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6KSQ
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BU of 6ksq by Molmil
Middle Domain of Human HSP90 Alpha
分子名称: Heat shock protein HSP 90-alpha
著者Su, H.X, Zhou, C, Zhang, N.X, Xu, Y.C.
登録日2019-08-25
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Allosteric Regulation of Hsp90 alpha's Activity by Small Molecules Targeting the Middle Domain of the Chaperone.
Iscience, 23, 2020
6IPP
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BU of 6ipp by Molmil
Non-native ferritin 8-mer mutant-C90A/C102A/C130A/D144C
分子名称: FE (III) ION, Ferritin heavy chain
著者Zang, J, Chen, H, Zhou, K, Zhao, G.
登録日2018-11-03
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.699 Å)
主引用文献Disulfide-mediated conversion of 8-mer bowl-like protein architecture into three different nanocages.
Nat Commun, 10, 2019
6PAU
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BU of 6pau by Molmil
Structure of Human NMT2 with myristoyl-lysine peptide and CoA products
分子名称: 4'-diphospho pantetheine, Arf6 peptide, GLYCEROL, ...
著者Price, I.R, Lin, H.
登録日2019-06-11
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献NMT1 and NMT2 are lysine myristoyltransferases regulating the ARF6 GTPase cycle.
Nat Commun, 11, 2020
8W2F
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BU of 8w2f by Molmil
Plasmodium falciparum 20S proteasome bound to an inhibitor
分子名称: (3S)-1-[(2-fluoroethoxy)acetyl]-N-{[(4P)-4-(6-methylpyridin-3-yl)-1,3-thiazol-2-yl]methyl}piperidine-3-carboxamide, Proteasome endopeptidase complex, Proteasome subunit alpha type, ...
著者Han, Y, Deng, X, Ray, S, Chen, Z, Phillips, M.
登録日2024-02-20
公開日2024-07-31
最終更新日2024-09-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Identification of potent and reversible piperidine carboxamides that are species-selective orally active proteasome inhibitors to treat malaria.
Cell Chem Biol, 31, 2024
5YSW
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BU of 5ysw by Molmil
Crystal Structure Analysis of Rif16 in complex with R-L
分子名称: (2S,12E,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y.
登録日2017-11-15
公開日2018-07-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Deciphering the late steps of rifamycin biosynthesis.
Nat Commun, 9, 2018
6IPC
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BU of 6ipc by Molmil
Non-native human ferritin 8-mer
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Ferritin heavy chain
著者Zang, J.C, Chen, H, Zhao, G.
登録日2018-11-03
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (4.443 Å)
主引用文献Disulfide-mediated conversion of 8-mer bowl-like protein architecture into three different nanocages.
Nat Commun, 10, 2019
5YSM
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BU of 5ysm by Molmil
Crystal Structure Analysis of Rif16
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y.
登録日2017-11-14
公開日2018-07-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Deciphering the late steps of rifamycin biosynthesis.
Nat Commun, 9, 2018
6IPQ
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BU of 6ipq by Molmil
Non-native ferritin 8-mer mutant-C90A/C102A/C130A
分子名称: Ferritin heavy chain, MAGNESIUM ION
著者Zang, J, Chen, H, Wang, Y, Zhao, G.
登録日2018-11-03
公開日2019-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.103 Å)
主引用文献Disulfide-mediated conversion of 8-mer bowl-like protein architecture into three different nanocages.
Nat Commun, 10, 2019
8QQ0
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SARS-CoV-2 S protein bound to neutralising antibody UZGENT_A3
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Remaut, H, Reiter, D, Vandenkerckhove, L, Acar, D.D, Witkowski, W, Gerlo, S.
登録日2023-10-03
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Integrating artificial intelligence-based epitope prediction in a SARS-CoV-2 antibody discovery pipeline: caution is warranted.
Ebiomedicine, 100, 2024
8QPR
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BU of 8qpr by Molmil
SARS-CoV-2 S protein bound to human neutralising antibody UZGENT_G5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IgG heavy chain - FAB, ...
著者Remaut, H, Reiter, D, Vandenkerckhove, L, Acar, D.D, Witkowski, W, Gerlo, S.
登録日2023-10-03
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Integrating artificial intelligence-based epitope prediction in a SARS-CoV-2 antibody discovery pipeline: caution is warranted.
Ebiomedicine, 100, 2024
8DDI
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BU of 8ddi by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166N Mutant
分子名称: 3C-like proteinase nsp5
著者Lewandowski, E.M, Jacobs, L.M.C, Chen, Y.
登録日2022-06-18
公開日2022-08-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A yeast-based system to study SARS-CoV-2 Mpro structure and to identify nirmatrelvir resistant mutations.
Plos Pathog., 19, 2023
8DDM
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BU of 8ddm by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166R Mutant in Complex with Inhibitor GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
著者Lewandowski, E.M, Chen, Y.
登録日2022-06-18
公開日2022-08-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献A yeast-based system to study SARS-CoV-2 Mpro structure and to identify nirmatrelvir resistant mutations.
Plos Pathog., 19, 2023
4LCZ
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BU of 4lcz by Molmil
Crystal structure of a multilayer-packed major light-harvesting complex
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Wan, T, Li, M, Chang, W.R.
登録日2013-06-24
公開日2014-05-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of a multilayer packed major light-harvesting complex: implications for grana stacking in higher plants.
Mol Plant, 7, 2014
4LN5
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BU of 4ln5 by Molmil
Crystal structure of a trap periplasmic solute binding protein from burkholderia ambifaria (Bamb_6123), TARGET EFI-510059, with bound glycerol and chloride ion
分子名称: CHLORIDE ION, GLYCEROL, TRAP dicarboxylate transporter, ...
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-07-11
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
5LZ9
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BU of 5lz9 by Molmil
Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
分子名称: 2-fluoranyl-5-[2-[(4~{S})-4-[4-methyl-1,1-bis(oxidanylidene)thian-4-yl]-2-oxidanylidene-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase, ...
著者Woolford, A, Day, P.
登録日2016-09-29
公開日2016-12-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
5LZ5
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Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
分子名称: 2-fluoranyl-5-[2-[(4~{S})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase
著者Woolford, A.J.A, Day, P.J.
登録日2016-09-29
公開日2016-12-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
8JE1
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BU of 8je1 by Molmil
An asymmetry dimer of the Cul2-Rbx1-EloBC-FEM1B ubiquitin ligase complexed with BEX2
分子名称: Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ...
著者Dai, Z, Liang, L, Yin, Y.X.
登録日2023-05-15
公開日2024-02-28
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
8JE2
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Cryo-EM structure of neddylated Cul2-Rbx1-EloBC-FEM1B complexed with FNIP1-FLCN
分子名称: Cullin-2, Elongin-B, Elongin-C, ...
著者Dai, Z, Liang, L, Yin, Y.X.
登録日2023-05-15
公開日2024-02-28
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.63 Å)
主引用文献Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
5LZ4
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BU of 5lz4 by Molmil
Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
分子名称: 5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase
著者Woolford, A, Day, P.
登録日2016-09-29
公開日2016-12-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
4MNC
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BU of 4mnc by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_4736), Target EFI-510156, with bound benzoyl formate, space group P21
分子名称: BENZOYL-FORMIC ACID, SULFATE ION, TRAP dicarboxylate transporter-DctP subunit
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-09-10
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
5MSY
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BU of 5msy by Molmil
Glycoside hydrolase BT_1012
分子名称: AMMONIA, Glycoside hydrolase, PHOSPHATE ION
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2017-01-06
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
1WPQ
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BU of 1wpq by Molmil
Ternary Complex Of Glycerol 3-phosphate Dehydrogenase 1 with NAD and dihydroxyactone
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, Glycerol-3-phosphate dehydrogenase [NAD+], cytoplasmic, ...
著者Ou, X, Han, X, Rao, Z.
登録日2004-09-10
公開日2006-04-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structures of Human Glycerol 3-phosphate Dehydrogenase 1 (GPD1)
J.Mol.Biol., 357, 2006
6V62
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SETD3 double mutant (N255F/W273A) in Complex with an Actin Peptide with His73 Replaced with Lysine
分子名称: 1,2-ETHANEDIOL, Actin, cytoplasmic 1, ...
著者Dai, S, Horton, J.R, Cheng, X.
登録日2019-12-04
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献An engineered variant of SETD3 methyltransferase alters target specificity from histidine to lysine methylation.
J.Biol.Chem., 295, 2020
5MQS
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Sialidase BT_1020
分子名称: Beta-L-arabinobiosidase, CALCIUM ION, SODIUM ION, ...
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2016-12-20
公開日2017-03-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
5MQR
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Sialidase BT_1020
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-L-arabinobiosidase, ...
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2016-12-20
公開日2017-03-22
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017

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