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6ZPV
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BU of 6zpv by Molmil
Structure of Unliganded MgGH51 a-L-Arabinofuranosidase Crystal Type 3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ...
Authors:McGregor, N.G.S, Davies, G.J.
Deposit date:2020-07-09
Release date:2020-11-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of a GH51 alpha-L-arabinofuranosidase from Meripilus giganteus: conserved substrate recognition from bacteria to fungi.
Acta Crystallogr D Struct Biol, 76, 2020
6ZQ0
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BU of 6zq0 by Molmil
Structure of a-l-AraAZI-Bound MgGH51 a-L-Arabinofuranosidase Crystal Type 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, MgGH51, ...
Authors:McGregor, N.G.S, Davies, G.J.
Deposit date:2020-07-09
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structure of a GH51 alpha-L-arabinofuranosidase from Meripilus giganteus: conserved substrate recognition from bacteria to fungi.
Acta Crystallogr D Struct Biol, 76, 2020
6ZPW
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BU of 6zpw by Molmil
Structure of Unliganded MgGH51 a-L-Arabinofuranosidase Crystal Type 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ...
Authors:McGregor, N.G.S, Davies, G.J.
Deposit date:2020-07-09
Release date:2020-11-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.329 Å)
Cite:Structure of a GH51 alpha-L-arabinofuranosidase from Meripilus giganteus: conserved substrate recognition from bacteria to fungi.
Acta Crystallogr D Struct Biol, 76, 2020
6ZPZ
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BU of 6zpz by Molmil
Structure of a-l-AraCS-Bound MgGH51 a-L-Arabinofuranosidase Crystal Type 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, MgGH51, ...
Authors:McGregor, N.G.S, Davies, G.J.
Deposit date:2020-07-09
Release date:2020-11-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure of a GH51 alpha-L-arabinofuranosidase from Meripilus giganteus: conserved substrate recognition from bacteria to fungi.
Acta Crystallogr D Struct Biol, 76, 2020
5UZP
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BU of 5uzp by Molmil
Crystal structure of citrate synthase mutant A348G from homo sapiens
Descriptor: Citrate synthase, mitochondrial, OXALOACETATE ION
Authors:Schlachter, C, Chruszcz, M.
Deposit date:2017-02-27
Release date:2018-03-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Comparative studies of Aspergillus fumigatus 2-methylcitrate synthase and human citrate synthase.
Biol.Chem., 400, 2019
6ZXN
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BU of 6zxn by Molmil
Cryo-EM structure of the SARS-CoV-2 spike protein bound to neutralizing nanobodies (Ty1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Ty1, ...
Authors:Hallberg, B.M, Das, H.
Deposit date:2020-07-30
Release date:2020-09-23
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:An alpaca nanobody neutralizes SARS-CoV-2 by blocking receptor interaction.
Nat Commun, 11, 2020
5UQS
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BU of 5uqs by Molmil
Crystal structure of Citrate synthase from Sus scrofa
Descriptor: CHLORIDE ION, Citrate synthase, mitochondrial
Authors:Schlachter, C, Chruszcz, M.
Deposit date:2017-02-08
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Comparative studies of Aspergillus fumigatus 2-methylcitrate synthase and human citrate synthase.
Biol.Chem., 400, 2019
7A0L
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BU of 7a0l by Molmil
Joint neutron/X-ray room temperature structure of perdeuterated Aspergillus flavus urate oxidase in complex with the 8-azaxanthine inhibitor and catalytic water bound in the peroxo hole
Descriptor: 8-AZAXANTHINE, SODIUM ION, Uricase
Authors:McGregor, L, Bui, S, Blakeley, M.P, Steiner, R.A.
Deposit date:2020-08-09
Release date:2020-12-09
Last modified:2024-05-01
Method:NEUTRON DIFFRACTION (1.33 Å), X-RAY DIFFRACTION
Cite:Joint neutron/X-ray crystal structure of a mechanistically relevant complex of perdeuterated urate oxidase and simulations provide insight into the hydration step of catalysis.
Iucrj, 8, 2021
6ZQ1
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BU of 6zq1 by Molmil
Structure of AraDNJ-Bound MgGH51 a-L-Arabinofuranosidase Crystal Type 1
Descriptor: 1,4-DIDEOXY-1,4-IMINO-L-ARABINITOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:McGregor, N.G.S, Davies, G.J.
Deposit date:2020-07-09
Release date:2020-11-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of a GH51 alpha-L-arabinofuranosidase from Meripilus giganteus: conserved substrate recognition from bacteria to fungi.
Acta Crystallogr D Struct Biol, 76, 2020
6O5E
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BU of 6o5e by Molmil
Crystal structure of the Vitronectin hemopexin-like domain
Descriptor: CHLORIDE ION, IMIDAZOLE, NITRATE ION, ...
Authors:Lechtenberg, B.C, Shin, K, Marassi, F.M.
Deposit date:2019-03-01
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of human Vitronectin C-terminal domain and interaction withYersinia pestisouter membrane protein Ail.
Sci Adv, 5, 2019
6GGC
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BU of 6ggc by Molmil
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9320
Descriptor: 1,2-ETHANEDIOL, Cellular tumor antigen p53, GLYCEROL, ...
Authors:Joerger, A.C.
Deposit date:2018-05-03
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
1OKJ
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BU of 1okj by Molmil
crystal structure of the essential E. coli YeaZ protein by MAD method using the gadolinium complex "DOTMA"
Descriptor: GADOLINIUM ION, TRNA THREONYLCARBAMOYLADENOSINE BIOSYNTHESIS PROTEIN TSAB
Authors:Abergel, C, Jeudy, S, Claverie, J.M.
Deposit date:2003-07-26
Release date:2004-09-16
Last modified:2014-07-23
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:A Complement to the Modern Crystallographer'S Toolbox: Caged Gadolinium Complexes with Versatile Binding Modes.
Acta Crystallogr.,Sect.D, 70, 2014
6GGF
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BU of 6ggf by Molmil
Structure of the p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9328
Descriptor: Cellular tumor antigen p53, GLYCEROL, ZINC ION, ...
Authors:Joerger, A.C, Bauer, M.R.
Deposit date:2018-05-03
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.32000017 Å)
Cite:A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
6P0B
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BU of 6p0b by Molmil
Human DNA Ligase 1 (E346A/E592A) Bound to an Adenylated, dideoxy Terminated DNA nick with 200 mM Mg2+
Descriptor: ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), ...
Authors:Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A.
Deposit date:2019-05-16
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Two-tiered enforcement of high-fidelity DNA ligation.
Nat Commun, 10, 2019
6IC4
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BU of 6ic4 by Molmil
Cryo-EM structure of the A. baumannii MLA complex at 8.7 A resolution
Descriptor: ABC transporter ATP-binding protein, ABC transporter permease, Toluene tolerance efflux transporter (ABC superfamily, ...
Authors:Bergeron, J.R, Kollman, J.M.
Deposit date:2018-12-02
Release date:2019-01-23
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8.7 Å)
Cite:The Acinetobacter baumannii Mla system and glycerophospholipid transport to the outer membrane.
Elife, 8, 2019
3O24
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BU of 3o24 by Molmil
Crystal structure of the brevianamide F prenyltransferase FtmPT1 from Aspergillus fumigatus
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Brevianamide F prenyltransferase, CHLORIDE ION, ...
Authors:Jost, M, Zocher, G.E, Stehle, T.
Deposit date:2010-07-22
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-function analysis of an enzymatic prenyl transfer reaction identifies a reaction chamber with modifiable specificity.
J.Am.Chem.Soc., 132, 2010
5VWT
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BU of 5vwt by Molmil
Crystal structure of oxidized Aspergillus fumigatus UDP-galactopyranose mutase complexed with NADPH
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
Authors:Tanner, J.J.
Deposit date:2017-05-22
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Identification of the NAD(P)H binding site of eukaryotic UDP-galactopyranose mutase.
J. Am. Chem. Soc., 134, 2012
5VWU
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BU of 5vwu by Molmil
Crystal structure of oxidized Aspergillus fumigatus UDP-galactopyranose mutase complexed with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Tanner, J.J.
Deposit date:2017-05-22
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Identification of the NAD(P)H binding site of eukaryotic UDP-galactopyranose mutase.
J. Am. Chem. Soc., 134, 2012
3ZL9
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BU of 3zl9 by Molmil
Crystal structure of the nucleocapsid protein from Schmallenberg virus
Descriptor: NUCLEOCAPSID PROTEIN
Authors:Ariza, A, Tanner, S.J, Walter, C.T, Dent, K.C, Shepherd, D.A, Wu, W, Matthews, S.V, Hiscox, J.A, Green, T.J, Luo, M, Elliot, R.M, Ashcroft, A.E, Stonehouse, N.J, Ranson, N.A, Barr, J.N, Edwards, T.A.
Deposit date:2013-01-29
Release date:2013-05-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Nucleocapsid Protein Structures from Orthobunyaviruses Reveal Insight Into Ribonucleoprotein Architecture and RNA Polymerization.
Nucleic Acids Res., 41, 2013
3ZHF
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BU of 3zhf by Molmil
gamma 2 adaptin EAR domain crystal structure with preS1 site1 peptide NPDWDFN
Descriptor: 1,2-ETHANEDIOL, AP-1 COMPLEX SUBUNIT GAMMA-LIKE 2, DI(HYDROXYETHYL)ETHER, ...
Authors:Juergens, M.C, Voros, J, Rautureau, G, Shepherd, D, Pye, V.E, Muldoon, J, Johnson, C.M, Ashcroft, A, Freund, S.M.V, Ferguson, N.
Deposit date:2012-12-21
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Hepatitis B Virus Pres1 Domain Hijacks Host Trafficking Proteins by Motif Mimicry.
Nat.Chem.Biol., 9, 2013
4BCX
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BU of 4bcx by Molmil
gamma 2 adaptin EAR domain crystal structure
Descriptor: 1,3-PROPANDIOL, AP-1 COMPLEX SUBUNIT GAMMA-LIKE 2, IMIDAZOLE
Authors:Juergens, M.C, Voros, J, Rautureau, G, Shepherd, D, Pye, V.E, Muldoon, J, Johnson, C.M, Ashcroft, A, Freund, S.M.V, Ferguson, N.
Deposit date:2012-10-03
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Hepatitis B Virus Pres1 Domain Hijacks Host Trafficking Proteins by Motif Mimicry.
Nat.Chem.Biol., 9, 2013
6FYM
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BU of 6fym by Molmil
Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor ITK1
Descriptor: 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{H}-quinazolin-4-one, NITRATE ION, Poly [ADP-ribose] polymerase 14
Authors:Karlberg, T, Thorsell, A.G, Kirby, I.T, Sreenivasan, R, Cohen, M.S, Schuler, H.
Deposit date:2018-03-12
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A Potent and Selective PARP11 Inhibitor Suggests Coupling between Cellular Localization and Catalytic Activity.
Cell Chem Biol, 25, 2018
6G1L
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BU of 6g1l by Molmil
MITF/CLEARbox structure
Descriptor: CLEAR-box, Microphthalmia-associated transcription factor
Authors:Pogenberg, V, Wilmanns, M.
Deposit date:2018-03-21
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:MITF has a central role in regulating starvation-induced autophagy in melanoma.
Sci Rep, 9, 2019
6FZM
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BU of 6fzm by Molmil
Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor ITK6
Descriptor: 4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{H}-quinazolin-2-yl)methylsulfanyl]benzoic acid, Poly [ADP-ribose] polymerase 14
Authors:Karlberg, T, Thorsell, A.G, Kirby, I.T, Sreenivasan, R, Cohen, M.S, Schuler, H.
Deposit date:2018-03-15
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:A Potent and Selective PARP11 Inhibitor Suggests Coupling between Cellular Localization and Catalytic Activity.
Cell Chem Biol, 25, 2018
6G0W
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BU of 6g0w by Molmil
Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor MCD72
Descriptor: 4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide, Poly [ADP-ribose] polymerase 14
Authors:Karlberg, T, Thorsell, A.G, Holechek, J, Lease, R, Ferraris, D, Schuler, H.
Deposit date:2018-03-20
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Design, synthesis and evaluation of potent and selective inhibitors of mono-(ADP-ribosyl)transferases PARP10 and PARP14.
Bioorg. Med. Chem. Lett., 28, 2018

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