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8EM5
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BU of 8em5 by Molmil
Mycobacterium thermoresistible MmpS5
Descriptor: DODECAETHYLENE GLYCOL, GLYCEROL, IODIDE ION, ...
Authors:Cuthbert, B.J, Goulding, C.W.
Deposit date:2022-09-26
Release date:2023-09-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The structure of Mycobacterium thermoresistibile MmpS5 reveals a conserved disulfide bond across mycobacteria.
Metallomics, 16, 2024
8P6G
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BU of 8p6g by Molmil
Crystal structure of the improved version of the Genetically Encoded Green Calcium Indicator YTnC2-5
Descriptor: DI(HYDROXYETHYL)ETHER, Genetically Encoded Green Calcium Indicator YTnC2-5 based on Troponin C from toadfish
Authors:Boyko, K.M, Nikolaeva, A.Y, Subach, O.M, Vlaskina, A.V, Agapova, Y.K, Popov, V.O, Subach, F.V.
Deposit date:2023-05-26
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:YTnC2, an improved genetically encoded green calcium indicator based on toadfish troponin C.
Febs Open Bio, 13, 2023
8P37
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BU of 8p37 by Molmil
Structure a catalytically inactive mutant of the IMP dehydrogenase related protein GUAB3 from Synechocystis PCC 6803
Descriptor: IMP dehydrogenase subunit, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, XANTHOSINE-5'-MONOPHOSPHATE
Authors:Hernandez-Gomez, A, Fernandez-Justel, D, Buey, R.M.
Deposit date:2023-05-17
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.219 Å)
Cite:GuaB3, an overlooked enzyme in cyanobacteria's toolbox that sheds light on IMP dehydrogenase evolution.
Structure, 31, 2023
7UVA
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BU of 7uva by Molmil
Crystal structure of KDM2A histone demethylase catalytic domain in complex with an H3C36 peptide modified by UNC8015
Descriptor: FE (III) ION, Histone H3.2, Lysine-specific demethylase 2A, ...
Authors:Budziszewski, G.R, Azzam, D.N, Spangler, C.J, Skrajna, A, Foley, C.A, James, L.I, Frye, S.V, McGinty, R.K.
Deposit date:2022-04-29
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural basis of paralog-specific KDM2A/B nucleosome recognition.
Nat.Chem.Biol., 19, 2023
6X7E
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BU of 6x7e by Molmil
Co-bound structure of an engineered protein trimer, TriCyt3, with delta isomerism at the hexahistidine coordination site
Descriptor: CHLORIDE ION, COBALT (II) ION, HEME C, ...
Authors:Tezcan, F.A, Kakkis, A.
Deposit date:2020-05-29
Release date:2020-09-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9987 Å)
Cite:Metal-Templated Design of Chemically Switchable Protein Assemblies with High-Affinity Coordination Sites.
Angew.Chem.Int.Ed.Engl., 59, 2020
7UI4
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BU of 7ui4 by Molmil
Crystal structure of the DNA preQ0 insertase DpdA
Descriptor: DNA-guanine transglycosylase, ZINC ION
Authors:Hung, S.-H, Swairjo, M.A.
Deposit date:2022-03-28
Release date:2023-02-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:7-Deazaguanines in DNA: functional and structural elucidation of a DNA modification system.
Nucleic Acids Res., 51, 2023
8OJX
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BU of 8ojx by Molmil
Streptavidin S112YK121E artificial metalloenzyme for carboamination
Descriptor: IRIDIUM ION, Streptavidin, trichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+)
Authors:Igareta, N.V, Ward, T.R.
Deposit date:2023-03-25
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Streptavidin WT artificial metalloenzyme for carboamination
To Be Published
8EM3
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BU of 8em3 by Molmil
Carbonic Anhydrase II in complex with the diaryl urea molecule J2
Descriptor: 4-[(3-methoxyphenyl)carbamamido]benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Combs, J, McKenna, R.
Deposit date:2022-09-26
Release date:2023-09-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Prospective Diaryl urea: Prevent growth of breast cancer cells by inhibition and down-regulation of Carbonic Anhydrase IX.
To Be Published
6X83
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BU of 6x83 by Molmil
Crystal Structure of TNFalpha with fragment compound 6
Descriptor: 1-benzyl-1H-benzimidazole, Tumor necrosis factor
Authors:Longenecker, K.L, Stoll, V.S.
Deposit date:2020-06-01
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
5LFR
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BU of 5lfr by Molmil
Crystal structure of glycosylated Myelin-associated glycoprotein (MAG) Ig1-3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Myelin-associated glycoprotein, ...
Authors:Pronker, M.F, Janssen, B.J.C.
Deposit date:2016-07-04
Release date:2016-12-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural basis of myelin-associated glycoprotein adhesion and signalling.
Nat Commun, 7, 2016
7UVH
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BU of 7uvh by Molmil
Pfs230 domain 1 bound by RUPA-32 Fab
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMMONIUM ION, ...
Authors:Ivanochko, D, Newton, J, Julien, J.P.
Deposit date:2022-05-02
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230.
Immunity, 56, 2023
8F22
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BU of 8f22 by Molmil
HIV-CA Disulfide linked Hexamer bound to 11l capsid inhibitor.
Descriptor: Capsid protein p24, Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
Authors:Barnett, M.J, Goldstone, D.C.
Deposit date:2022-11-06
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a benzosulfonamide based inhibitor - bound to a disulfide stabilised HIV-1 capsid hexamer
Biorxiv, 2023
8EGZ
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BU of 8egz by Molmil
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate
Descriptor: 1,2-ETHANEDIOL, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, POTASSIUM ION, ...
Authors:Porter, N.J, Almhjell, P.J, Arnold, F.H.
Deposit date:2022-09-13
Release date:2023-10-04
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
7UK7
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BU of 7uk7 by Molmil
YjfC from Escherichia coli K-12 in complex with ADP, Mg2+ and SO4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative acid--amine ligase YjfC, ...
Authors:Pederick, J.L, Bruning, J.B.
Deposit date:2022-03-31
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Escherichia coli YgiC and YjfC Possess Peptide─Spermidine Ligase Activity.
Biochemistry, 62, 2023
6X9B
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BU of 6x9b by Molmil
Structure of proline utilization A with cis-4-hydroxy-D-proline bound in the L-glutamate-gamma-semialdehyde dehydrogenase active site
Descriptor: (4R)-4-hydroxy-D-proline, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
Authors:Tanner, J.J, Campbell, A.C.
Deposit date:2020-06-02
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural analysis of prolines and hydroxyprolines binding to the l-glutamate-gamma-semialdehyde dehydrogenase active site of bifunctional proline utilization A.
Arch.Biochem.Biophys., 698, 2020
8EO7
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BU of 8eo7 by Molmil
Crystal structure of metagenomic beta-lactamase LRA-5 Y69Q/V166E mutant at 2.15 Angstrom resolution
Descriptor: beta-lactamase
Authors:Power, P, D'Amico Gonzalez, G, Centron, D, Gutkind, G, Handelsman, J, Klinke, S.
Deposit date:2022-10-02
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions
to be published
5LGV
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BU of 5lgv by Molmil
GlgE isoform 1 from Streptomyces coelicolor E423A mutant soaked in maltooctaose
Descriptor: Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Syson, K, Stevenson, C.E.M, Mia, F, Barclay, J.E, Tang, M, Gorelik, A, Rashid, A.M, Lawson, D.M, Bornemann, S.
Deposit date:2016-07-08
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE.
J.Biol.Chem., 291, 2016
8EH0
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BU of 8eh0 by Molmil
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with quinoline N-oxide
Descriptor: 1,2-ETHANEDIOL, 1-oxo-1lambda~5~-quinoline, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
Authors:Porter, N.J, Almhjell, P.J, Arnold, F.H.
Deposit date:2022-09-13
Release date:2023-10-04
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
6XB0
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BU of 6xb0 by Molmil
Room temperature X-ray crystallography reveals catalytic cysteine in the SARS-CoV-2 3CL Mpro is highly reactive: Insights for enzyme mechanism and drug design
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Kneller, D.W, Kovalevsky, A, Coates, L.
Deposit date:2020-06-05
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design.
Iucrj, 7, 2020
8EML
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BU of 8eml by Molmil
Crystal Structure of Gsx2 Homeodomain in Complex with DNA
Descriptor: DNA (5'-D(P*GP*AP*GP*CP*TP*AP*AP*TP*TP*AP*AP*AP*GP*C)-3'), DNA (5'-D(P*GP*CP*TP*TP*TP*AP*AP*TP*TP*AP*GP*CP*TP*C)-3'), GS homeobox 2, ...
Authors:Webb, J.A, Kovall, R.A.
Deposit date:2022-09-28
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal Structure of Gsx2 Homeodomain in Complex with DNA
To Be Published
5LKQ
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BU of 5lkq by Molmil
Protease domain of RadA
Descriptor: DNA repair protein RadA
Authors:Rapisarda, C, Fronzes, R.
Deposit date:2016-07-22
Release date:2017-06-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Bacterial RadA is a DnaB-type helicase interacting with RecA to promote bidirectional D-loop extension.
Nat Commun, 8, 2017
6XB6
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BU of 6xb6 by Molmil
Structure of Danaus plexippus poxin cGAMP nuclease
Descriptor: Poxin
Authors:Eaglesham, J.B, McCarty, K.L, Kranzusch, P.J.
Deposit date:2020-06-05
Release date:2020-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structures of diverse poxin cGAMP nucleases reveal a widespread role for cGAS-STING evasion in host-pathogen conflict.
Elife, 9, 2020
8OIO
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BU of 8oio by Molmil
Crystal structure of the kelch domain of human KLHL12 in complex with PLEKHA4 peptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Kelch-like protein 12, ...
Authors:Dalietou, E.V, Chen, Z, Ramdass, A.E, Manning, C, Richardson, W, Aitmakhanova, K, Platt, M, Pike, A.C.W, Fedorov, O, Brennan, P, Bullock, A.N.
Deposit date:2023-03-23
Release date:2024-04-03
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Crystal structure of the kelch domain of human KLHL12 in complex with PLEKHA4 peptide
To Be Published
8EKG
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BU of 8ekg by Molmil
MHETase variant Thr159Val, Met192Tyr, Tyr252Phe, Tyr503Trp
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Saunders, J.W, Frkic, R.L, Jackson, C.J.
Deposit date:2022-09-20
Release date:2023-10-18
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Increasing the Soluble Expression and Whole-Cell Activity of the Plastic-Degrading Enzyme MHETase through Consensus Design.
Biochemistry, 63, 2024
8OK1
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BU of 8ok1 by Molmil
WD repeat containing protein 5 (WDR5)- N225A mutant
Descriptor: Glutathione S-transferase class-mu 26 kDa isozyme,WD repeat-containing protein 5
Authors:Wolf, E, Boergel, A.
Deposit date:2023-03-26
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:A structural competition involving WDR5 times circadian oscillations
To Be Published

224201

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