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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
Descriptor: 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, ...
Authors:Song, H, Zhao, Z, Qi, J, Gao, F, Gao, F.G.
Deposit date:2019-03-20
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.495 Å)
Cite: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
Descriptor: CALCIUM ION, E3 ubiquitin-protein ligase CBL-B, MAGNESIUM ION, ...
Authors:Yu, C, Murray, J, Hsu, P.L.
Deposit date:2024-01-31
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.76 Å)
Cite: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
Descriptor: (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, ...
Authors:Yu, C, Murray, J, Hsu, P.L.
Deposit date:2024-01-31
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nectin-2, Transmembrane protein PVRIG
Authors:Hu, S.T, Han, P, Wang, H, Qi, J.X.
Deposit date:2023-11-21
Release date:2024-04-24
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 9 Mer Peptide (RL9) From Histone H2A.x, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Wang, Q, Song, H, Qi, J, Gao, G.F.
Deposit date:2018-08-04
Release date:2019-07-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.303 Å)
Cite: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
Descriptor: ABC transporter B family member 19, Brassinolide, MAGNESIUM ION, ...
Authors:Ying, W, Wei, H, Liu, X, Sun, L.
Deposit date:2023-10-07
Release date:2024-03-13
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite: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
Descriptor: ABC transporter B family member 19, Brassinolide
Authors:Ying, W, Wei, H, Liu, X, Sun, L.
Deposit date:2023-10-07
Release date:2024-03-13
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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
Descriptor: ABC transporter B family member 19, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Ying, W, Wei, H, Liu, X, Sun, L.
Deposit date:2023-10-08
Release date:2024-03-13
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure and function of the Arabidopsis ABC transporter ABCB19 in brassinosteroid export.
Science, 383, 2024
8WOI
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BU of 8woi by Molmil
Structure of the wild-type Arabidopsis ABCB19 in the apo state
Descriptor: ABC transporter B family member 19
Authors:Ying, W, Wei, H, Liu, X, Sun, L.
Deposit date:2023-10-07
Release date:2024-03-13
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ...
Authors:Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T.
Deposit date:2022-08-18
Release date:2023-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.878 Å)
Cite: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
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ...
Authors:Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A.
Deposit date:2022-08-18
Release date:2023-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.454 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder
Authors: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.
Deposit date:2022-05-06
Release date:2023-03-01
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite: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
Descriptor: 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, ...
Authors: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.
Deposit date:2022-05-08
Release date:2023-03-01
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite: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
Descriptor: 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, ...
Authors: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.
Deposit date:2022-05-05
Release date:2023-03-08
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite: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
Descriptor: Isocitrate dehydrogenase [NADP], MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sidhu, N.S, Aich, S, Sheldrick, G.M, Delbaere, L.T.J.
Deposit date:2010-03-25
Release date:2011-04-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 3-{4-[(1-{[(1s,2R,3S)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid, Bifunctional epoxide hydrolase 2
Authors:Chiyo, N, Takai, K, Ishii, T.
Deposit date:2014-12-09
Release date:2015-04-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: MAGNESIUM ION, Mannose-6-phosphate isomerase
Authors:Hoh, F, Calio, A.
Deposit date:2022-05-16
Release date:2022-08-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.58 Å)
Cite: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
Descriptor: Cupin_2 domain-containing protein, ZINC ION
Authors:Hoh, f, Calio, A.
Deposit date:2022-05-17
Release date:2022-08-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.16 Å)
Cite: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
Descriptor: 2,2'-(5-(thiophen-2-yl)-1,3-phenylene)diacetic acid, RNA-directed RNA polymerase NS5, ZINC ION
Authors:Noble, C.G.
Deposit date:2016-01-17
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 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
Authors:Noble, C.G.
Deposit date:2016-01-17
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite: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
Descriptor: 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
Authors:Noble, C.G.
Deposit date:2016-01-17
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 2,2'-biphenyl-3,5-diyldiacetic acid, RNA-directed RNA polymerase NS5, ZINC ION
Authors:Noble, C.G.
Deposit date:2016-01-17
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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.
Descriptor: Chromodomain-helicase-DNA-binding protein 1-like, DNA (145-MER) Widom 601 sequence, Histone H2A type 1, ...
Authors:Bacic, L, Gaullier, G, Croll, T.I, Deindl, S.
Deposit date:2020-06-24
Release date:2020-12-23
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite: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.
Descriptor: Chromodomain-helicase-DNA-binding protein 1-like, DNA (110-MER) Widom 601 sequence, Histone H2A type 1, ...
Authors:Bacic, L, Gaullier, G, Deindl, S.
Deposit date:2020-06-24
Release date:2020-12-23
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite: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)
Descriptor: 5'-R(*GP*AP*AP*GP*AP*A)-3', cDNA FLJ40872 fis, clone TUTER2000283, ...
Authors: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)
Deposit date:2010-06-17
Release date:2011-04-27
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural basis for the dual RNA-recognition modes of human Tra2-beta RRM.
Nucleic Acids Res., 39, 2011

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數據於2024-10-16公開中

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