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7Z62
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Structure of the LecA lectin from Pseudomonas aeruginosa in complex with a biaryl-thiogalactoside
分子名称: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[1-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-oxane-3,4,5-triol, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Varrot, A.
登録日2022-03-10
公開日2023-01-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Discovery of potent 1,1-diarylthiogalactoside glycomimetic inhibitors of Pseudomonas aeruginosa LecA with antibiofilm properties.
Eur.J.Med.Chem., 247, 2022
9ES9
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Cryo-EM structure of Spinacia oleracea cytochrome b6f complex with inhibitor DBMIB bound at plastoquinol oxidation site
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2,5-DIBROMO-3-ISOPROPYL-6-METHYLBENZO-1,4-QUINONE, ...
著者Pietras, R, Pintscher, S, Mielecki, B, Szwalec, M, Wojcik-Augustyn, A, Indyka, P, Rawski, M, Koziej, L, Jaciuk, M, Wazny, G, Glatt, S, Osyczka, A.
登録日2024-03-25
公開日2024-10-16
最終更新日2024-11-27
実験手法ELECTRON MICROSCOPY (2.33 Å)
主引用文献Molecular basis of plastoquinone reduction in plant cytochrome b 6 f.
Nat.Plants, 10, 2024
9JER
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Arginine decarboxylase in Aspergillus oryzae, ligand-free form
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, L-tryptophan decarboxylase PsiD-like domain-containing protein
著者Mikami, B, Yasukawa, K, Fujiwara, S, Takita, T, Mizutani, K, Odagaki, Y, Murakami, Y.
登録日2024-09-03
公開日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unveiling the reaction mechanism of arginine decarboxylase in Aspergillus oryzae: Insights from crystal structure analysis.
Biochem.Biophys.Res.Commun., 733, 2024
5MCO
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CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE INHIBITOR GRL-8234 AND EXOSITE PEPTIDE
分子名称: BACE-1 EXOSITE PEPTIDE, Beta-secretase 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
著者Kuglstatter, A, Stihle, M, Benz, J.
登録日2016-11-10
公開日2017-09-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
EBioMedicine, 24, 2017
3KK3
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HIV-1 reverse transcriptase-DNA complex with GS-9148 terminated primer
分子名称: 5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*C*(URT))-3', 5'-D(*AP*TP*GP*GP*TP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ...
著者Lansdon, E.B.
登録日2009-11-04
公開日2010-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Visualizing the molecular interactions of a nucleotide analog, GS-9148, with HIV-1 reverse transcriptase-DNA complex.
J.Mol.Biol., 397, 2010
9F2I
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Crystal structure of SARS-CoV-2 N-protein C-terminal domain in complex with 2-amino-1,3-benzothiazol-6-ol
分子名称: 1,2-ETHANEDIOL, 2-amino-1,3-benzothiazol-6-ol, Nucleoprotein, ...
著者Marquez-Monino, M.A, Gonzalez, B, Perez-Canadillas, J.M.
登録日2024-04-23
公開日2024-11-13
最終更新日2025-01-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The ALS drug riluzole binds to the C-terminal domain of SARS-CoV-2 nucleocapsid protein and has antiviral activity.
Structure, 33, 2025
7QI6
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Human mitochondrial ribosome in complex with mRNA, A/P- and P/E-tRNAs at 2.98 A resolution
分子名称: 1,4-DIAMINOBUTANE, 12S mitochondrial rRNA, 16S mitochondrial rRNA, ...
著者Singh, V, Itoh, Y, Amunts, A.
登録日2021-12-14
公開日2023-05-17
最終更新日2024-07-31
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Mitoribosome structure with cofactors and modifications reveals mechanism of ligand binding and interactions with L1 stalk.
Nat Commun, 15, 2024
7QI5
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Human mitochondrial ribosome in complex with mRNA, A/A-, P/P- and E/E-tRNAs at 2.63 A resolution
分子名称: 1,4-DIAMINOBUTANE, 12S mitochondrial rRNA, 16S mitochondrial rRNA, ...
著者Singh, V, Itoh, Y, Amunts, A.
登録日2021-12-14
公開日2023-07-05
最終更新日2024-07-31
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献Mitoribosome structure with cofactors and modifications reveals mechanism of ligand binding and interactions with L1 stalk.
Nat Commun, 15, 2024
9IZF
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Cryo-EM structure of LPA1-Gi complex with LPA
分子名称: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 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Suzuki, S, Nishikawa, K, Kamegawa, A, Hiroaki, Y, Suzuki, H, Fujiyoshi, Y.
登録日2024-08-01
公開日2025-01-01
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Structural insights into the engagement of lysophosphatidic acid receptor 1 with different G proteins.
J.Struct.Biol., 217, 2024
7AEJ
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Crystal structure of asymmetric HIV-1 gp41 containing all membrane anchors
分子名称: 2H10, Envelope glycoprotein gp160,Envelope glycoprotein gp160
著者Caillat, C, Guilligay, D, Weissenhorn, W.
登録日2020-09-17
公開日2021-05-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structure of HIV-1 gp41 with its membrane anchors targeted by neutralizing antibodies.
Elife, 10, 2021
8VKM
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Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with mouse ACE2 (conformation 1)
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, Angiotensin-converting enzyme 2, ...
著者Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S.
登録日2024-01-09
公開日2024-02-14
最終更新日2025-02-26
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Altered receptor binding, antibody evasion and retention of T cell recognition by the SARS-CoV-2 XBB.1.5 spike protein.
Nat Commun, 15, 2024
9IZG
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Cryo-EM structure of LPA1-Gq complex with LPA
分子名称: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Suzuki, S, Nishikawa, K, Kmegawa, A, Hiroaki, Y, Suzuki, H, Fujiyoshi, Y.
登録日2024-08-01
公開日2025-01-01
最終更新日2025-01-15
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structural insights into the engagement of lysophosphatidic acid receptor 1 with different G proteins.
J.Struct.Biol., 217, 2024
9EU0
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BU of 9eu0 by Molmil
Crystal structure of Danio rerio HDAC6 CD2 in complex with hydrolyzed DFMO-inhibitor (ITF7209)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone deacetylase 6, POTASSIUM ION, ...
著者Bebel, A, Cellupica, E, Stevenazzi, A, Sandrone, G, Vergani, B, Caprini, G.
登録日2024-03-27
公開日2024-12-04
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Mechanistic and Structural Insights on Difluoromethyl-1,3,4-oxadiazole Inhibitors of HDAC6.
Int J Mol Sci, 25, 2024
8VKN
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Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with mouse ACE2 (focused refinement of RBD and mouse ACE2)
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, Angiotensin-converting enzyme 2, ...
著者Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S.
登録日2024-01-09
公開日2024-02-14
最終更新日2025-02-26
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Altered receptor binding, antibody evasion and retention of T cell recognition by the SARS-CoV-2 XBB.1.5 spike protein.
Nat Commun, 15, 2024
3L22
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BU of 3l22 by Molmil
CRYSTAL STRUCTURE OF A SUSD SUPERFAMILY PROTEIN (BF_0597) FROM BACTEROIDES FRAGILIS AT 2.05 A RESOLUTION
分子名称: 1,2-ETHANEDIOL, ACETATE ION, SusD superfamily protein, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2009-12-14
公開日2010-01-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of SusD superfamily protein (YP_210307.1) from Bacteroides fragilis NCTC 9343 at 2.05 A resolution
To be published
9IZH
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BU of 9izh by Molmil
Cryo-EM structure of LPA1-G13 complex with LPA
分子名称: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, G protein subunit 13 (Gi2-mini-G13 chimera), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Suzuki, S, Nishikawa, K, Kamegawa, A, Hiroaki, Y, Suzuki, H, Fujiyoshi, Y.
登録日2024-08-01
公開日2025-01-01
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structural insights into the engagement of lysophosphatidic acid receptor 1 with different G proteins.
J.Struct.Biol., 217, 2024
9JHA
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X-ray structure of the Haloalkane dehalogenase HaloTag7 labeled with BD626-HTL substrate
分子名称: 1,2-ETHANEDIOL, 4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[10,10-dimethyl-3-[(1~{R},5~{S})-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-6-[(1~{R},5~{S})-3-oxa-8-azoniabicyclo[3.2.1]octan-8-ylidene]anthracen-9-yl]benzoic acid, CHLORIDE ION, ...
著者Zhixing, C, Kecheng, Z.
登録日2024-09-09
公開日2025-01-01
最終更新日2025-06-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A palette of bridged bicycle-strengthened fluorophores.
Nat.Methods, 22, 2025
8VKL
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Cryo-EM structure of SARS-CoV-2 XBB.1.5 spike protein in complex with mouse ACE2 (conformation 2)
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, Angiotensin-converting enzyme 2, ...
著者Zhu, X, Mannar, D, Saville, J, Poloni, C, Bezeruk, A, Tidey, K, Ahmed, S, Tuttle, K, Vahdatihassani, F, Cholak, S, Cook, L, Steiner, T.S, Subramaniam, S.
登録日2024-01-09
公開日2024-02-14
最終更新日2025-02-26
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献Altered receptor binding, antibody evasion and retention of T cell recognition by the SARS-CoV-2 XBB.1.5 spike protein.
Nat Commun, 15, 2024
6A1I
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Crystal structure of a synthase 1 from Santalum album
分子名称: CARBONATE ION, GLYCEROL, NICKEL (II) ION, ...
著者Han, X, Ko, T.P, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-06-07
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of a synthase 1 from Santalum album in complex with ligand
To Be Published
8SVY
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MBP-Mcl1 in complex with ligand 10
分子名称: (15P)-17-chloro-33-fluoro-12-[(2-methoxyethoxy)methyl]-5,14,22-trimethyl-28-oxa-9-thia-5,6,13,14,22-pentaazaheptacyclo[27.7.1.1~4,7~.0~11,15~.0~16,21~.0~20,24~.0~30,35~]octatriaconta-1(36),4(38),6,11(15),12,16,18,20,23,29(37),30,32,34-tridecaene-23-carboxylic acid, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Miller, B.R, Shaffer, P.
登録日2023-05-17
公開日2023-08-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Macrocyclic Carbon-Linked Pyrazoles As Novel Inhibitors of MCL-1.
Acs Med.Chem.Lett., 14, 2023
7QNW
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The receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with Beta-55 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Beta-55 heavy chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2021-12-23
公開日2022-01-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
6DOK
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Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 25 mM K+ for 120 s at 21 C (dataset 1)
分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), 5'-R(P*CP*G)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
5GLF
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BU of 5glf by Molmil
Structural insights into the interaction of p97 N-terminal domain and SHP motif in Derlin-1 rhomboid pseudoprotease
分子名称: Derlin-1, Transitional endoplasmic reticulum ATPase
著者Lim, J.J, Lee, Y, Yoon, S.Y, Ly, T.T, Kang, J.Y, Youn, H.-S, An, J.Y, Lee, J.-G, Park, K.R, Kim, T.G, Yang, J.K, Jun, Y, Eom, S.H.
登録日2016-07-11
公開日2016-11-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural insights into the interaction of human p97 N-terminal domain and SHP motif in Derlin-1 rhomboid pseudoprotease.
FEBS Lett., 590, 2016
9F3Q
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Poliovirus type 1 (strain Mahoney) stabilised virus-like particle (PV1 SC6b) in complex with GPP3 and GSH.
分子名称: 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, Capsid protein VP0, Capsid protein VP1, ...
著者Bahar, M.W, Nasta, V, Sherry, L, Stonehouse, N.J, Rowlands, D.J, Fry, E.E, Stuart, D.I.
登録日2024-04-25
公開日2025-01-29
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献Recombinant expression systems for production of stabilised virus-like particles as next-generation polio vaccines.
Nat Commun, 16, 2025
5WCZ
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Crystal Structure of Wild-Type MalL from Bacillus subtilis with TS analogue 1-deoxynojirimycin
分子名称: 1-DEOXYNOJIRIMYCIN, GLYCEROL, Oligo-1,6-glucosidase 1
著者Arcus, V.L, Prentice, E.J.
登録日2017-07-03
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Dynamical origins of heat capacity changes in enzyme-catalysed reactions.
Nat Commun, 9, 2018

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