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3DVN
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BU of 3dvn by Molmil
Crystal structure of K63-specific fab Apu2.16 bound to K63-linked di-ubiquitin
分子名称: Human IgG1 fab fragment heavy chain, Human IgG1 fab fragment light chain, Ubiquitin, ...
著者Hymowitz, S.G.
登録日2008-07-18
公開日2008-09-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Ubiquitin chain editing revealed by polyubiquitin linkage-specific antibodies.
Cell(Cambridge,Mass.), 134, 2008
9HGR
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BU of 9hgr by Molmil
In vitro grown WT Alpha-Synuclein Fibrils
分子名称: Alpha-synuclein
著者Sicking, K, Al-Azzani, M, Outeiro, T.F, Fernandez-Busnadiego, R.
登録日2024-11-20
公開日2025-01-29
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献A novel alpha-synuclein G14R missense variant is associated with atypical neuropathological features.
Medrxiv, 2024
7AYP
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BU of 7ayp by Molmil
Structure of a GH11 domain refined from the X-ray diffraction data of a GH11-CBM36-1 crystal.
分子名称: Endo-1,4-beta-xylanase
著者Anye, V, Schubert, W.D.
登録日2020-11-12
公開日2020-11-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.70001292 Å)
主引用文献Structural and biophysical characterization of the multidomain xylanase Xyl.
Plos One, 17, 2022
7TCZ
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BU of 7tcz by Molmil
Human cytomegalovirus protease mutant (C84A, C87A, C138A, C202A) in complex with inhibitor
分子名称: Assemblin, [1-(2-oxopropyl)-4-phenyl-1H-1,2,3-triazol-5-yl]methyl benzylcarbamate
著者Hulce, K.R, Bohn, M, Ongpipattanakul, C, Jaishankar, P, Renslo, A.R, Craik, C.S.
登録日2021-12-29
公開日2022-01-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Inhibiting a dynamic viral protease by targeting a non-catalytic cysteine.
Cell Chem Biol, 29, 2022
3EQ4
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BU of 3eq4 by Molmil
Model of tRNA(Leu)-EF-Tu in the ribosomal pre-accommodated state revealed by cryo-EM
分子名称: 30S ribosomal protein S12, 50S ribosomal protein L11, Elongation factor Tu, ...
著者Frank, J, Li, W, Agirrezabala, X.
登録日2008-09-30
公開日2008-12-16
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (12 Å)
主引用文献Recognition of aminoacyl-tRNA: a common molecular mechanism revealed by cryo-EM.
Embo J., 27, 2008
7AX7
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BU of 7ax7 by Molmil
Crystal structure of the Xyl-CE4 domain of a multidomain xylanase from the hindgut metagenome of Trinervitermes trinervoides
分子名称: ACETATE ION, COBALT (II) ION, Endo-1,4-beta-xylanase
著者Anye, V, Schubert, W.D.
登録日2020-11-09
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05000186 Å)
主引用文献Structural and biophysical characterization of the multidomain xylanase Xyl.
Plos One, 17, 2022
7AY3
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BU of 7ay3 by Molmil
Crystal structure of the CBM36-1 domain of a multidomain xylanase from the hindgut metagenome of Trinervitermes trinervoides
分子名称: CALCIUM ION, Endo-1,4-beta-xylanase
著者Anye, V, Schubert, W.D.
登録日2020-11-11
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.00001884 Å)
主引用文献Structural and biophysical characterization of the multidomain xylanase Xyl.
Plos One, 17, 2022
9HXA
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BU of 9hxa by Molmil
In vitro grown K58N Alpha-Synuclein Fibrils
分子名称: Alpha-synuclein
著者Sicking, K, Al-Azzani, M, Outeiro, T.F, Fernandez-Busnadiego, R.
登録日2025-01-07
公開日2025-02-12
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献A novel alpha-synuclein K58N missense variant in a patient with Parkinson's disease.
Medrxiv, 2025
3EP2
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BU of 3ep2 by Molmil
Model of Phe-tRNA(Phe) in the ribosomal pre-accommodated state revealed by cryo-EM
分子名称: 30S ribosomal protein S12, 50S ribosomal protein L11, Elongation factor Tu, ...
著者Frank, J, Li, W, Agirrezabala, X.
登録日2008-09-29
公開日2008-12-16
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Recognition of aminoacyl-tRNA: a common molecular mechanism revealed by cryo-EM.
Embo J., 27, 2008
3EQ3
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BU of 3eq3 by Molmil
Model of tRNA(Trp)-EF-Tu in the ribosomal pre-accommodated state revealed by cryo-EM
分子名称: 30S ribosomal protein S12, 50S ribosomal protein L11, Elongation factor Tu, ...
著者Frank, J, Li, W, Agirrezabala, X.
登録日2008-09-30
公開日2008-12-16
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Recognition of aminoacyl-tRNA: a common molecular mechanism revealed by cryo-EM.
Embo J., 27, 2008
9J9A
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BU of 9j9a by Molmil
Staphylococcus aureus exfoliative toxin D
分子名称: SULFATE ION, Serine protease, beta-D-glucopyranose
著者Tonozuka, T.
登録日2024-08-22
公開日2024-09-11
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of exfoliative toxin D from Staphylococcus aureus.
Biochem.Biophys.Res.Commun., 733, 2024
6ZCZ
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BU of 6zcz by Molmil
Crystal structure of receptor binding domain of SARS-CoV-2 Spike glycoprotein in ternary complex with EY6A Fab and a nanobody.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, EY6A heavy chain, ...
著者Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
登録日2020-06-12
公開日2020-06-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
9AT9
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BU of 9at9 by Molmil
Crystal structure of Klebsiella pneumoniae FimH lectin domain bound to D-mannose
分子名称: FimH, alpha-D-mannopyranose
著者Lopatto, E, Tamadonfar, K.O, Hultgren, S.J.
登録日2024-02-26
公開日2024-09-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Conformational ensembles in Klebsiella pneumoniae FimH impact uropathogenesis.
Proc.Natl.Acad.Sci.USA, 121, 2024
9AV4
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BU of 9av4 by Molmil
Design and application of synthetic 17B-HSD13 substrates to drug discovery, and to reveal preserved catalytic activity of protective human variants
分子名称: 4-(3,4-dichlorobenzene-1-sulfonamido)-2-fluorobenzoic acid, Hydroxysteroid 17-beta dehydrogenase 13, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Liu, S.
登録日2024-03-01
公開日2024-11-27
最終更新日2025-01-15
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Design and application of synthetic 17B-HSD13 substrates reveals preserved catalytic activity of protective human variants.
Nat Commun, 16, 2025
9AV5
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BU of 9av5 by Molmil
Design and application of synthetic 17B-HSD13 substrates to drug discovery, and to reveal preserved catalytic activity of protective human variants
分子名称: 8-(3,4-dichlorobenzene-1-sulfonamido)quinoline-5-carboxylic acid, Hydroxysteroid 17-beta dehydrogenase 13, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Liu, S, Garnsey, M.
登録日2024-03-01
公開日2024-11-27
最終更新日2025-01-15
実験手法X-RAY DIFFRACTION (2.363 Å)
主引用文献Design and application of synthetic 17B-HSD13 substrates reveals preserved catalytic activity of protective human variants.
Nat Commun, 16, 2025
9AV8
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BU of 9av8 by Molmil
Design and application of synthetic 17B-HSD13 substrates to drug discovery, and to reveal preserved catalytic activity of protective human variants
分子名称: 7-[3-chloro-4-(cyclobutylmethoxy)benzene-1-sulfonamido]-2-methyl-2H-indazole-4-carboxylic acid, Hydroxysteroid 17-beta dehydrogenase 13, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Liu, S, Garnsey, M.
登録日2024-03-01
公開日2024-11-27
最終更新日2025-01-15
実験手法X-RAY DIFFRACTION (2.592 Å)
主引用文献Design and application of synthetic 17B-HSD13 substrates reveals preserved catalytic activity of protective human variants.
Nat Commun, 16, 2025
7TYV
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BU of 7tyv by Molmil
Structure of Lassa Virus glycoprotein (Josiah) bound to Fab 25.10C
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, 25.10C Fab Heavy Chain, ...
著者Enriquez, A.S, Hastie, K.M.
登録日2022-02-14
公開日2022-06-01
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Delineating the mechanism of anti-Lassa virus GPC-A neutralizing antibodies.
Cell Rep, 39, 2022
7UL7
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BU of 7ul7 by Molmil
Lineage I (Pinneo) Lassa virus glycoprotein bound to 18.5C-M30 Fab
分子名称: 18.5C-M30 Fab Heavy Chain, 18.5C-M30 Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Buck, T.K, Enriquez, A.S, Hastie, K.M.
登録日2022-04-04
公開日2022-06-15
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Neutralizing Antibodies against Lassa Virus Lineage I.
Mbio, 13, 2022
7UDS
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BU of 7uds by Molmil
Structure of lineage I (Pinneo) Lassa virus glycoprotein bound to Fab 25.10C
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, 25.10C Fab Heavy Chain, ...
著者Buck, T.K, Enriquez, A.E, Hastie, K.M.
登録日2022-03-20
公開日2022-06-15
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Neutralizing Antibodies against Lassa Virus Lineage I.
Mbio, 13, 2022
9AUF
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BU of 9auf by Molmil
Cas9d 20bp R-loop Complex
分子名称: 3' Target Strand, 5' Target Strand, HNH nuclease domain-containing protein, ...
著者Fregoso Ocampo, R, Taylor, D.W, Bravo, J.P.K.
登録日2024-02-29
公開日2025-01-15
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献DNA targeting by compact Cas9d and its resurrected ancestor.
Nat Commun, 16, 2025
4XUC
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BU of 4xuc by Molmil
Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd18 (1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one)
分子名称: 1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Catechol O-methyltransferase, ...
著者Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M.
登録日2015-01-25
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Acs Med.Chem.Lett., 6, 2015
4XUD
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BU of 4xud by Molmil
Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd32 ([1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Catechol O-methyltransferase, MAGNESIUM ION, ...
著者Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M.
登録日2015-01-25
公開日2015-04-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Acs Med.Chem.Lett., 6, 2015
4XUE
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BU of 4xue by Molmil
Synthesis and evaluation of heterocyclic catechol mimics as inhibitors of catechol-O-methyltransferase (COMT): Structure with Cmpd27b
分子名称: 2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one, Catechol O-methyltransferase, MAGNESIUM ION, ...
著者Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M.
登録日2015-01-25
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT).
Acs Med.Chem.Lett., 6, 2015
6CEG
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BU of 6ceg by Molmil
Solution NMR structure of the omega conotoxin MoVIB from Conus moncuri
分子名称: conotoxin MoVIB
著者Rosengren, K.J.
登録日2018-02-11
公開日2018-03-07
最終更新日2025-04-02
実験手法SOLUTION NMR
主引用文献Novel analgesic omega-conotoxins from the vermivorous cone snail Conus moncuri provide new insights into the evolution of conopeptides.
Sci Rep, 8, 2018
6DXH
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BU of 6dxh by Molmil
Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 4-(4-tert-butylphenyl)-4-oxobutanoate
分子名称: 4-(4-tert-butylphenyl)-4-oxobutanoic acid, UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 5, ...
著者Harding, R.J, Mann, M.K, Ravichandran, M, Ferreira de Freitas, R, Franzoni, I, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Schapira, M, Structural Genomics Consortium (SGC)
登録日2018-06-28
公開日2018-07-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain.
J.Med.Chem., 62, 2019

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