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8H7L
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BU of 8h7l by Molmil
Cryo-EM Structure of SARS-CoV-2 BA.2 Spike protein in complex with BA7535
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, BA7535 fab heavt chain, ...
著者Liu, Z, Yan, A, Gao, Y.
登録日2022-10-20
公開日2023-08-30
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (2.44 Å)
主引用文献Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants.
Nat Commun, 15, 2024
6JSJ
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BU of 6jsj by Molmil
Structural analysis of a trimeric assembly of the mitochondrial dynamin-like GTPase Mgm1
分子名称: Dynamin-like GTPase MGM1, mitochondrial, GUANOSINE-5'-DIPHOSPHATE, ...
著者Yan, L, Li, L.
登録日2019-04-08
公開日2020-02-19
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural analysis of a trimeric assembly of the mitochondrial dynamin-like GTPase Mgm1.
Proc.Natl.Acad.Sci.USA, 117, 2020
6K41
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BU of 6k41 by Molmil
cryo-EM structure of alpha2BAR-GoA complex
分子名称: 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, Alpha-2A adrenergic receptor,Endolysin,Alpha-2B adrenergic receptor,Alpha-2B adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Yuan, D, Liu, Z, Wang, H.W, Kobilka, B.K.
登録日2019-05-23
公開日2020-04-15
最終更新日2020-05-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Activation of the alpha2Badrenoceptor by the sedative sympatholytic dexmedetomidine.
Nat.Chem.Biol., 16, 2020
5V9O
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BU of 5v9o by Molmil
KRAS G12C inhibitor
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Westover, K, Lu, J.
登録日2017-03-23
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Potent and Selective Covalent Quinazoline Inhibitors of KRAS G12C.
Cell Chem Biol, 24, 2017
6KMO
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BU of 6kmo by Molmil
Crystal structure of a novel esterase CinB from Enterobacter asburiae
分子名称: Alpha/beta hydrolase
著者Shang, F, Xu, Y.
登録日2019-07-31
公開日2019-09-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural and functional analyses of the lipase CinB from Enterobacter asburiae.
Biochem.Biophys.Res.Commun., 519, 2019
6K42
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BU of 6k42 by Molmil
cryo-EM structure of alpha2BAR-Gi1 complex
分子名称: 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, Alpha-2A adrenergic receptor,Endolysin,Alpha-2B adrenergic receptor,Alpha-2B adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Yuan, D, Liu, Z, Wang, H.W, Kobilka, B.K.
登録日2019-05-23
公開日2020-04-15
最終更新日2020-05-13
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Activation of the alpha2Badrenoceptor by the sedative sympatholytic dexmedetomidine.
Nat.Chem.Biol., 16, 2020
5V9L
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BU of 5v9l by Molmil
KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Westover, K, Lu, J.
登録日2017-03-23
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Potent and Selective Covalent Quinazoline Inhibitors of KRAS G12C.
Cell Chem Biol, 24, 2017
4J72
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BU of 4j72 by Molmil
Crystal Structure of polyprenyl-phosphate N-acetyl hexosamine 1-phosphate transferase
分子名称: MAGNESIUM ION, NICKEL (II) ION, Phospho-N-acetylmuramoyl-pentapeptide-transferase
著者Lee, S.Y, Chung, B.C, Gillespie, R.A, Kwon, D.Y, Guan, Z, Zhou, P, Hong, J.
登録日2013-02-12
公開日2013-09-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of MraY, an essential membrane enzyme for bacterial cell wall synthesis.
Science, 341, 2013
5UB6
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BU of 5ub6 by Molmil
XAC2383 from Xanthomonas citri bound to pyrophosphate
分子名称: PYROPHOSPHATE 2-, Phosphate-binding protein
著者Teixeira, R.D, Guzzo, C.R, Farah, C.S.
登録日2016-12-20
公開日2018-01-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A bipartite periplasmic receptor-diguanylate cyclase pair (XAC2383-XAC2382) in the bacteriumXanthomonas citri.
J. Biol. Chem., 293, 2018
5UB7
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BU of 5ub7 by Molmil
XAC2383 from Xanthomonas citri bound to ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Phosphate-binding protein
著者Teixeira, R.D, Guzzo, C.R, Farah, C.S.
登録日2016-12-20
公開日2018-01-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献A bipartite periplasmic receptor-diguanylate cyclase pair (XAC2383-XAC2382) in the bacteriumXanthomonas citri.
J. Biol. Chem., 293, 2018
5UB3
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BU of 5ub3 by Molmil
XAC2383 from Xanthomonas citri bound to chloride ion
分子名称: CHLORIDE ION, Phosphate-binding protein
著者Teixeira, R.D, Guzzo, C.R, Farah, C.S.
登録日2016-12-20
公開日2018-01-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A bipartite periplasmic receptor-diguanylate cyclase pair (XAC2383-XAC2382) in the bacteriumXanthomonas citri.
J. Biol. Chem., 293, 2018
5UB4
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BU of 5ub4 by Molmil
XAC2383 from Xanthomonas citri bound to phosphate
分子名称: CHLORIDE ION, PHOSPHATE ION, Phosphate-binding protein
著者Teixeira, R.D, Guzzo, C.R, Farah, C.S.
登録日2016-12-20
公開日2018-01-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A bipartite periplasmic receptor-diguanylate cyclase pair (XAC2383-XAC2382) in the bacteriumXanthomonas citri.
J. Biol. Chem., 293, 2018
4RBW
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BU of 4rbw by Molmil
Crystal structure of human alpha-defensin 5, HD5 (Thr7Arg Glu21Arg mutant)
分子名称: CHLORIDE ION, Defensin-5, SULFATE ION
著者Pazgier, M, Gohain, N, Tolbert, W.D.
登録日2014-09-13
公開日2015-07-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design of a potent antibiotic peptide based on the active region of human defensin 5.
J.Med.Chem., 58, 2015
6JTG
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BU of 6jtg by Molmil
Structural insights into G domain dimerization and pathogenic mutations of OPA1
分子名称: BERYLLIUM TRIFLUORIDE ION, Dynamin-like 120 kDa protein, mitochondrial,OPA1 protein, ...
著者Yan, L, Hu, J.
登録日2019-04-11
公開日2020-04-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into G domain dimerization and pathogenic mutation of OPA1.
J.Cell Biol., 219, 2020
3CWJ
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BU of 3cwj by Molmil
Crystal structure of hcv ns5b polymerase with a novel pyridazinone inhibitor
分子名称: N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE
著者Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R.
登録日2008-04-21
公開日2009-04-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase
Bioorg.Med.Chem.Lett., 18, 2008
3CO9
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BU of 3co9 by Molmil
Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor
分子名称: N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7 -yl}methanesulfonamide, RNA-directed RNA polymerase
著者Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R.
登録日2008-03-27
公開日2009-02-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pyrrolo[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 18, 2008
4RBX
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BU of 4rbx by Molmil
Crystal structure of human alpha-defensin 5, HD5 (Glu21Arg mutant)
分子名称: Defensin-5, SULFATE ION
著者Pazgier, M, Gohain, N, Tolbert, W.D.
登録日2014-09-13
公開日2015-07-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Design of a potent antibiotic peptide based on the active region of human defensin 5.
J.Med.Chem., 58, 2015
6KAG
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BU of 6kag by Molmil
Crystal structure of the SMARCB1/SMARCC2 subcomplex
分子名称: SWI/SNF complex subunit SMARCC2, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1
著者Chen, G, Zhou, H, Giancotti, F.G, Long, J.
登録日2019-06-22
公開日2020-09-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献A heterotrimeric SMARCB1-SMARCC2 subcomplex is required for the assembly and tumor suppression function of the BAF chromatin-remodeling complex.
Cell Discov, 6, 2020
5VYY
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BU of 5vyy by Molmil
Structure of human Hsp90-alpha bound to resorcinylic inhibitor BnIm
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, Heat shock protein HSP 90-alpha, ...
著者Que, N.S, Gewirth, D.T.
登録日2017-05-26
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
4J00
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BU of 4j00 by Molmil
Crystal Structure of Fischerella Transcription Factor HetR complexed with 24mer DNA target
分子名称: DNA (5'-D(*TP*GP*GP*TP*GP*AP*GP*GP*GP*GP*TP*TP*AP*AP*AP*CP*CP*CP*CP*TP*CP*AP*CP*C)-3'), MAGNESIUM ION, Transcription Factor HetR
著者Kim, Y, Joachimiak, G, Gornicki, P, Joachimiak, A, MCSG, Midwest Center for Structural Genomics (MCSG)
登録日2013-01-30
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.004 Å)
主引用文献Structures of complexes comprised of Fischerella transcription factor HetR with Anabaena DNA targets.
Proc.Natl.Acad.Sci.USA, 110, 2013
6LYC
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BU of 6lyc by Molmil
Crystal structure of the NOD SIRPa complex with D4-2
分子名称: ACETIC ACID, D4-2, SIRPa of the NOD mouse strain
著者Murata, Y, Matsuda, M, Nakagawa, A, Matozaki, T.
登録日2020-02-14
公開日2020-07-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Macrocyclic Peptide-Mediated Blockade of the CD47-SIRP alpha Interaction as a Potential Cancer Immunotherapy.
Cell Chem Biol, 27, 2020
1BKO
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BU of 1bko by Molmil
THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
分子名称: THYMIDYLATE SYNTHASE A
著者Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
登録日1998-07-09
公開日1999-02-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
1BSP
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BU of 1bsp by Molmil
THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
分子名称: PHOSPHATE ION, THYMIDYLATE SYNTHASE A
著者Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
登録日1998-07-09
公開日1999-02-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
6S50
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BU of 6s50 by Molmil
scdSav(SARK)mv2 - Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes
分子名称: GLYCEROL, SULFATE ION, Streptavidin, ...
著者Rebelein, J.G.
登録日2019-06-29
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Breaking Symmetry: Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes.
J.Am.Chem.Soc., 141, 2019
7WK0
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BU of 7wk0 by Molmil
Local refine of Omicron spike bitrimer with 6m6 antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6m6 heavy chain, 6m6 light chain, ...
著者Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
登録日2022-01-08
公開日2022-07-13
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献A broadly neutralizing antibody against SARS-CoV-2 Omicron variant infection exhibiting a novel trimer dimer conformation in spike protein binding.
Cell Res., 32, 2022

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