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7SAS
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BU of 7sas by Molmil
Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B
著者Cao, Q, Jiang, Y, Sawaya, M.R, Eisenberg, D.S.
登録日2021-09-23
公開日2022-03-09
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Amyloid fibrils in FTLD-TDP are composed of TMEM106B and not TDP-43.
Nature, 605, 2022
4YQN
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BU of 4yqn by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 6-{[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyridine-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Elkins, P.A, Bonnette, W.G, Madauss, K.P.
登録日2015-03-13
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
7SAR
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BU of 7sar by Molmil
Cryo-EM structure of TMEM106B fibrils extracted from a FTLD-TDP patient, polymorph 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B
著者Cao, Q, Jiang, Y, Sawaya, M.R, Eisenberg, D.S.
登録日2021-09-23
公開日2022-03-09
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Amyloid fibrils in FTLD-TDP are composed of TMEM106B and not TDP-43.
Nature, 605, 2022
7RXP
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BU of 7rxp by Molmil
Fab1512 in complex with the C-terminal alpha-TSR domain of P. falciparum
分子名称: Circumsporozoite protein, Fab1512 heavy chain, Fab1512 light chain
著者Pholcharee, T, Oyen, D, Wilson, I.A.
登録日2021-08-23
公開日2022-03-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
7RXI
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BU of 7rxi by Molmil
Fab234 in complex with the C-terminal alpha-TSR domain of P. falciparum
分子名称: Circumsporozoite protein, Fab234 heavy chain, Fab234 light chain
著者Pholcharee, T, Oyen, D, Wilson, I.A.
登録日2021-08-23
公開日2022-03-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
3EW2
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BU of 3ew2 by Molmil
Crystal structure of rhizavidin-biotin complex
分子名称: BIOTIN, rhizavidin
著者Livnah, O, Meir, A.
登録日2008-10-14
公開日2008-12-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of rhizavidin: insights into the enigmatic high-affinity interaction of an innate biotin-binding protein dimer.
J.Mol.Biol., 386, 2009
7RXL
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BU of 7rxl by Molmil
Fab1488 in complex with the C-terminal alpha-TSR domain of P. falciparum
分子名称: Circumsporozoite protein, Fab1488 heavy chain, Fab1488 light chain
著者Pholcharee, T, Oyen, D, Wilson, I.A.
登録日2021-08-23
公開日2022-03-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.823 Å)
主引用文献A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
4YQT
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BU of 4yqt by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
分子名称: 4-amino-2-[(2,2-dimethylpropyl)amino]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Elkins, P.A, Bonnette, W.G.
登録日2015-03-13
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
7RXJ
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BU of 7rxj by Molmil
Fab236 in complex with the C-terminal alpha-TSR domain of P. falciparum
分子名称: Circumsporozoite protein, Fab236 heavy chain, Fab236 light chain
著者Pholcharee, T, Oyen, D, Wilson, I.A.
登録日2021-08-23
公開日2022-03-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.345 Å)
主引用文献A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
7S0X
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BU of 7s0x by Molmil
Fab352 in complex with the C-terminal alphaTSR domain of P. falciparum
分子名称: Circumsporozoite protein, Fab352 heavy chain, Fab352 light chain
著者Pholcharee, T, Oyen, D, Wilson, I.A.
登録日2021-08-31
公開日2022-03-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A novel CSP C-terminal epitope targeted by an antibody with protective activity against Plasmodium falciparum.
Plos Pathog., 18, 2022
2WP6
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BU of 2wp6 by Molmil
Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00071494)
分子名称: (4S)-3-BENZYL-6-CHLORO-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Alphey, M.S, Patterson, S, Fairlamb, A.H.
登録日2009-08-03
公開日2010-10-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
3FDZ
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BU of 3fdz by Molmil
Crystal structure of phosphoglyceromutase from burkholderia pseudomallei 1710b with bound 2,3-diphosphoglyceric acid and 3-phosphoglyceric acid
分子名称: (2R)-2,3-diphosphoglyceric acid, 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase, 3-PHOSPHOGLYCERIC ACID, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-11-26
公開日2009-01-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献An ensemble of structures of Burkholderia pseudomallei 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase.
Acta Crystallogr.,Sect.F, 67, 2011
7SHH
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BU of 7shh by Molmil
Bacterial cereblon homologue in complex with (R)-3-(4-methoxyphenyl)piperidine-2,6-dione
分子名称: (3R)-3-(4-methoxyphenyl)piperidine-2,6-dione, Cereblon isoform 4, ZINC ION
著者Nithianantham, S, Fischer, M.
登録日2021-10-08
公開日2022-04-13
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of Potent and Selective Janus Kinase 2/3 Directing PG-PROTACs.
Acs Med.Chem.Lett., 13, 2022
3FN7
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BU of 3fn7 by Molmil
Crystal structure of sortase A (Spy1154) from Streptococcus pyogenes serotype M1 strain SF370
分子名称: Sortase A
著者Banfield, M.J.
登録日2008-12-23
公開日2009-01-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of Streptococcus pyogenes Sortase A: Implications for Sortase mechanism
J.Biol.Chem., 284, 2009
4ZPI
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BU of 4zpi by Molmil
Crystal Structure of HygX from Streptomyces hygroscopicus with iron bound
分子名称: FE (II) ION, Putative oxidase/hydroxylase, SUCCINIC ACID
著者McCulloch, K.M, McCranie, E.K, Sarwar, M, Mathieu, J.L, Gitschlag, B.L, Du, Y, Bachmann, B.O, Iverson, T.M.
登録日2015-05-07
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.504 Å)
主引用文献Oxidative cyclizations in orthosomycin biosynthesis expand the known chemistry of an oxygenase superfamily.
Proc.Natl.Acad.Sci.USA, 112, 2015
4YYR
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BU of 4yyr by Molmil
Ficin B crystal form I
分子名称: Ficin B, SULFATE ION
著者Azarkan, M, Baeyens-Volant, D, Loris, R.
登録日2015-03-24
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.349 Å)
主引用文献Crystal structure of four variants of the protease Ficin from the common fig
To Be Published
2V5A
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BU of 2v5a by Molmil
CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 3
分子名称: 7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION
著者Mochalkin, I, Miller, J.R.
登録日2008-10-02
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore.
Proc.Natl.Acad.Sci.USA, 106, 2009
7RTZ
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BU of 7rtz by Molmil
X-ray crystallographic structure of a beta-hairpin peptide derived from amyloid beta 14-40
分子名称: Amyloid-beta protein 40, CHLORIDE ION
著者Samdin, T.D, Kreutzer, A.G, Nowick, J.S.
登録日2021-08-16
公開日2022-08-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A beta-Barrel-Like Tetramer Formed by a beta-Hairpin Derived From A beta
Chem Sci, 2023
7S4E
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BU of 7s4e by Molmil
Crystal Structure of ligand ACBi1 in complex with bromodomain of human Smarca2 and pVHL:ElonginC:ElonginB complex
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Elongin-B, ...
著者MacPherson, D.J, Sherman, W.
登録日2021-09-08
公開日2022-10-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry.
Nat Commun, 13, 2022
3E8K
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BU of 3e8k by Molmil
Crystal structure of HK97 Prohead II
分子名称: Major capsid protein
著者Gertsman, I, Speir, J, Johnson, J.E.
登録日2008-08-20
公開日2009-02-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献An unexpected twist in viral capsid maturation.
Nature, 458, 2009
7SH4
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BU of 7sh4 by Molmil
CD1a-phosphatidylglycerol binary structure
分子名称: (21R,24R,27S)-24,27,28-trihydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaoctacosan-21-yl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Wegrecki, M, Rossjohn, J.
登録日2021-10-07
公開日2022-10-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Staphylococcal phosphatidylglycerol antigens activate human T cells via CD1a.
Nat.Immunol., 24, 2023
3E65
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BU of 3e65 by Molmil
Murine INOS dimer with HEME, pterin and inhibitor AR-C120011
分子名称: 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Rosenfeld, R.J, Garcin, E.D, Getzoff, E.D.
登録日2008-08-14
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
4Y95
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BU of 4y95 by Molmil
Crystal structure of the kinase domain of Bruton's tyrosine kinase with mutations in the activation loop
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide, BETA-MERCAPTOETHANOL, ...
著者Wang, Q, Rosen, C.E, Kuriyan, J.
登録日2015-02-16
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Autoinhibition of Bruton's tyrosine kinase (Btk) and activation by soluble inositol hexakisphosphate.
Elife, 4, 2015
7S7G
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BU of 7s7g by Molmil
Crystal Structure Analysis of Human VLCAD
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Very long-chain specific acyl-CoA dehydrogenase, mitochondrial
著者Seo, H.-S, Dhe-Paganon, S.
登録日2021-09-15
公開日2022-09-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Structural basis for defective membrane targeting of mutant enzyme in human VLCAD deficiency.
Nat Commun, 13, 2022
3HA6
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Crystal structure of aurora A in complex with TPX2 and compound 10
分子名称: N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine, Serine/threonine-protein kinase 6, Targeting protein for Xklp2
著者Zhao, B, Clark, M.A.
登録日2009-05-01
公開日2009-08-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Design, synthesis and selection of DNA-encoded small-molecule libraries.
Nat.Chem.Biol., 5, 2009

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