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6H03
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BU of 6h03 by Molmil
OPEN CONFORMATION OF THE MEMBRANE ATTACK COMPLEX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5,Complement C5, ...
Authors:Menny, A, Serna, M, Boyd, C.M, Gardner, S, Joseph, A.P, Topf, M, Bubeck, D.
Deposit date:2018-07-06
Release date:2018-12-19
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:CryoEM reveals how the complement membrane attack complex ruptures lipid bilayers.
Nat Commun, 9, 2018
6GZK
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BU of 6gzk by Molmil
Solution NMR structure of the tetramethylrhodamine (TMR) aptamer 3 in complex with 5-TAMRA
Descriptor: 5-carboxy methylrhodamine, TMR3 (48-MER)
Authors:Duchardt-Ferner, E, Ohlenschlager, O, Kreutz, C.R, Wohnert, J.
Deposit date:2018-07-04
Release date:2019-07-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of an RNA aptamer in complex with the fluorophore tetramethylrhodamine.
Nucleic Acids Res., 48, 2020
6H04
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BU of 6h04 by Molmil
Closed conformation of the Membrane Attack Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5,Complement C5, ...
Authors:Menny, A, Serna, M, Boyd, C.M, Gardner, S, Joseph, A.P, Topf, M, Bubeck, D.
Deposit date:2018-07-06
Release date:2018-12-19
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:CryoEM reveals how the complement membrane attack complex ruptures lipid bilayers.
Nat Commun, 9, 2018
5L46
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BU of 5l46 by Molmil
Crystal structure of human dimethylglycine-dehydrogenase
Descriptor: Dimethylglycine dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Hromic, A, Pavkov-Keller, T, Gruber, K.
Deposit date:2016-05-25
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Structure and biochemical properties of recombinant human dimethylglycine dehydrogenase and comparison to the disease-related H109R variant.
Febs J., 283, 2016
6RF7
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BU of 6rf7 by Molmil
Crystal structure of the light-driven sodium pump KR2 in the monomeric form, pH 8.9
Descriptor: EICOSANE, RETINAL, Sodium pumping rhodopsin
Authors:Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V.
Deposit date:2019-04-12
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Sci Adv, 5, 2019
6H48
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BU of 6h48 by Molmil
A polyamorous repressor: deciphering the evolutionary strategy used by the phage-inducible chromosomal islands to spread in nature.
Descriptor: Orf20
Authors:Ciges-Tomas, J.R, Alite, C, Bowring, J.Z, Donderis, J, Penades, J.R, Marina, A.
Deposit date:2018-07-20
Release date:2019-08-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of a polygamous repressor reveals how phage-inducible chromosomal islands spread in nature.
Nat Commun, 10, 2019
5L8S
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BU of 5l8s by Molmil
The crystal structure of a cold-adapted acylaminoacyl peptidase reveals a novel quaternary architecture based on the arm-exchange mechanism
Descriptor: Amino acyl peptidase, SULFATE ION
Authors:Brocca, S, Ferrari, C, Barbiroli, A, Pesce, A, Lotti, M, Nardini, M.
Deposit date:2016-06-08
Release date:2016-11-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A bacterial acyl aminoacyl peptidase couples flexibility and stability as a result of cold adaptation.
FEBS J., 283, 2016
6H52
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BU of 6h52 by Molmil
Crystal structure of human KDM5B in complex with compound 34g
Descriptor: 1,2-ETHANEDIOL, 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
Authors:Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M.
Deposit date:2018-07-23
Release date:2019-06-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
6RNX
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BU of 6rnx by Molmil
Crystal structure of the essential repressor DdrO from radiation-resistant Deinococcus bacteria (Deinococcus deserti)
Descriptor: CHLORIDE ION, HTH-type transcriptional regulator DdrOC
Authors:Arnoux, P, Siponen, M.I, Pignol, D, De Groot, A, Blanchard, L.
Deposit date:2019-05-09
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Crystal structure of the transcriptional repressor DdrO: insight into the metalloprotease/repressor-controlled radiation response in Deinococcus.
Nucleic Acids Res., 47, 2019
2MOX
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BU of 2mox by Molmil
solution structure of tandem SH3 domain of Sorbin and SH3 domain-containing protein 1
Descriptor: Sorbin and SH3 domain-containing protein 1
Authors:Zhao, D, Wang, C, Zhang, J, Wu, J, Shi, Y, Zhang, Z, Gong, Q.
Deposit date:2014-05-07
Release date:2014-05-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin
J.Struct.Biol., 187, 2014
6RQP
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BU of 6rqp by Molmil
Steady-state-SMX dark state structure of bacteriorhodopsin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ...
Authors:Weinert, T, Skopintsev, P, James, D, Kekilli, D, Furrer, A, Bruenle, S, Mous, S, Nogly, P, Standfuss, J.
Deposit date:2019-05-16
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Proton uptake mechanism in bacteriorhodopsin captured by serial synchrotron crystallography.
Science, 365, 2019
5LT0
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BU of 5lt0 by Molmil
nucleotide-free kinesin-1 motor domain, P212121 crystal form
Descriptor: ACETATE ION, Kinesin-like protein, STRONTIUM ION, ...
Authors:Cao, L, Gigant, B.
Deposit date:2016-09-06
Release date:2017-03-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structural switch of nucleotide-free kinesin.
Sci Rep, 7, 2017
5LTA
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BU of 5lta by Molmil
Crystal structure of the Prp43-ADP-BeF3-U7-RNA complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, CACODYLATE ION, ...
Authors:Tauchert, M.J, Ficner, R.
Deposit date:2016-09-06
Release date:2017-01-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.621 Å)
Cite:Structural insights into the mechanism of the DEAH-box RNA helicase Prp43.
Elife, 6, 2017
6RUZ
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BU of 6ruz by Molmil
NADH-dependent Coenzyme A Disulfide Reductase
Descriptor: COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase
Authors:Koepke, J, Preu, J.
Deposit date:2019-05-29
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Characterization and X-ray structure of the NADH-dependent coenzyme A disulfide reductase from Thermus thermophilus.
Biochim Biophys Acta Bioenerg, 1860, 2019
5LHG
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BU of 5lhg by Molmil
Structure of the KDM1A/CoREST complex with the inhibitor 4-methyl-N-[4-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
Descriptor: 4-methyl-N-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Cecatiello, V, Pasqualato, S.
Deposit date:2016-07-11
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
6DEK
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BU of 6dek by Molmil
Crystal structure of Candida albicans acetohydroxyacid synthase catalytic subunit
Descriptor: Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Garcia, M.D, Guddat, L.W.
Deposit date:2018-05-12
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.971 Å)
Cite:Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6D87
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BU of 6d87 by Molmil
Structure of the Bovine p85alpha BH domain, R262T mutant
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, SULFATE ION
Authors:Moore, S.A, Marshall, J.D, Anderson, D.H.
Deposit date:2018-04-25
Release date:2018-05-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Patient-derived mutations within the N-terminal domains of p85 alpha impact PTEN or Rab5 binding and regulation.
Sci Rep, 8, 2018
6RVO
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BU of 6rvo by Molmil
Multicrystal dataset of thaumatin collected using a multilayer monochromator.
Descriptor: L(+)-TARTARIC ACID, Thaumatin I
Authors:Sandy, J, Sanchez-Weatherby, J, Mikolajek, H, Winter, G.
Deposit date:2019-05-31
Release date:2019-06-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Protein-to-structure pipeline for ambient-temperature crystallography at VMXi
Iucrj, 2023
6DER
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BU of 6der by Molmil
Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide metosulam
Descriptor: (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, ...
Authors:Garcia, M.D, Guddat, L.W.
Deposit date:2018-05-12
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.126 Å)
Cite:Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6RVH
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BU of 6rvh by Molmil
NADH-dependent Coenzyme A Disulfide Reductase soaked with Menadione
Descriptor: COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, MENADIONE, ...
Authors:Koepke, J, Preu, J.
Deposit date:2019-05-31
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Characterization and X-ray structure of the NADH-dependent coenzyme A disulfide reductase from Thermus thermophilus.
Biochim Biophys Acta Bioenerg, 1860, 2019
6RYV
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BU of 6ryv by Molmil
Copper oxidase from Colletotrichum graminicola
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Kelch domain-containing protein, ...
Authors:Offen, W.A, Henrissat, B, Davies, G.J.
Deposit date:2019-06-12
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a Fungal Copper Radical Oxidase with High Catalytic Efficiency toward 5-Hydroxymethylfurfural and Benzyl Alcohols for Bioprocessing
Acs Catalysis, 2020
5M28
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BU of 5m28 by Molmil
Maltodextrin binding protein MalE1 from L. casei BL23 bound to maltotriose
Descriptor: CHLORIDE ION, MalE1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Homburg, C, Bommer, M, Wuttge, S, Hobe, C, Beck, S, Dobbek, H, Deutscher, J, Licht, A, Schneider, E.
Deposit date:2016-10-12
Release date:2017-07-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.079 Å)
Cite:Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr.
Mol. Microbiol., 105, 2017
5LCV
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BU of 5lcv by Molmil
Structural basis of Zika and Dengue virus potent antibody cross-neutralization
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11, FORMIC ACID, ...
Authors:Barba-Spaeth, G.
Deposit date:2016-06-22
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural basis of potent Zika-dengue virus antibody cross-neutralization.
Nature, 536, 2016
6DQ7
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BU of 6dq7 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE POTENTIAL HYDROLYSIS PRODUCT OF INHIBITOR N45 i.e. 3-((6-(4-(2-cyano-3-methylbut-2-enoyl)-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Linked KDM5A Jmj Domain, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Structure-based Engineering of Reversible Covalent Inhibitors Against Histone Lysine Demethylase 5A
To Be Published
5LKY
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BU of 5lky by Molmil
X-ray crystal structure of N-acetylneuraminic acid lyase in complex with pyruvate, with the phenylalanine at position 190 replaced with the non-canonical amino acid dihydroxypropylcysteine.
Descriptor: DI(HYDROXYETHYL)ETHER, N-acetylneuraminate lyase
Authors:Windle, C.L, Trinh, C.H, Pearson, A.R, Nelson, A.S, Berry, A.
Deposit date:2016-07-25
Release date:2017-03-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Extending enzyme molecular recognition with an expanded amino acid alphabet.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

224201

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