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3RGM
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BU of 3rgm by Molmil
Crystal structure of spin-labeled BtuB T156R1
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, ...
Authors:Horanyi, P.S, Freed, D.M, Wiener, M.C, Cafiso, D.S.
Deposit date:2011-04-08
Release date:2011-10-26
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular Origin of Electron Paramagnetic Resonance Line Shapes on β-Barrel Membrane Proteins: The Local Solvation Environment Modulates Spin-Label Configuration
Biochemistry, 50, 2011
1HR2
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BU of 1hr2 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF A MUTANT P4-P6 DOMAIN (DELC209) OF TETRAHYMENA THEMOPHILA GROUP I INTRON.
Descriptor: MAGNESIUM ION, P4-P6 DELC209 MUTANT RNA RIBOZYME DOMAIN
Authors:Juneau, K, Podell, E.R, Harrington, D.J, Cech, T.R.
Deposit date:2000-12-20
Release date:2001-04-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis of the enhanced stability of a mutant ribozyme domain and a detailed view of RNA--solvent interactions.
Structure, 9, 2001
6N95
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BU of 6n95 by Molmil
Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-CoA
Descriptor: (2R)-sulfonatepropionyl-CoA, (2S)-sulfonatepropionyl-CoA, DI(HYDROXYETHYL)ETHER, ...
Authors:Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R.
Deposit date:2018-11-30
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
6MQ4
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BU of 6mq4 by Molmil
GH5-4 broad specificity endoglucanase from Hungateiclostridium cellulolyticum
Descriptor: DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ...
Authors:Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G.
Deposit date:2018-10-09
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis.
J.Biol.Chem., 295, 2020
7Q0I
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BU of 7q0i by Molmil
Crystal structure of the N-terminal domain of SARS-CoV-2 beta variant spike glycoprotein in complex with Beta-43
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2021-10-14
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
Cell Host Microbe, 30, 2022
3G08
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BU of 3g08 by Molmil
Crystal structure of the alpha-galactosylceramide analog OCH in complex with mouse CD1d
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2 microglobulin, ...
Authors:Zajonc, D.M.
Deposit date:2009-01-27
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mechanisms for glycolipid antigen-driven cytokine polarization by Valpha14i NKT cells.
J.Immunol., 184, 2010
6SO5
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BU of 6so5 by Molmil
Homo sapiens WRB/CAML heterotetramer in complex with a TRC40 dimer
Descriptor: ATPase ASNA1, Calcium signal-modulating cyclophilin ligand, Tail-anchored protein insertion receptor WRB, ...
Authors:McDowell, M.A, Heimes, M, Wild, K, Flemming, D, Sinning, I.
Deposit date:2019-08-29
Release date:2020-09-09
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural Basis of Tail-Anchored Membrane Protein Biogenesis by the GET Insertase Complex.
Mol.Cell, 80, 2020
4YT4
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BU of 4yt4 by Molmil
Iron guanylylpyridinol (FeGP) cofactor-reconstituted HmdII from Methanocaldococcus jannaschii
Descriptor: H(2)-forming methylenetetrahydromethanopterin dehydrogenase-related protein MJ1338, iron-guanylyl pyridinol cofactor
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2015-03-17
Release date:2015-07-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Towards a functional identification of catalytically inactive [Fe]-hydrogenase paralogs.
Febs J., 282, 2015
7PUH
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BU of 7puh by Molmil
Crystal Structure of Two-Domain Laccase mutant H165A/R240H from Streptomyces griseoflavus
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kolyadenko, I, Tishchenko, S, Gabdulkhakov, A.
Deposit date:2021-09-30
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Engineering the Catalytic Properties of Two-Domain Laccase from Streptomyces griseoflavus Ac-993.
Int J Mol Sci, 23, 2021
5UDI
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BU of 5udi by Molmil
IFIT1 monomeric mutant (L457E/L464E) with m7Gppp-AAAA (syn and anti conformations of cap)
Descriptor: CALCIUM ION, Interferon-induced protein with tetratricopeptide repeats 1, RNA (5'-D(*(GTA))-R(P*AP*AP*A)-3'), ...
Authors:Abbas, Y.M, Martinez-Montero, S, Damha, M.J, Nagar, B.
Deposit date:2016-12-27
Release date:2017-03-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structure of human IFIT1 with capped RNA reveals adaptable mRNA binding and mechanisms for sensing N1 and N2 ribose 2'-O methylations.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7Q21
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BU of 7q21 by Molmil
III2-IV2 respiratory supercomplex from Corynebacterium glutamicum
Descriptor: (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ...
Authors:Kovalova, T, Moe, A, Krol, S, Yanofsky, D.J, Bott, M, Sjostrand, D, Rubinstein, J.L, Hogbom, M, Brzezinski, P.
Deposit date:2021-10-22
Release date:2022-02-02
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The respiratory supercomplex from C. glutamicum.
Structure, 30, 2022
7Q26
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BU of 7q26 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD013
Descriptor: (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q25
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BU of 7q25 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD012
Descriptor: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q24
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BU of 7q24 by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD011
Descriptor: (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2021-10-23
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
7Q4S
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BU of 7q4s by Molmil
Structure of the Pseudomonas aeruginosa bacteriophage JG004 endolysin Pae87, apo form.
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Endolysin, TETRAETHYLENE GLYCOL
Authors:Seoane-Blanco, M, van Raaij, M.J.
Deposit date:2021-11-02
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Monomodular Pseudomonas aeruginosa phage JG004 lysozyme (Pae87) contains a bacterial surface-active antimicrobial peptide-like region and a possible substrate-binding subdomain.
Acta Crystallogr D Struct Biol, 78, 2022
3WDY
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BU of 3wdy by Molmil
The complex structure of E113A with cellotetraose
Descriptor: Beta-1,3-1,4-glucanase, SULFATE ION, beta-D-glucopyranose, ...
Authors:Cheng, Y.S, Huang, C.H, Chen, C.C, Huang, T.Y, Ko, T.P, Huang, J.W, Wu, T.H, Liu, J.R, Guo, R.T.
Deposit date:2013-06-25
Release date:2014-07-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural and mutagenetic analyses of a 1,3-1,4-beta-glucanase from Paecilomyces thermophila
Biochim.Biophys.Acta, 1844, 2014
7Q1W
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BU of 7q1w by Molmil
Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) E411A in complex with blood group A (BgA II) tetrasaccharide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ...
Authors:Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N.
Deposit date:2021-10-21
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract.
Plos Biol., 19, 2021
8CC4
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BU of 8cc4 by Molmil
LasB bound to phosphonic acid based inhibitor
Descriptor: CALCIUM ION, Elastase, ZINC ION, ...
Authors:Mueller, R, Sikandar, A.
Deposit date:2023-01-26
Release date:2023-12-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Inhibitors of the Elastase LasB for the Treatment of Pseudomonas aeruginosa Lung Infections.
Acs Cent.Sci., 9, 2023
6N93
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BU of 6n93 by Molmil
Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-oxa(dethia)-CoA
Descriptor: (2E)-2-(hydroxyimino)propanoic acid, IMIDAZOLE, Methylmalonyl-CoA decarboxylase, ...
Authors:Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R.
Deposit date:2018-11-30
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
5UDJ
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BU of 5udj by Molmil
IFIT1 monomeric mutant (L457E/L464E) with Gppp-AAAA
Descriptor: CALCIUM ION, Interferon-induced protein with tetratricopeptide repeats 1, RNA (5'-D(*(G3A))-R(P*AP*AP*A)-3'), ...
Authors:Abbas, Y.M, Martinez-Montero, S, Damha, M.J, Nagar, B.
Deposit date:2016-12-27
Release date:2017-03-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure of human IFIT1 with capped RNA reveals adaptable mRNA binding and mechanisms for sensing N1 and N2 ribose 2'-O methylations.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1ICE
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BU of 1ice by Molmil
STRUCTURE AND MECHANISM OF INTERLEUKIN-1BETA CONVERTING ENZYME
Descriptor: INTERLEUKIN-1 BETA CONVERTING ENZYME, TETRAPEPTIDE ALDEHYDE
Authors:Wilson, K.P, Griffith, J.P, Kim, E.E, Navia, M.A.
Deposit date:1994-09-29
Release date:1995-07-28
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and mechanism of interleukin-1 beta converting enzyme.
Nature, 370, 1994
5C0E
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BU of 5c0e by Molmil
HLA-A02 carrying YLGGPDFPTI
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, Beta-2-microglobulin, ...
Authors:Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
Deposit date:2015-06-12
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.491 Å)
Cite:Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
7PK6
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BU of 7pk6 by Molmil
Providencia stuartii Arginine decarboxylase (Adc), stack structure
Descriptor: Biodegradative arginine decarboxylase
Authors:Jessop, M, Desfosses, A, Bacia-Verloop, M, Gutsche, I.
Deposit date:2021-08-25
Release date:2022-04-20
Method:ELECTRON MICROSCOPY (2.15 Å)
Cite:Structural and biochemical characterisation of the Providencia stuartii arginine decarboxylase shows distinct polymerisation and regulation.
Commun Biol, 5, 2022
6N5A
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BU of 6n5a by Molmil
Crystal structure of an equine H7 hemagglutinin from A/equine/NY/49/73 (H7N7)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2018-11-21
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:N-Glycolylneuraminic Acid as a Receptor for Influenza A Viruses.
Cell Rep, 27, 2019
8CO7
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BU of 8co7 by Molmil
Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-09066
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
Authors:Steegborn, C.
Deposit date:2023-02-27
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023

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