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6JO8
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BU of 6jo8 by Molmil
The complex structure of CHIKV envelope glycoprotein bound to human MXRA8
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHIKV E1, ...
著者Song, H, Zhao, Z, Qi, J, Gao, F, Gao, F.G.
登録日2019-03-20
公開日2019-05-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.495 Å)
主引用文献Molecular Basis of Arthritogenic Alphavirus Receptor MXRA8 Binding to Chikungunya Virus Envelope Protein.
Cell, 177, 2019
8VW5
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BU of 8vw5 by Molmil
Crystal structure of Cbl-b TKB bound to compound 2
分子名称: CALCIUM ION, E3 ubiquitin-protein ligase CBL-B, MAGNESIUM ION, ...
著者Yu, C, Murray, J, Hsu, P.L.
登録日2024-01-31
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding.
Acs Med.Chem.Lett., 15, 2024
8VW4
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BU of 8vw4 by Molmil
Crystal structure of Cbl-b TKB bound to compound 26
分子名称: (7-methoxy-2-{2-[(1S,3S,4S)-3-(3-methoxy-2-methyl-5-nitrophenyl)-1-methyl-5-oxo-1,5-dihydroimidazo[1,5-a]pyridin-2(3H)-yl]-2-oxoethoxy}quinolin-8-yl)acetic acid, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase CBL-B, ...
著者Yu, C, Murray, J, Hsu, P.L.
登録日2024-01-31
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding.
Acs Med.Chem.Lett., 15, 2024
8X6B
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BU of 8x6b by Molmil
Crystal structure of immune receptor PVRIG in complex with ligand Nectin-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nectin-2, Transmembrane protein PVRIG
著者Hu, S.T, Han, P, Wang, H, Qi, J.X.
登録日2023-11-21
公開日2024-04-24
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the immune recognition and selectivity of the immune receptor PVRIG for ligand Nectin-2.
Structure, 32, 2024
6AEE
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BU of 6aee by Molmil
Crystal structure of the four Ig-like domains of LILRB1 complexed with HLA-G
分子名称: 9 Mer Peptide (RL9) From Histone H2A.x, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Wang, Q, Song, H, Qi, J, Gao, G.F.
登録日2018-08-04
公開日2019-07-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.303 Å)
主引用文献Structures of the four Ig-like domain LILRB2 and the four-domain LILRB1 and HLA-G1 complex.
Cell. Mol. Immunol., 2019
8WOO
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BU of 8woo by Molmil
Structure of the wild-type Arabidopsis ABCB19 in the brassinolide and AMP-PNP bound state
分子名称: ABC transporter B family member 19, Brassinolide, MAGNESIUM ION, ...
著者Ying, W, Wei, H, Liu, X, Sun, L.
登録日2023-10-07
公開日2024-03-13
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure and function of the Arabidopsis ABC transporter ABCB19 in brassinosteroid export.
Science, 383, 2024
8WOM
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BU of 8wom by Molmil
Structure of the wild-type Arabidopsis ABCB19 in the brassinolide-bound state
分子名称: ABC transporter B family member 19, Brassinolide
著者Ying, W, Wei, H, Liu, X, Sun, L.
登録日2023-10-07
公開日2024-03-13
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure and function of the Arabidopsis ABC transporter ABCB19 in brassinosteroid export.
Science, 383, 2024
8WP0
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BU of 8wp0 by Molmil
Structure of the Arabidopsis E529Q/E1174Q ABCB19 in the ATP bound state
分子名称: ABC transporter B family member 19, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Ying, W, Wei, H, Liu, X, Sun, L.
登録日2023-10-08
公開日2024-03-13
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure and function of the Arabidopsis ABC transporter ABCB19 in brassinosteroid export.
Science, 383, 2024
8WOI
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Structure of the wild-type Arabidopsis ABCB19 in the apo state
分子名称: ABC transporter B family member 19
著者Ying, W, Wei, H, Liu, X, Sun, L.
登録日2023-10-07
公開日2024-03-13
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure and function of the Arabidopsis ABC transporter ABCB19 in brassinosteroid export.
Science, 383, 2024
7YUZ
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BU of 7yuz by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784
分子名称: AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ...
著者Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T.
登録日2022-08-18
公開日2023-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.878 Å)
主引用文献Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
7YV1
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BU of 7yv1 by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab
分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ...
著者Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A.
登録日2022-08-18
公開日2023-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.454 Å)
主引用文献Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets.
J.Am.Chem.Soc., 145, 2023
7ZSD
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BU of 7zsd by Molmil
cryo-EM structure of omicron spike in complex with de novo designed binder, local
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder
著者Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
登録日2022-05-06
公開日2023-03-01
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
7ZSS
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BU of 7zss by Molmil
cryo-EM structure of D614 spike in complex with de novo designed binder
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, Spike glycoprotein, ...
著者Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
登録日2022-05-08
公開日2023-03-01
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
7ZRV
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BU of 7zrv by Molmil
cryo-EM structure of omicron spike in complex with de novo designed binder, full map
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, Spike glycoprotein,Envelope glycoprotein, ...
著者Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
登録日2022-05-05
公開日2023-03-08
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
3MBC
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BU of 3mbc by Molmil
Crystal structure of monomeric isocitrate dehydrogenase from Corynebacterium glutamicum in complex with NADP
分子名称: Isocitrate dehydrogenase [NADP], MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sidhu, N.S, Aich, S, Sheldrick, G.M, Delbaere, L.T.J.
登録日2010-03-25
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of a highly NADP+-specific isocitrate dehydrogenase.
Acta Crystallogr.,Sect.D, 67, 2011
4X6X
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BU of 4x6x by Molmil
Human soluble epoxide hydrolase in complex with a three substituted cyclopropane derivative
分子名称: 3-{4-[(1-{[(1s,2R,3S)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid, Bifunctional epoxide hydrolase 2
著者Chiyo, N, Takai, K, Ishii, T.
登録日2014-12-09
公開日2015-04-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
7ZVM
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BU of 7zvm by Molmil
Thermococcus barophilus phosphomannose isomerase protein structure at 1.6 A
分子名称: MAGNESIUM ION, Mannose-6-phosphate isomerase
著者Hoh, F, Calio, A.
登録日2022-05-16
公開日2022-08-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Unravelling the Adaptation Mechanisms to High Pressure in Proteins.
Int J Mol Sci, 23, 2022
7ZVY
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BU of 7zvy by Molmil
Thermococcus kadokarensis phosphomannose isomerase
分子名称: Cupin_2 domain-containing protein, ZINC ION
著者Hoh, f, Calio, A.
登録日2022-05-17
公開日2022-08-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Unravelling the Adaptation Mechanisms to High Pressure in Proteins.
Int J Mol Sci, 23, 2022
5HMX
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BU of 5hmx by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 10
分子名称: 2,2'-(5-(thiophen-2-yl)-1,3-phenylene)diacetic acid, RNA-directed RNA polymerase NS5, ZINC ION
著者Noble, C.G.
登録日2016-01-17
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design
J.Med.Chem., 59, 2016
5HMZ
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BU of 5hmz by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 23
分子名称: 5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-N-(methylsulfonyl)benzamide, RNA-directed RNA polymerase NS5, ZINC ION
著者Noble, C.G.
登録日2016-01-17
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design
J.Med.Chem., 59, 2016
5HMY
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BU of 5hmy by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 15
分子名称: 2,2'-(5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-1,3-phenylene)diacetic acid, RNA-directed RNA polymerase NS5, ZINC ION
著者Noble, C.G.
登録日2016-01-17
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design.
J.Med.Chem., 59, 2016
5HMW
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BU of 5hmw by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 5
分子名称: 2,2'-biphenyl-3,5-diyldiacetic acid, RNA-directed RNA polymerase NS5, ZINC ION
著者Noble, C.G.
登録日2016-01-17
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design
J.Med.Chem., 59, 2016
6ZHX
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BU of 6zhx by Molmil
Cryo-EM structure of the regulatory linker of ALC1 bound to the nucleosome's acidic patch: nucleosome class.
分子名称: Chromodomain-helicase-DNA-binding protein 1-like, DNA (145-MER) Widom 601 sequence, Histone H2A type 1, ...
著者Bacic, L, Gaullier, G, Croll, T.I, Deindl, S.
登録日2020-06-24
公開日2020-12-23
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Mechanistic Insights into Regulation of the ALC1 Remodeler by the Nucleosome Acidic Patch.
Cell Rep, 33, 2020
6ZHY
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BU of 6zhy by Molmil
Cryo-EM structure of the regulatory linker of ALC1 bound to the nucleosome's acidic patch: hexasome class.
分子名称: Chromodomain-helicase-DNA-binding protein 1-like, DNA (110-MER) Widom 601 sequence, Histone H2A type 1, ...
著者Bacic, L, Gaullier, G, Deindl, S.
登録日2020-06-24
公開日2020-12-23
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Mechanistic Insights into Regulation of the ALC1 Remodeler by the Nucleosome Acidic Patch.
Cell Rep, 33, 2020
2RRA
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BU of 2rra by Molmil
Solution structure of RNA binding domain in human Tra2 beta protein in complex with RNA (GAAGAA)
分子名称: 5'-R(*GP*AP*AP*GP*AP*A)-3', cDNA FLJ40872 fis, clone TUTER2000283, ...
著者Tsuda, K, Kuwasako, K, Takahashi, M, Someya, T, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Sugano, S, Muto, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2010-06-17
公開日2011-04-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis for the dual RNA-recognition modes of human Tra2-beta RRM.
Nucleic Acids Res., 39, 2011

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