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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
Descriptor: Human IgG1 fab fragment heavy chain, Human IgG1 fab fragment light chain, Ubiquitin, ...
Authors:Hymowitz, S.G.
Deposit date:2008-07-18
Release date:2008-09-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: Alpha-synuclein
Authors:Sicking, K, Al-Azzani, M, Outeiro, T.F, Fernandez-Busnadiego, R.
Deposit date:2024-11-20
Release date:2025-01-29
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite: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.
Descriptor: Endo-1,4-beta-xylanase
Authors:Anye, V, Schubert, W.D.
Deposit date:2020-11-12
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.70001292 Å)
Cite: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
Descriptor: Assemblin, [1-(2-oxopropyl)-4-phenyl-1H-1,2,3-triazol-5-yl]methyl benzylcarbamate
Authors:Hulce, K.R, Bohn, M, Ongpipattanakul, C, Jaishankar, P, Renslo, A.R, Craik, C.S.
Deposit date:2021-12-29
Release date:2022-01-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.67 Å)
Cite: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
Descriptor: 30S ribosomal protein S12, 50S ribosomal protein L11, Elongation factor Tu, ...
Authors:Frank, J, Li, W, Agirrezabala, X.
Deposit date:2008-09-30
Release date:2008-12-16
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (12 Å)
Cite: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
Descriptor: ACETATE ION, COBALT (II) ION, Endo-1,4-beta-xylanase
Authors:Anye, V, Schubert, W.D.
Deposit date:2020-11-09
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05000186 Å)
Cite: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
Descriptor: CALCIUM ION, Endo-1,4-beta-xylanase
Authors:Anye, V, Schubert, W.D.
Deposit date:2020-11-11
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.00001884 Å)
Cite: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
Descriptor: Alpha-synuclein
Authors:Sicking, K, Al-Azzani, M, Outeiro, T.F, Fernandez-Busnadiego, R.
Deposit date:2025-01-07
Release date:2025-02-12
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite: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
Descriptor: 30S ribosomal protein S12, 50S ribosomal protein L11, Elongation factor Tu, ...
Authors:Frank, J, Li, W, Agirrezabala, X.
Deposit date:2008-09-29
Release date:2008-12-16
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (9 Å)
Cite: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
Descriptor: 30S ribosomal protein S12, 50S ribosomal protein L11, Elongation factor Tu, ...
Authors:Frank, J, Li, W, Agirrezabala, X.
Deposit date:2008-09-30
Release date:2008-12-16
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (9 Å)
Cite: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
Descriptor: SULFATE ION, Serine protease, beta-D-glucopyranose
Authors:Tonozuka, T.
Deposit date:2024-08-22
Release date:2024-09-11
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, EY6A heavy chain, ...
Authors:Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-06-12
Release date:2020-06-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
Descriptor: FimH, alpha-D-mannopyranose
Authors:Lopatto, E, Tamadonfar, K.O, Hultgren, S.J.
Deposit date:2024-02-26
Release date:2024-09-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.34 Å)
Cite: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
Descriptor: 4-(3,4-dichlorobenzene-1-sulfonamido)-2-fluorobenzoic acid, Hydroxysteroid 17-beta dehydrogenase 13, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Liu, S.
Deposit date:2024-03-01
Release date:2024-11-27
Last modified:2025-01-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite: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
Descriptor: 8-(3,4-dichlorobenzene-1-sulfonamido)quinoline-5-carboxylic acid, Hydroxysteroid 17-beta dehydrogenase 13, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Liu, S, Garnsey, M.
Deposit date:2024-03-01
Release date:2024-11-27
Last modified:2025-01-15
Method:X-RAY DIFFRACTION (2.363 Å)
Cite: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
Descriptor: 7-[3-chloro-4-(cyclobutylmethoxy)benzene-1-sulfonamido]-2-methyl-2H-indazole-4-carboxylic acid, Hydroxysteroid 17-beta dehydrogenase 13, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Liu, S, Garnsey, M.
Deposit date:2024-03-01
Release date:2024-11-27
Last modified:2025-01-15
Method:X-RAY DIFFRACTION (2.592 Å)
Cite: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
Descriptor: 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, ...
Authors:Enriquez, A.S, Hastie, K.M.
Deposit date:2022-02-14
Release date:2022-06-01
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite: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
Descriptor: 18.5C-M30 Fab Heavy Chain, 18.5C-M30 Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Buck, T.K, Enriquez, A.S, Hastie, K.M.
Deposit date:2022-04-04
Release date:2022-06-15
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite: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
Descriptor: 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, ...
Authors:Buck, T.K, Enriquez, A.E, Hastie, K.M.
Deposit date:2022-03-20
Release date:2022-06-15
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite: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
Descriptor: 3' Target Strand, 5' Target Strand, HNH nuclease domain-containing protein, ...
Authors:Fregoso Ocampo, R, Taylor, D.W, Bravo, J.P.K.
Deposit date:2024-02-29
Release date:2025-01-15
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite: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)
Descriptor: 1-(biphenyl-3-yl)-3-hydroxypyridin-4(1H)-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Catechol O-methyltransferase, ...
Authors:Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M.
Deposit date:2015-01-25
Release date:2015-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M.
Deposit date:2015-01-25
Release date:2015-04-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 2-(biphenyl-3-yl)-5-hydroxy-3-methylpyrimidin-4(3H)-one, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Allison, T, Wolkenberg, S, Sanders, J.M, Soisson, S.M.
Deposit date:2015-01-25
Release date:2015-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: conotoxin MoVIB
Authors:Rosengren, K.J.
Deposit date:2018-02-11
Release date:2018-03-07
Last modified:2025-04-02
Method:SOLUTION NMR
Cite: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
Descriptor: 4-(4-tert-butylphenyl)-4-oxobutanoic acid, UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 5, ...
Authors: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)
Deposit date:2018-06-28
Release date:2018-07-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain.
J.Med.Chem., 62, 2019

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