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8ULE
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BU of 8ule by Molmil
The structure of NanH in complex with Neu5,9Ac
Descriptor: 1,2-ETHANEDIOL, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, Sialidase
Authors:Medley, B.J, Boraston, A.B.
Deposit date:2023-10-16
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A terminal case of glycan catabolism structural and enzymatic characterization of the sialidases of Clostridium perfringens
To Be Published
8UM0
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BU of 8um0 by Molmil
The structure of NanH in complex with Neu5,7,9Ac(2,6)-LAcNAc
Descriptor: 1,2-ETHANEDIOL, 5-acetamido-7,9-di-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, Sialidase, ...
Authors:Medley, B.J, Boraston, A.B.
Deposit date:2023-10-17
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:A terminal case of glycan catabolismstructural and enzymatic characterization of thesialidases of Clostridium perfringens
To Be Published
8U2A
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BU of 8u2a by Molmil
Crystal structure of NanI in complex with Neu5,9Ac
Descriptor: 1,2-ETHANEDIOL, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, Exo-alpha-sialidase, ...
Authors:Medley, B.J, Boraston, A.B.
Deposit date:2023-09-05
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A terminal case of glycan catabolism: structural and enzymatic characterization of the sialidases of Clostridium perfringens
To Be Published
8U5O
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BU of 8u5o by Molmil
The structure of the catalytic domain of NanI sialdase in complex with Neu5Gc
Descriptor: CALCIUM ION, Exo-alpha-sialidase, N-glycolyl-alpha-neuraminic acid, ...
Authors:Medley, B.J, Low, K.E, Garber, J.M, Gray, T.E, Liu, L, Klassen, L, Fordwour, O.B, Inglis, G.D, Boons, G.J, Zandberg, W.F, Abbott, W.D, Boraston, A.B.
Deposit date:2023-09-12
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A terminal case of glycan catabolism structural and enzymatic characterization of the sialidases of Clostridium perfringens
To Be Published
7MW7
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BU of 7mw7 by Molmil
Crystal structure of P1G mutant of D-dopachrome tautomerase
Descriptor: D-dopachrome decarboxylase, SODIUM ION, SULFATE ION
Authors:Manjula, R, Murphy, E.L, Murphy, J.W, Lolis, E.
Deposit date:2021-05-15
Release date:2021-08-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:A structurally preserved allosteric site in the MIF superfamily affects enzymatic activity and CD74 activation in D-dopachrome tautomerase.
J.Biol.Chem., 297, 2021
6P7L
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BU of 6p7l by Molmil
1.8 Angstrom structure of Aln2 from Streptomyces sp. CM020
Descriptor: Aln2, GLYCEROL
Authors:Vuksanovic, N, Silvaggi, N.R.
Deposit date:2019-06-06
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural characterization of three noncanonical NTF2-like superfamily proteins: implications for polyketide biosynthesis.
Acta Crystallogr.,Sect.F, 76, 2020
6PQ1
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BU of 6pq1 by Molmil
Structure of the Fremyella diplosiphon OCP1
Descriptor: Orange carotenoid-binding protein, beta,beta-carotene-4,4'-dione
Authors:Sutter, M, Dominguez-Martin, M.A, Bao, H, Kerfeld, C.A.
Deposit date:2019-07-08
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Comparative ultrafast spectroscopy and structural analysis of OCP1 and OCP2 from Tolypothrix.
Biochim Biophys Acta Bioenerg, 1861, 2020
8SKQ
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BU of 8skq by Molmil
RNA oligonucleotide containing an alpha-(L)-threofuranosyl nucleic acid (TNA)
Descriptor: TNA-containing RNA oligonucleotide
Authors:Harp, J.M, Egli, M.
Deposit date:2023-04-20
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Shorter Is Better: The alpha-(l)-Threofuranosyl Nucleic Acid Modification Improves Stability, Potency, Safety, and Ago2 Binding and Mitigates Off-Target Effects of Small Interfering RNAs.
J.Am.Chem.Soc., 145, 2023
2C4N
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BU of 2c4n by Molmil
NagD from E.coli K-12 strain
Descriptor: MAGNESIUM ION, PHOSPHATE ION, PROTEIN NAGD
Authors:Tremblay, L.W, Dunaway-Mariano, D, Allen, K.
Deposit date:2005-10-20
Release date:2006-01-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and Activity Analyses of Escherichia Coli K-12 Nagd Provide Insight Into the Evolution of Biochemical Function in the Haloalkanoic Acid Dehalogenase Superfamily
Biochemistry, 45, 2006
7PCU
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BU of 7pcu by Molmil
Crystal structure of YTHDF1 YTH domain in complex with ebselen
Descriptor: N-phenyl-2-selanylbenzamide, YTH domain-containing family protein 1
Authors:Dalle Vedove, A, Cazzanelli, G, Quattrone, A, Provenzani, A, Lolli, G.
Deposit date:2021-08-04
Release date:2022-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Small-Molecule Ebselen Binds to YTHDF Proteins Interfering with the Recognition of N 6 -Methyladenosine-Modified RNAs.
Acs Pharmacol Transl Sci, 5, 2022
8RXR
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BU of 8rxr by Molmil
Crystal structure of VPS34 in complex with inhibitor SB02024
Descriptor: 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M.
Deposit date:2024-02-07
Release date:2024-03-20
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy.
Mol Oncol, 18, 2024
6PPC
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BU of 6ppc by Molmil
Solution structure of conotoxin MiXXVIIA
Descriptor: Conopeptide phi-MiXXVIIA
Authors:Daly, N.L, Dekan, Z, Jin, A.H, Alewood, P.F.
Deposit date:2019-07-06
Release date:2019-08-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Conotoxin phi-MiXXVIIA from the Superfamily G2 Employs a Novel Cysteine Framework that Mimics Granulin and Displays Anti-Apoptotic Activity.
Angew. Chem. Int. Ed. Engl., 56, 2017
8UVV
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BU of 8uvv by Molmil
The NanJ sialidase catalytic domain in complex with Neu5Ac
Descriptor: CHLORIDE ION, Exo-alpha-sialidase NanJ, N-acetyl-alpha-neuraminic acid
Authors:Medley, B.J, Boraston, A.B.
Deposit date:2023-11-04
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A terminal case of glycan catabolism structural and enzymatic characterization of the sialidases of Clostridium perfringens
To Be Published
6QAJ
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BU of 6qaj by Molmil
Structure of the tripartite motif of KAP1/TRIM28
Descriptor: Endolysin,Transcription intermediary factor 1-beta, ZINC ION
Authors:Stoll, G.A, Oda, S, Yu, M, Modis, Y.
Deposit date:2018-12-19
Release date:2019-07-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Structure of KAP1 tripartite motif identifies molecular interfaces required for retroelement silencing.
Proc.Natl.Acad.Sci.USA, 116, 2019
8BN8
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BU of 8bn8 by Molmil
METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM3006
Descriptor: 2-[[4-(6-bromanyl-2~{H}-indazol-4-yl)-1,2,3-triazol-1-yl]methyl]-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit
Authors:Pilka, E.S, Thomas, B, Blackaby, W, Hardick, D, Feeney, K, Ridgill, M, Rotty, B, Rausch, O.
Deposit date:2022-11-13
Release date:2023-09-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.213 Å)
Cite:Inhibition of METTL3 Results in a Cell-Intrinsic Interferon Response That Enhances Antitumor Immunity.
Cancer Discov, 13, 2023
7JO8
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BU of 7jo8 by Molmil
Crystal structure of a Chimeric Antigen Receptor (CAR) scFv domain rearrangement forming a VL-VL dimer
Descriptor: 47G4-CD828Z, MALONATE ION, PENTAETHYLENE GLYCOL, ...
Authors:Cheung, J, Hendrickson, W.A, Kochenderfer, J.N, Youkharibache, P.
Deposit date:2020-08-06
Release date:2021-02-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Crystal Structure of a Chimeric Antigen Receptor (CAR) scFv Domain Rearrangement Forming a VL-VL Dimer
Crystals, 13, 2023
7PJJ
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BU of 7pjj by Molmil
Structure of the Family-3 Glycosyl Hydrolase BcpE2 from Streptomyces scabies
Descriptor: Beta-glucosidase, GLYCEROL
Authors:Jadot, C, Herman, R, Deflandre, B, Rigali, S, Kerff, F.
Deposit date:2021-08-24
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.086 Å)
Cite:Structure and Function of BcpE2, the Most Promiscuous GH3-Family Glucose Scavenging Beta-Glucosidase.
Mbio, 13, 2022
7BJ1
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BU of 7bj1 by Molmil
Crystal structure of SMYD3 with diperodon S enantiomer bound to allosteric site
Descriptor: ACETATE ION, Diperodon (S-enantiomer), GLYCEROL, ...
Authors:Talibov, V.O, Cederfelt, D, Dobritzsch, D, Danielson, U.H.
Deposit date:2021-01-13
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase
Chembiochem, 22, 2021
8TJ2
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BU of 8tj2 by Molmil
CryoEM structure of Myxococcus xanthus type IV pilus
Descriptor: Type IV major pilin protein PilA
Authors:Zheng, W, Egelman, E.H.
Deposit date:2023-07-20
Release date:2023-08-09
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Tight-packing of large pilin subunits provides distinct structural and mechanical properties for the Myxococcus xanthus type IVa pilus.
Proc.Natl.Acad.Sci.USA, 121, 2024
7KM4
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BU of 7km4 by Molmil
Crystal Structure of Oxidized Version of Redox-Sensitive Superfolder Green Fluorescent Protein
Descriptor: Green fluorescent protein
Authors:Nguyen, T, Nicely, N.I, McCafferty, D.G.
Deposit date:2020-11-02
Release date:2021-11-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structure of Oxidized Version of Redox-Sensitive Superfolder Green Fluorescent Protein
To be Published
6FWX
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BU of 6fwx by Molmil
Chimeric titin Z1Z2-Z1Z2 tandem (Z1212) functionalized with a GRGDS exogenous peptide from fibronectin
Descriptor: 1,2-ETHANEDIOL, Titin,Titin,Titin
Authors:Mayans, O, Fleming, J, Hill, C.
Deposit date:2018-03-07
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Self-Assembling Proteins as High-Performance Substrates for Embryonic Stem Cell Self-Renewal.
Adv. Mater. Weinheim, 31, 2019
6EP9
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BU of 6ep9 by Molmil
Crystal structure of BTK kinase domain complexed with N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide
Descriptor: N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide, Tyrosine-protein kinase BTK
Authors:Kuglstatter, A, Wong, A.
Deposit date:2017-10-11
Release date:2018-08-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J.Comput.Aided Mol.Des., 33, 2019
5I20
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BU of 5i20 by Molmil
Crystal structure of protein
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, SULFATE ION, Uncharacterized protein
Authors:Ishitani, R, Nureki, O.
Deposit date:2016-02-08
Release date:2016-06-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for amino acid export by DMT superfamily transporter YddG.
Nature, 534, 2016
1JPD
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BU of 1jpd by Molmil
L-Ala-D/L-Glu Epimerase
Descriptor: L-Ala-D/L-Glu Epimerase
Authors:Gulick, A.M, Schmidt, D.M.Z, Gerlt, J.A, Rayment, I.
Deposit date:2001-08-01
Release date:2001-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Evolution of enzymatic activities in the enolase superfamily: crystal structures of the L-Ala-D/L-Glu epimerases from Escherichia coli and Bacillus subtilis.
Biochemistry, 40, 2001
7FEK
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BU of 7fek by Molmil
The 1.05 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with perfluorooctanoic acid
Descriptor: DI(HYDROXYETHYL)ETHER, Fatty acid-binding protein, heart, ...
Authors:Sugiyama, S, Kakinouchi, K, Hara, T, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M.
Deposit date:2021-07-21
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:The 1.05 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with perfluorooctanoic acid
To Be Published

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數據於2024-09-11公開中

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