic Acids Res., 43, 2015
4RTO
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BU of 4rto by Molmil
Complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with Sinefungin and with DNA Containing Proximal Pap Regulon Sequence
分子名称: DNA (5'-D(*AP*CP*GP*AP*TP*CP*TP*TP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*AP*AP*GP*AP*TP*CP*G)-3'), DNA adenine methylase, ...
著者Horton, J.R, Cheng, X.
登録日2014-11-15
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: potential implications for methylation-independent transcriptional repression.
Nucleic Acids Res., 43, 2015
4RTR
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BU of 4rtr by Molmil
Complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with AdoMet and a 5-bp non-canonical site (GTTTA )
分子名称: DNA (5'-D(*AP*CP*TP*TP*AP*AP*AP*CP*TP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*AP*GP*TP*TP*TP*AP*AP*G)-3'), DNA adenine methylase, ...
著者Horton, J.R, Cheng, X.
登録日2014-11-15
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.393 Å)
主引用文献Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: potential implications for methylation-independent transcriptional repression.
Nucleic Acids Res., 43, 2015
4RTJ
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BU of 4rtj by Molmil
A non-cognate complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with DNA and Sinefungin
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*CP*TP*AP*GP*AP*TP*CP*TP*AP*GP*A)-3'), DNA adenine methylase, ...
著者Horton, J.R, Cheng, X.
登録日2014-11-15
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: potential implications for methylation-independent transcriptional repression.
Nucleic Acids Res., 43, 2015
4RTQ
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BU of 4rtq by Molmil
Complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with AdoHcy and a 5-bp non-canonical site (GTTTA )
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*TP*TP*AP*AP*AP*CP*TP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*AP*GP*TP*TP*TP*AP*AP*G)-3'), ...
著者Horton, J.R, Cheng, X.
登録日2014-11-15
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: potential implications for methylation-independent transcriptional repression.
Nucleic Acids Res., 43, 2015
8TQP
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BU of 8tqp by Molmil
HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor
分子名称: 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-{(1R)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}acetamide, Gag polyprotein
著者Goldstone, D.C, Barnett, M.J, Taka, J.R.H.
登録日2023-08-08
公開日2023-12-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators.
J.Med.Chem., 66, 2023
8TOV
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BU of 8tov by Molmil
HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor
分子名称: 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-[(1R)-2-(3,5-difluorophenyl)-1-{3-[4-(morpholine-4-sulfonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl]acetamide, Matrix protein p17
著者Goldstone, D.C, Barnett, M.J, Taka, J.R.H.
登録日2023-08-04
公開日2023-12-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators.
J.Med.Chem., 66, 2023
4RTN
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BU of 4rtn by Molmil
Complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with AdoHcy and with DNA Containing Proximal Pap Regulon Sequence
分子名称: DNA (5'-D(*AP*CP*GP*AP*TP*CP*TP*TP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*AP*AP*GP*AP*TP*CP*G)-3'), DNA adenine methylase, ...
著者Horton, J.R, Cheng, X.
登録日2014-11-15
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: potential implications for methylation-independent transcriptional repression.
Nucleic Acids Res., 43, 2015
6OOH
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BU of 6ooh by Molmil
CTX-M-27 Beta Lactamase with Compound 14
分子名称: 3-(1H-pyrazol-1-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase
著者Kemp, M, Chen, Y.
登録日2019-04-23
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献An Empirical Study of Amide-Heteroarene pi-Stacking Interactions Using Reversible Inhibitors of a Bacterial Serine Hydrolase.
Org Chem Front, 6, 2019
4RTM
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BU of 4rtm by Molmil
Complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with AdoMet and with DNA Containing Distal Pap Regulon Sequence
分子名称: DNA (5'-D(*AP*CP*GP*AP*TP*CP*TP*TP*TP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*AP*GP*AP*TP*CP*G)-3'), DNA adenine methylase, ...
著者Horton, J.R, Cheng, X.
登録日2014-11-15
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: potential implications for methylation-independent transcriptional repression.
Nucleic Acids Res., 43, 2015
8P5Y
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BU of 8p5y by Molmil
Artificial transfer hydrogenase with a Mn-12 cofactor and Streptavidin S112Y-K121M mutant
分子名称: 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)ethyl]pentanamide, BROMIDE ION, CHLORIDE ION, ...
著者Lau, K, Wang, W, Pojer, F, Larabi, A.
登録日2023-05-24
公開日2023-09-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Manganese Transfer Hydrogenases Based on the Biotin-Streptavidin Technology.
Angew.Chem.Int.Ed.Engl., 62, 2023
8P5Z
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BU of 8p5z by Molmil
Artificial transfer hydrogenase with a Mn-5 cofactor and Streptavidin S112Y-K121M mutant
分子名称: 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[(5-methylpyridin-2-yl)methylamino]ethyl]pentanamide, BROMIDE ION, GLYCEROL, ...
著者Lau, K, Wang, W, Pojer, F, Larabi, A.
登録日2023-05-24
公開日2023-09-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Manganese Transfer Hydrogenases Based on the Biotin-Streptavidin Technology.
Angew.Chem.Int.Ed.Engl., 62, 2023
6OOF
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BU of 6oof by Molmil
CTX-M-14 Beta Lactamase with Compound 20
分子名称: 3-(1H-tetrazol-5-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide, Beta-lactamase
著者Kemp, M, Chen, Y.
登録日2019-04-23
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.236 Å)
主引用文献An Empirical Study of Amide-Heteroarene pi-Stacking Interactions Using Reversible Inhibitors of a Bacterial Serine Hydrolase.
Org Chem Front, 6, 2019
6OD5
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BU of 6od5 by Molmil
Human TCF4 C-terminal bHLH domain in Complex with 12-bp Oligonucleotide Containing E-box Sequence with 5-carboxylcytosines
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*AP*(1CC)P*GP*CP*AP*CP*GP*TP*GP*(1CC)P*G)-3'), ...
著者Horton, J.R, Cheng, X, Yang, J.
登録日2019-03-25
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for preferential binding of human TCF4 to DNA containing 5-carboxylcytosine.
Nucleic Acids Res., 47, 2019

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