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4WVL
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BU of 4wvl by Molmil
Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Histone-lysine N-methyltransferase, ...
著者Xu, X, Dhe-Paganon, S, Blacklow, S.
登録日2014-11-06
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement.
Acs Chem.Biol., 10, 2015
5WY0
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BU of 5wy0 by Molmil
Crystal structure of the methyltranferase domain of human HEN1 in complex with AdoMet
分子名称: S-ADENOSYLMETHIONINE, Small RNA 2'-O-methyltransferase
著者Peng, L, Ma, J.B, Wu, L.G, Huang, Y.
登録日2017-01-10
公開日2018-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Identification of substrates of the small RNA methyltransferase Hen1 in mouse spermatogonial stem cells and analysis of its methyl-transfer domain
J. Biol. Chem., 293, 2018
6M1V
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BU of 6m1v by Molmil
Crystal structure of post fusion core of 2019-nCoV S2 subunit
分子名称: Spike protein S2,Spike protein S2
著者Sun, H, Song, H, Wang, Q.
登録日2020-02-26
公開日2020-06-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of HCoV-19 fusion core and an effective inhibition peptide against virus entry.
Emerg Microbes Infect, 9, 2020
7P32
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BU of 7p32 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with cyclosulfamidate 6
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Roig-Zamboni, V, Kok, K, Overkleeft, H, Artola, M, Sulzenbacher, G.
登録日2021-07-06
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease.
J.Am.Chem.Soc., 144, 2022
7P2Z
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BU of 7p2z by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with cyclosulfamidate 4
分子名称: (3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Roig-Zamboni, V, Kok, K, Overkleeft, H, Artola, M, Sulzenbacher, G.
登録日2021-07-06
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease.
J.Am.Chem.Soc., 144, 2022
4RME
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BU of 4rme by Molmil
Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB111 and coactivator peptide GRIP-1
分子名称: (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-(propan-2-yl)cyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Xia, G, Muccio, D.D.
登録日2014-10-21
公開日2015-09-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015
4RMD
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BU of 4rmd by Molmil
Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB110 and coactivator peptide GRIP-1
分子名称: (2E,4E,6Z,8E)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Xia, G, Muccio, D.D.
登録日2014-10-21
公開日2015-09-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015
4RMC
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BU of 4rmc by Molmil
Crystal Structure of human retinoid X receptor alpha-ligand binding domain complex with 9cUAB76 and the coactivator peptide GRIP-1
分子名称: (3S,7S,8E)-8-[3-ethyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethyloctanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
著者Xia, G, Muccio, D.D.
登録日2014-10-21
公開日2015-09-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015
4DMN
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BU of 4dmn by Molmil
HIV-1 Integrase Catalytical Core Domain
分子名称: (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid, ARSENIC, HIV-1 Integrase, ...
著者Feng, L, Kvaratskhelia, M.
登録日2012-02-08
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Multimode, cooperative mechanism of action of allosteric HIV-1 integrase inhibitors.
J.Biol.Chem., 287, 2012
4GLR
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BU of 4glr by Molmil
Structure of the anti-ptau Fab (pT231/pS235_1) in complex with phosphoepitope pT231/pS235
分子名称: PHOSPHATE ION, anti-ptau heavy chain, anti-ptau light chain, ...
著者Tu, C, Mosyak, L, Bard, J.
登録日2012-08-14
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An Ultra-specific Avian Antibody to Phosphorylated Tau Protein Reveals a Unique Mechanism for Phosphoepitope Recognition.
J.Biol.Chem., 287, 2012
6AJH
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BU of 6ajh by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with AU1235
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea, Drug exporters of the RND superfamily-like protein,Endolysin, ...
著者Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
登録日2018-08-27
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.818 Å)
主引用文献Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
5BK8
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BU of 5bk8 by Molmil
Cancer-associated SHP2/T507K mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Yu, Z.H, Zhang, R.Y, Zhang, Z.Y.
登録日2019-06-01
公開日2020-04-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Mechanistic insights explain the transforming potential of the T507K substitution in the protein-tyrosine phosphatase SHP2.
J.Biol.Chem., 295, 2020
6AJI
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BU of 6aji by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with Rimonabant
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ...
著者Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
登録日2018-08-27
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
8HSC
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BU of 8hsc by Molmil
Gi bound Orphan GPR20 complex with Fab046 in ligand-free state
分子名称: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Lin, X, Jiang, S, Xu, F.
登録日2022-12-19
公開日2023-03-08
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献The activation mechanism and antibody binding mode for orphan GPR20.
Cell Discov, 9, 2023
8HS3
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BU of 8hs3 by Molmil
Gi bound orphan GPR20 in ligand-free state
分子名称: Ggama, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Lin, X, Jiang, S, Xu, F.
登録日2022-12-16
公開日2023-03-08
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献The activation mechanism and antibody binding mode for orphan GPR20.
Cell Discov, 9, 2023
8HJ2
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BU of 8hj2 by Molmil
GPR21 wt with G15 complex
分子名称: 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Chen, B, Lin, X, Xu, F.
登録日2022-11-22
公開日2023-03-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
8HJ0
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BU of 8hj0 by Molmil
GPR21(m5) and G15 complex
分子名称: 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Chen, B, Lin, X.
登録日2022-11-22
公開日2023-03-15
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
8HIX
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BU of 8hix by Molmil
Cryo-EM structure of GPR21_m5_Gs
分子名称: 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Chen, B, Lin, X, Xu, F.
登録日2022-11-22
公開日2023-03-15
最終更新日2023-03-22
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
8HS2
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BU of 8hs2 by Molmil
Orphan GPR20 in complex with Fab046
分子名称: Light chain of Fab046, Soluble cytochrome b562,G-protein coupled receptor 20, heavy chain of Fab046
著者Lin, X, Jiang, S, Xu, F.
登録日2022-12-16
公開日2023-03-08
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献The activation mechanism and antibody binding mode for orphan GPR20.
Cell Discov, 9, 2023
1VHN
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BU of 1vhn by Molmil
Crystal structure of a putative flavin oxidoreductase with flavin
分子名称: FLAVIN MONONUCLEOTIDE, SULFATE ION, putative flavin oxidoreductase
著者Structural GenomiX
登録日2003-12-01
公開日2003-12-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献The 1.59 A resolution crystal structure of TM0096, a flavin mononucleotide binding protein from Thermotoga maritima.
Proteins, 55, 2004
3K1R
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BU of 3k1r by Molmil
Structure of harmonin NPDZ1 in complex with the SAM-PBM of Sans
分子名称: Harmonin, Usher syndrome type-1G protein
著者Pan, L, Yan, J, Zhang, M.
登録日2009-09-28
公開日2010-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure of the harmonin/sans complex reveals an unexpected interaction mode of the two Usher syndrome proteins
Proc.Natl.Acad.Sci.USA, 107, 2010
3V9R
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BU of 3v9r by Molmil
Crystal structure of Saccharomyces cerevisiae MHF complex
分子名称: SULFATE ION, Uncharacterized protein YDL160C-A, Uncharacterized protein YOL086W-A
著者Yang, H, Zhang, T, Zhong, C, Li, H, Zhou, J, Ding, J.
登録日2011-12-28
公開日2012-02-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Saccharomyces Cerevisiae MHF Complex Structurally Resembles the Histones (H3-H4)(2) Heterotetramer and Functions as a Heterotetramer
Structure, 20, 2012
5LSH
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BU of 5lsh by Molmil
human lysozyme in complex with a tetrasaccharide fragment of the O-chain of LPS from Klebsiella pneumoniae
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Zhang, R, Nifantiev, N.E, Krylov, V, Luetteke, T, Scheidig, A.J, Siebert, H.-C.
登録日2016-08-26
公開日2017-06-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.061 Å)
主引用文献Lysozyme's lectin-like characteristics facilitates its immune defense function.
Q. Rev. Biophys., 50, 2017
7UW6
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BU of 7uw6 by Molmil
The co-crystal structure of low molecular weight protein tyrosine phosphatase (LMW-PTP) with a small molecule inhibitor SPAA-2
分子名称: 2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethane-1-sulfonic acid, Low molecular weight phosphotyrosine protein phosphatase
著者Wang, J, Zhang, Z.Y.
登録日2022-05-02
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Based Design of Active-Site-Directed, Highly Potent, Selective, and Orally Bioavailable Low-Molecular-Weight Protein Tyrosine Phosphatase Inhibitors.
J.Med.Chem., 65, 2022
8GRY
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BU of 8gry by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with rat ACE2 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ...
著者Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F.
登録日2022-09-03
公開日2023-07-19
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023

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