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6MIY
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Crystal structure of the mCD1d/xxa (JJ239)/iNKTCR ternary complex
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, Antigen-presenting glycoprotein CD1d1, ...
著者Zajonc, D.M, Bitra, A, Janssens, J.
登録日2018-09-20
公開日2019-01-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies.
ChemMedChem, 14, 2019
6MJJ
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Crystal structure of the mCD1d/xxm (JJ290) /iNKTCR ternary complex
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Zajonc, D.M, Bitra, A, Janssens, J.
登録日2018-09-21
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies.
ChemMedChem, 14, 2019
6F0J
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GLIC mutant E26A
分子名称: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Hu, H.D, Delarue, M.
登録日2017-11-20
公開日2018-01-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
6F13
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GLIC mutant E75A
分子名称: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Hu, H.D, Delarue, M.
登録日2017-11-21
公開日2018-01-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
6F83
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Crystal Structure of Human Galectin-1 in Complex With Thienyl-1,2, 3-triazolyl Thiodigalactoside Inhibitor
分子名称: 3-deoxy-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-1-thio-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranoside, Galectin-1
著者Collins, P.M, Blanchard, H.
登録日2017-12-12
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Aromatic heterocycle galectin-1 interactions for selective single-digit nM affinity ligands
To be published
6MST
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Cryo-EM structure of human AA amyloid fibril
分子名称: Serum amyloid A-1 protein
著者Loerch, S, Rennegarbe, M, Liberta, F, Grigorieff, N, Fandrich, M, Schmidt, M.
登録日2018-10-18
公開日2019-03-13
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM fibril structures from systemic AA amyloidosis reveal the species complementarity of pathological amyloids.
Nat Commun, 10, 2019
6FHB
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Death-associated Protein Kinase 1 (DAPK1) catalytic and auto-regulatory domains with S289A and S308E mutations
分子名称: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Huart, A.-S, Wilmanns, M.
登録日2018-01-12
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Molecular mechanisms behind DAPK regulation: how phosphorylation switches work
To Be Published
7KTX
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Cryo-EM structure of Saccharomyces cerevisiae ER membrane protein complex bound to a Fab in DDM detergent
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ER membrane protein complex subunit 1, ER membrane protein complex subunit 2, ...
著者Miller-Vedam, L.E, Schirle Oakdale, N.S, Braeuning, B, Boydston, E.A, Sevillano, N, Popova, K.D, Bonnar, J.L, Shurtleff, M.J, Prabu, J.R, Stroud, R.M, Craik, C.S, Schulman, B.A, Weissman, J.S, Frost, A.
登録日2020-11-24
公開日2020-12-02
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural and mechanistic basis of the EMC-dependent biogenesis of distinct transmembrane clients.
Elife, 9, 2020
7SHE
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Cryo-EM structure of human GPR158
分子名称: (2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, ...
著者Patil, D.N, Singh, S, Singh, A.K, Martemyanov, K.A.
登録日2021-10-08
公開日2021-12-01
最終更新日2022-01-19
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM structure of human GPR158 receptor coupled to the RGS7-G beta 5 signaling complex.
Science, 375, 2022
6MK1
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Cryo-EM of self-assembly peptide filament HEAT_R1
分子名称: peptide HEAT_R1
著者Wang, F, Hughes, S.A, Orlova, A, Conticello, V.P, Egelman, E.H.
登録日2018-09-24
公開日2019-06-26
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Ambidextrous helical nanotubes from self-assembly of designed helical hairpin motifs.
Proc.Natl.Acad.Sci.USA, 116, 2019
6FL9
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BU of 6fl9 by Molmil
The active form of a pentameric ion channel (sTeLIC) gated by alkaline pH - Wild type 2.3 Angstrom resolution
分子名称: Cys-loop ligand-gated ion channel, TETRAETHYLENE GLYCOL, nonyl beta-D-glucopyranoside
著者Hu, H, Delarue, M.
登録日2018-01-25
公開日2018-05-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of a pentameric ion channel gated by alkaline pH show a widely open pore and identify a cavity for modulation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7SHF
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BU of 7shf by Molmil
Cryo-EM structure of GPR158 coupled to the RGS7-Gbeta5 complex
分子名称: (2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, ...
著者Patil, D.N, Singh, S, Singh, A.K, Martemyanov, K.A.
登録日2021-10-08
公開日2021-12-01
最終更新日2022-01-19
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM structure of human GPR158 receptor coupled to the RGS7-G beta 5 signaling complex.
Science, 375, 2022
6FEQ
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BU of 6feq by Molmil
Structure of inhibitor-bound ABCG2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ...
著者Jackson, S.M, Manolaridis, I, Kowal, J, Zechner, M, Altmann, K.H, Locher, K.P.
登録日2018-01-03
公開日2018-04-11
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis of small-molecule inhibition of human multidrug transporter ABCG2.
Nat. Struct. Mol. Biol., 25, 2018
6FHA
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Death-associated Protein Kinase 1 (DAPK1) catalytic and auto-regulatory domains with S289A and S308A mutations
分子名称: Death-associated protein kinase 1
著者Huart, A.-S, Wilmanns, M.
登録日2018-01-12
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular mechanisms behind DAPK regulation: how phosphorylation switches work
To Be Published
6MNZ
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Crystal structure of RibBX, a two domain 3,4-dihydroxy-2-butanone 4-phosphate synthase from A. baumannii.
分子名称: 3,4-dihydroxy-2-butanone 4-phosphate synthase, CHLORIDE ION, SULFATE ION
著者Wang, J, Gonzalez-Gutierrez, G, Giedroc, D.P.
登録日2018-10-03
公開日2019-04-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Multi-metal Restriction by Calprotectin Impacts De Novo Flavin Biosynthesis in Acinetobacter baumannii.
Cell Chem Biol, 26, 2019
6MR7
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BU of 6mr7 by Molmil
DNA polymerase beta substrate complex with templating adenine and incoming Fapy-dGTP analog
分子名称: 1,2-ETHANEDIOL, 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol, CALCIUM ION, ...
著者Freudenthal, B.D, Smith, M.R, Wilson, S.H, Beard, W.A.
登録日2018-10-11
公開日2019-01-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.144 Å)
主引用文献A guardian residue hinders insertion of a Fapy•dGTP analog by modulating the open-closed DNA polymerase transition.
Nucleic Acids Res., 47, 2019
6FJY
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Crystal structure of CsuC-CsuE chaperone-tip adhesion subunit pre-assembly complex from archaic chaperone-usher Csu pili of Acinetobacter baumannii
分子名称: CsuC, Protein CsuE
著者Pakharukova, N.A, Tuitilla, M, Paavilainen, S, Zavialov, A.V.
登録日2018-01-23
公開日2018-05-16
最終更新日2018-09-19
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural basis forAcinetobacter baumanniibiofilm formation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6MVG
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BU of 6mvg by Molmil
Crystal structure of FMN-binding beta-glucuronidase from Ruminococcus gnavus
分子名称: CALCIUM ION, FLAVIN MONONUCLEOTIDE, beta-glucuronidase
著者Pellock, S.J, Redinbo, M.R.
登録日2018-10-25
公開日2019-01-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and Characterization of FMN-Binding beta-Glucuronidases in the Human Gut Microbiome.
J. Mol. Biol., 431, 2019
6FNI
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BU of 6fni by Molmil
Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with NVP-BHG712
分子名称: 4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-B receptor 4
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H.
登録日2018-02-04
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.468 Å)
主引用文献NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
6FNH
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with a pyrazolo[3,4-d]pyrimidine fragment of NVP-BHG712
分子名称: 1,2-ETHANEDIOL, 1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-02-04
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.379 Å)
主引用文献NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
6N4D
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The crystal structure of neuramindase from A/canine/IL/11613/2015 (H3N2) influenza virus.
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, CALCIUM ION, ...
著者Yang, H, Stevens, J.
登録日2018-11-19
公開日2019-01-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Assessment of Molecular, Antigenic, and Pathological Features of Canine Influenza A(H3N2) Viruses That Emerged in the United States.
J. Infect. Dis., 216, 2017
6FNG
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with an isomer of NVP-BHG712
分子名称: 1,2-ETHANEDIOL, 4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-02-04
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.038 Å)
主引用文献NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
6FNM
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Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with Dasatinib
分子名称: Ephrin type-B receptor 4, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H.
登録日2018-02-04
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.157 Å)
主引用文献NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
7S5Q
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BU of 7s5q by Molmil
Crystal structure of SARS-CoV-2 B.1.351 variant receptor binding domain in complex with neutralizing antibodies CS44 and COVA1-16
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 Heavy chain, ...
著者Yuan, M, Wilson, I.A.
登録日2021-09-11
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献SARS-CoV-2 Beta variant infection elicits potent lineage-specific and cross-reactive antibodies.
Science, 375, 2022
7S5R
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Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibodies CV07-287 and COVA1-16
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 Heavy chain, ...
著者Yuan, M, Wilson, I.A.
登録日2021-09-11
公開日2022-03-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献SARS-CoV-2 Beta variant infection elicits potent lineage-specific and cross-reactive antibodies.
Science, 375, 2022

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