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6MCB
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BU of 6mcb by Molmil
CryoEM structure of AcrIIA2 in complex with CRISPR-Cas9
分子名称: Anti-CRISPR protein AcrIIA2, CRISPR-associated endonuclease Cas9, Single guide RNA (116-MER)
著者Jiang, F, Liu, J.J, Doudna, J.A.
登録日2018-08-31
公開日2019-01-16
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Temperature-Responsive Competitive Inhibition of CRISPR-Cas9.
Mol. Cell, 73, 2019
4YN7
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BU of 4yn7 by Molmil
Non-oxidized YfiR
分子名称: SULFATE ION, YfiR
著者Yang, X, Jiang, T.
登録日2015-03-09
公開日2015-04-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of YfiR from Pseudomonas aeruginosa in two redox states
Biochem.Biophys.Res.Commun., 461, 2015
1FT4
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BU of 1ft4 by Molmil
PHOTOCHEMICALLY-ENHANCED BINDING OF SMALL MOLECULES TO THE TUMOR NECROSIS FACTOR RECEPTOR-1
分子名称: 5-(3-MORPHOLIN-4-YL-PROPYL)-2-(3-NITRO-PHENYL)-4-THIOXO-4,5-DIHYDRO-1-THIA-3B,5-DIAZA-CYCLOPENTA[A]PENTALEN-6-ONE, SOLUBLE TUMOR NECROSIS FACTOR RECEPTOR 1
著者Muckelbauer, J.K, Chang, C.-H.
登録日2000-09-11
公開日2001-10-12
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Photochemically enhanced binding of small molecules to the tumor necrosis factor receptor-1 inhibits the binding of TNF-alpha.
Proc.Natl.Acad.Sci.USA, 98, 2001
5HDA
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BU of 5hda by Molmil
Crystal Structure of the BS69 coiled coil-MYND domains bound to an EBNA2 PXLXP motif
分子名称: Epstein-Barr nuclear antigen 2, ZINC ION, Zinc finger MYND domain-containing protein 11
著者Song, J, Harter, M.
登録日2016-01-05
公開日2016-01-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3899 Å)
主引用文献BS69/ZMYND11 C-Terminal Domains Bind and Inhibit EBNA2.
Plos Pathog., 12, 2016
3FKT
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BU of 3fkt by Molmil
Crystal Structure of Human Beta Secretase Complexed with Spiropiperdine Iminohydantoin Inhibitor
分子名称: Beta-secretase 1, N-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide
著者Munshi, S.
登録日2008-12-17
公開日2009-01-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and X-ray Crystallographic Analysis of a Iminohydantoin Inhibitor of beta-Secretase
J.Med.Chem., 51, 2008
7BUA
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BU of 7bua by Molmil
Cryo-EM structure of zika virus complexed with Fab SIgN-3C at pH 8.0
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, SIgN-3C Fab heavy chain, ...
著者Zhang, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Lok, S.M.
登録日2020-04-06
公開日2020-05-13
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献A Human Antibody Neutralizes Different Flaviviruses by Using Different Mechanisms.
Cell Rep, 31, 2020
7BR8
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BU of 7br8 by Molmil
Epstein-Barr virus, C5 penton vertex, CATC absent.
分子名称: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
著者Li, Z, Yu, X.
登録日2020-03-26
公開日2020-09-30
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献CryoEM structure of the tegumented capsid of Epstein-Barr virus.
Cell Res., 30, 2020
7BUD
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BU of 7bud by Molmil
Cryo-EM structure of Dengue virus serotype 2 complexed with Fab SIgN-3C at pH 8.0
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, Dengue virus serotype 2 E protein, ...
著者Zhang, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Lok, S.M.
登録日2020-04-06
公開日2020-05-13
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献A Human Antibody Neutralizes Different Flaviviruses by Using Different Mechanisms.
Cell Rep, 31, 2020
4FOD
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BU of 4fod by Molmil
Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 36
分子名称: 4-fluoro-N-{(2E)-6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-1-[cis-4-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-dihydro-2H-benzimidazol-2-ylidene}benzamide, ALK tyrosine kinase receptor, GLYCEROL
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-06-20
公開日2012-07-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer.
J.Med.Chem., 55, 2012
7BSI
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BU of 7bsi by Molmil
Epstein-Barr virus, one asymmetric unit structure of the icosahedral tegumented capsid
分子名称: Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
著者Li, Z, Yu, X.
登録日2020-03-30
公開日2020-09-30
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献CryoEM structure of the tegumented capsid of Epstein-Barr virus.
Cell Res., 30, 2020
7BUE
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BU of 7bue by Molmil
Cryo-EM structure of Dengue virus serotype 2 complexed with Fab SIgN-3C at pH 5.0
分子名称: Dengue serotype 2 E protein ectodomain, SIgN-3C Fab heavy chain, SIgN-3C Fab light chain
著者Zhang, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Lok, S.M.
登録日2020-04-06
公開日2020-05-13
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献A Human Antibody Neutralizes Different Flaviviruses by Using Different Mechanisms.
Cell Rep, 31, 2020
7BQT
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BU of 7bqt by Molmil
Epstein-Barr virus, C12 portal dodecamer
分子名称: Portal protein
著者Li, Z, Yu, X.
登録日2020-03-25
公開日2020-09-30
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献CryoEM structure of the tegumented capsid of Epstein-Barr virus.
Cell Res., 30, 2020
7BU8
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BU of 7bu8 by Molmil
Cryo-EM structure of zika virus complexed with Fab SIgN-3C at pH 6.5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, SIgN-3C Fab heavy chain, ...
著者Zhang, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Lok, S.M.
登録日2020-04-05
公開日2020-05-13
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献A Human Antibody Neutralizes Different Flaviviruses by Using Different Mechanisms.
Cell Rep, 31, 2020
7BQX
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BU of 7bqx by Molmil
Epstein-Barr virus, C5 portal vertex
分子名称: Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ...
著者Li, Z, Yu, X.
登録日2020-03-25
公開日2020-09-30
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献CryoEM structure of the tegumented capsid of Epstein-Barr virus.
Cell Res., 30, 2020
7BR7
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BU of 7br7 by Molmil
Epstein-Barr virus, C1 portal-proximal penton vertex, CATC binding
分子名称: Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ...
著者Li, Z, Yu, X.
登録日2020-03-26
公開日2020-09-30
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献CryoEM structure of the tegumented capsid of Epstein-Barr virus.
Cell Res., 30, 2020
7BUB
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BU of 7bub by Molmil
Cryo-EM structure of Dengue virus serotype 2 complexed with Fab SIgN-3C at pH 6.5
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, Dengue virus serotype 2 M protein, ...
著者Zhang, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Lok, S.M.
登録日2020-04-06
公開日2020-05-13
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献A Human Antibody Neutralizes Different Flaviviruses by Using Different Mechanisms.
Cell Rep, 31, 2020
7BUF
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BU of 7buf by Molmil
Cryo-EM structure of Dengue virus serotype 2 complexed with SIgN-3C IgG
分子名称: Dengue virus serotype 2 E protein, Dengue virus serotype 2 M protein, SIgN-3C IgG heavy chain, ...
著者Zhang, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Lok, S.M.
登録日2020-04-06
公開日2020-05-13
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献A Human Antibody Neutralizes Different Flaviviruses by Using Different Mechanisms.
Cell Rep, 31, 2020
4FOB
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BU of 4fob by Molmil
Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 1
分子名称: ALK tyrosine kinase receptor, N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-06-20
公開日2012-07-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer.
J.Med.Chem., 55, 2012
4FOC
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BU of 4foc by Molmil
Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 2
分子名称: ALK tyrosine kinase receptor, methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1H-benzimidazol-1-yl]cyclohexanecarboxylate
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-06-20
公開日2012-07-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer.
J.Med.Chem., 55, 2012
7DRT
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BU of 7drt by Molmil
Human Wntless in complex with Wnt3a
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhong, Q, Zhao, Y, Ye, F, Xiao, Z, Huang, G, Zhang, Y, Lu, P, Xu, W, Zhou, Q, Ma, D.
登録日2020-12-29
公開日2021-07-14
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Cryo-EM structure of human Wntless in complex with Wnt3a.
Nat Commun, 12, 2021
3HDF
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BU of 3hdf by Molmil
Crystal structure of truncated endolysin R21 from phage 21
分子名称: GLYCEROL, Lysozyme, NITRATE ION
著者Sun, Q, Sacchettini, J.C.
登録日2009-05-07
公開日2009-11-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Regulation of a muralytic enzyme by dynamic membrane topology.
Nat.Struct.Mol.Biol., 16, 2009
7EFT
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BU of 7eft by Molmil
Crystal structure of cell shape-determining protein MreC
分子名称: CHLORIDE ION, Cell shape protein MreC
著者Xu, Q, Xiao, Q.J, Sun, B.
登録日2021-03-23
公開日2021-10-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of MreC provides insights into polymer formation.
Febs Open Bio, 12, 2022
8HTR
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BU of 8htr by Molmil
Crystal structure of Bcl2 in complex with S-9c
分子名称: 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
著者Liu, J, Xu, M, Feng, Y, Liu, Y.
登録日2022-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
8HTS
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BU of 8hts by Molmil
Crystal structure of Bcl2 in complex with S-10r
分子名称: 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
著者Liu, J, Xu, M, Feng, Y, Liu, Y.
登録日2022-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
8GK7
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BU of 8gk7 by Molmil
MsbA bound to cerastecin C
分子名称: 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid, Lipid A export ATP-binding/permease protein MsbA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Chen, Y, Klein, D.
登録日2023-03-17
公開日2024-04-24
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Cerastecins inhibit membrane lipooligosaccharide transport in drug-resistant Acinetobacter baumannii.
Nat Microbiol, 9, 2024

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