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8EC5
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Structures of HLA-B8E76C loaded with long peptides reveal novel features at the N-terminus of the groove
分子名称: Beta-2-microglobulin, MHC class I antigen, peptide RARARARARARAFVKKKYCL
著者Li, L, Bouvier, M.
登録日2022-09-01
公開日2023-07-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Crystal structures of MHC class I complexes reveal the elusive intermediate conformations explored during peptide editing.
Nat Commun, 14, 2023
8E13
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BU of 8e13 by Molmil
Structures of HLA-B8E76C loaded with long peptides reveal novel features at the N-terminus of the groove
分子名称: Beta-2-microglobulin, MHC class I antigen, PHE-ALA-LYS-LYS-LYS-TYR-CYS-LEU
著者Li, L, Bouvier, M.
登録日2022-08-09
公開日2023-07-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Crystal structures of MHC class I complexes reveal the elusive intermediate conformations explored during peptide editing.
Nat Commun, 14, 2023
8E8I
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Structures of HLA-B8E76C loaded with long peptides reveal novel features at the N-terminus of the groove
分子名称: Beta-2-microglobulin, MHC class I antigen, PHE-VAL-LYS-LYS-LYS-TYR-CYS-LEU
著者Li, L, Bouvier, M.
登録日2022-08-25
公開日2023-07-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Crystal structures of MHC class I complexes reveal the elusive intermediate conformations explored during peptide editing.
Nat Commun, 14, 2023
8EB5
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Tandem of Hermes transposase BED domain in complex with the quasi palindrome of its transposon left-end
分子名称: Hermes transposase BED domain, Hermes transposon left-end subterminal repeats 1 and 2, ZINC ION
著者Lannes, L, Dyda, F.
登録日2022-08-30
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Zinc-finger BED domains drive the formation of the active Hermes transpososome by asymmetric DNA binding.
Nat Commun, 14, 2023
7XTQ
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BU of 7xtq by Molmil
Cryo-EM structure of the R399-bound GPBAR-Gs complex
分子名称: G-protein coupled bile acid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Ma, L, Yang, F, Wu, X, Mao, C, Sun, J, Yu, X, Zhang, Y, Zhang, P.
登録日2022-05-17
公開日2022-07-06
最終更新日2022-08-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis and molecular mechanism of biased GPBAR signaling in regulating NSCLC cell growth via YAP activity.
Proc.Natl.Acad.Sci.USA, 119, 2022
6Q4X
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BU of 6q4x by Molmil
Structure of MPT-2, a GDP-Man-dependent mannosyltransferase from Leishmania mexicana
分子名称: SODIUM ION, Uncharacterized protein
著者Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J.
登録日2018-12-06
公開日2019-09-18
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.
Cell Host Microbe, 26, 2019
7XRP
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BU of 7xrp by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with nanobody C5G2 (localized refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C5G2 nanobody, Spike protein S1
著者Liu, L, Sun, H, Jiang, Y, Liu, X, Zhao, D, Zheng, Q, Li, S, Xia, N.
登録日2022-05-11
公開日2022-10-05
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献A potent synthetic nanobody with broad-spectrum activity neutralizes SARS-CoV-2 virus and the Omicron variant BA.1 through a unique binding mode.
J Nanobiotechnology, 20, 2022
6C42
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BU of 6c42 by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1156
分子名称: (2R,3S,4R)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2H-1-benzopyran-7-ol, Estrogen receptor
著者Fanning, S.W, Hodges-Gallager, L, Myles, D.C, Sun, R, Fowler, C.E, Green, B.D, Harmon, C.L, Greene, G.L, Kushner, P.J.
登録日2018-01-11
公開日2018-02-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity.
Nat Commun, 9, 2018
8EDG
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BU of 8edg by Molmil
Cryo-EM structure of the Hermes transposase bound to two left-ends of its DNA transposon
分子名称: DNA (46-MER), DNA (5'-D(*GP*CP*GP*TP*GP*AP*A)-3'), DNA (55-MER), ...
著者Lannes, L, Dyda, F.
登録日2022-09-04
公開日2023-08-02
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (4.64 Å)
主引用文献Zinc-finger BED domains drive the formation of the active Hermes transpososome by asymmetric DNA binding.
Nat Commun, 14, 2023
4AQD
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BU of 4aqd by Molmil
Crystal structure of fully glycosylated human butyrylcholinesterase
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brazzolotto, X, Wandhammer, M, Ronco, C, Trovaslet, M, Jean, L, Lockridge, O, Renard, P.Y, Nachon, F.
登録日2012-04-16
公開日2012-07-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human butyrylcholinesterase produced in insect cells: huprine-based affinity purification and crystal structure.
FEBS J., 279, 2012
4A23
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BU of 4a23 by Molmil
Mus musculus Acetylcholinesterase in complex with racemic C5685
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(DIMETHYLAMINO)-N-{[(2R)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, 4-(DIMETHYLAMINO)-N-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, ...
著者Berg, L, Andersson, C.D, Artrursson, E, Hornberg, A, Tunemalm, A.K, Linusson, A, Ekstrom, F.
登録日2011-09-22
公開日2011-12-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeting Acetylcholinesterase: Identification of Chemical Leads by High Throughput Screening, Structure Determination and Molecular Modeling.
Plos One, 6, 2011
8E2Z
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BU of 8e2z by Molmil
Structures of HLA-B8E76C loaded with long peptides reveal novel features at the N-terminus of the groove
分子名称: ALA-PHE-ALA-LYS-LYS-LYS-TYR-CYS-LEU, Beta-2-microglobulin, MHC class I protein (Fragment)
著者Li, L, Bouvier, M.
登録日2022-08-16
公開日2023-08-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Crystal structures of MHC class I complexes reveal the elusive intermediate conformations explored during peptide editing.
Nat Commun, 14, 2023
4AJD
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BU of 4ajd by Molmil
Identification and structural characterization of PDE10 fragment inhibitors
分子名称: 2-ETHYL-4-METHYL-PHTHALAZIN-1-ONE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ...
著者Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S.
登録日2012-02-16
公開日2013-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
4APP
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BU of 4app by Molmil
Crystal Structure of the Human p21-Activated Kinase 4 in Complex with (S)-N-(5-(3-benzyl-1-methylpiperazine-4-carbonyl)-6,6-dimethyl-1,4,5, 6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-3-phenoxybenzamide
分子名称: GLYCEROL, N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide, SERINE/THREONINE-PROTEIN KINASE PAK 4
著者Knighton, D.D, Deng, Y.L, Wang, C, Guo, C, McAlpine, I, Zhang, J, Kephart, S, Johnson, M.C, Li, H, Bouzida, D, Yang, A, Dong, L, Marakovits, J, Tikhe, J, Richardson, P, Guo, L.C, Kania, R, Edwards, M.P, Kraynov, E, Christensen, J, Piraino, J, Lee, J, Dagostino, E, Del-Carmen, C, Smeal, T, Murray, B.W.
登録日2012-04-04
公開日2012-06-06
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Pyrroloaminopyrazoles as Novel Pak Inhibitors.
J.Med.Chem., 55, 2012
473D
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BU of 473d by Molmil
NI2+/GUANINE INTERACTIONS AND NETROPSIN/GUANINE STACKING IN D(CGTATATACG)2
分子名称: DNA (5'-D(*CP*GP*TP*AP*TP*AP*TP*AP*CP*G)-3'), NETROPSIN, NICKEL (II) ION
著者Abrescia, N.G.A, Malinina, L, Subirana, J.A.
登録日1999-05-18
公開日1999-12-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Stacking interaction of guanine with netropsin in the minor groove of d(CGTATATACG)2.
J.Mol.Biol., 294, 1999
8E7I
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BU of 8e7i by Molmil
Cryo-EM structure of cardiac amyloid fibril from a variant ATTR P24S amyloidosis patient
分子名称: Transthyretin protein
著者Nguyen, B.A, Saelices, L.
登録日2022-08-24
公開日2023-08-30
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Cardiac amyloid fibrils extracted from a variant ATTR P24S amyloidosis patient
To Be Published
8E7H
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BU of 8e7h by Molmil
Cryo-EM structure of cardiac amyloid fibril from a wild-type amyloidosis patient
分子名称: Transthyretin
著者Nguyen, B.A, Saelices, L.
登録日2022-08-23
公開日2023-08-30
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cardiac amyloid fibrils extracted from a wild-type ATTR amyloidosis patient
To Be Published
6Q8A
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BU of 6q8a by Molmil
Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with 5'-O-(N-(L-Leucyl)-Sulfamoyl)Cytidine
分子名称: 5'-O-(N-(L-Leucyl)-Sulfamoyl)Cytidine, Leucine--tRNA ligase, MAGNESIUM ION, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2018-12-14
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases.
Eur.J.Med.Chem., 173, 2019
4ACJ
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BU of 4acj by Molmil
Crystal structure of the TLDC domain of Oxidation resistance protein 2 from zebrafish
分子名称: WU:FB25H12 PROTEIN,
著者Blaise, M, B Alsarraf, H.M.A, Wong, J.E.M.M, Midtgaard, S.R, Laroche, F, Schack, L, Spaink, H, Stougaard, J, Thirup, S.
登録日2011-12-15
公開日2012-02-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Crystal Structure of the Tldc Domain of Oxidation Resistance Protein 2 from Zebrafish.
Proteins, 80, 2012
6Q1R
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BU of 6q1r by Molmil
A hypothetical aminotransferase from Mycobacterium tuberculosis, PLP-bound form
分子名称: CITRIC ACID, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ...
著者Duan, L, Sacchettini, J.
登録日2019-08-05
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献A hypothetical aminotransferase from Mycobacterium tuberculosis
To Be Published
6Q3U
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BU of 6q3u by Molmil
Gly52Ala mutant of arginine-bound ArgBP from T. maritima
分子名称: ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein, ...
著者Balasco, N, Smaldone, G, Ruggiero, A, Vitagliano, L.
登録日2018-12-04
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献The characterization of Thermotoga maritima Arginine Binding Protein variants demonstrates that minimal local strains have an important impact on protein stability.
Sci Rep, 9, 2019
8E7D
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Cryo-EM structure of wild-type transthyretin amyloid from heart tissue
分子名称: Transthyretin
著者Nguyen, B.A, Saelices, L.
登録日2022-08-23
公開日2023-08-30
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Cardiac amyloid fibrils extracted from a wild-type ATTR amyloidosis patient
To Be Published
5WWD
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BU of 5wwd by Molmil
Crystal structure of AtNUDX1
分子名称: AMMONIUM ION, GLYCEROL, MAGNESIUM ION, ...
著者Liu, J, Guan, Z, Yan, L, Zou, T, Yin, P.
登録日2016-12-31
公開日2017-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.386 Å)
主引用文献Structural Insights into the Substrate Recognition Mechanism of Arabidopsis GPP-Bound NUDX1 for Noncanonical Monoterpene Biosynthesis.
Mol Plant, 11, 2018
8ECR
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BU of 8ecr by Molmil
KRAS4b WT 1-185 bound to GDP-Mg2+
分子名称: GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Betts, L, Rossman, K.L.
登録日2022-09-02
公開日2023-09-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献KRAS4b WT 1-185 bound to GDP-Mg2+
To Be Published
8EDY
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BU of 8edy by Molmil
KRAS4b A146T 1-185 bound to GDP
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE
著者Betts, L, Rossman, K.L.
登録日2022-09-06
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献KRAS4b A146T 1-185 bound to GDP
To Be Published

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