8H4H
 
 | | The apo structure of Aspergillomarasmine A synthetase | | Descriptor: | Rhodanese domain-containing protein | | Authors: | Lu, M, Zhang, J, Wang, Z, Han, L. | | Deposit date: | 2022-10-10 | | Release date: | 2023-10-18 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Investigation of AMA Synthase from Pyrenophora teres f. teres 0-1 for the Synthesis of Aspergillomarasmine A Analogues and Non-Canonical Amino Acids
Adv.Synth.Catal., 366, 2024
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9G2A
 | | Staphylococcus aureus MazF in complex with nanobody 4 | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endoribonuclease MazF, ... | | Authors: | Prolic-Kalinsek, M, Zorzini, V, Haesaerts, S, Loris, R. | | Deposit date: | 2024-07-10 | | Release date: | 2024-07-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.046594 Å) | | Cite: | Staphylococcus aureus MazF in complex with nanobody 4.
To Be Published
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8OPN
 | | Human Coronavirus HKU1 spike glycoprotein in complex with an alpha2,8-linked 9-O-acetylated disialoside (1-up state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-8)-N-acetyl-alpha-neuraminic acid, ... | | Authors: | Pronker, M.F, Creutznacher, R, Hurdiss, D.L. | | Deposit date: | 2023-04-07 | | Release date: | 2023-08-02 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Sialoglycan binding triggers spike opening in a human coronavirus.
Nature, 624, 2023
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4XYQ
 | | Structure of AgrA LytTR domain in complex with promoters | | Descriptor: | 1,2-ETHANEDIOL, Accessory gene regulator A, DNA (5'-D(*AP*AP*TP*AP*CP*TP*TP*AP*AP*CP*TP*GP*TP*TP*AP*A)-3'), ... | | Authors: | Gopal, B, Rajasree, K. | | Deposit date: | 2015-02-03 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Conformational features of theStaphylococcus aureusAgrA-promoter interactions rationalize quorum-sensing triggered gene expression.
Biochem Biophys Rep, 6, 2016
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9C4Y
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5IUG
 | | Crystal Structure of Anaplastic Lymphoma Kinase (ALK) in complex with 5a | | Descriptor: | ALK tyrosine kinase receptor, N-[3-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide | | Authors: | Tu, C.H, Wu, S.Y. | | Deposit date: | 2016-03-18 | | Release date: | 2016-05-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Pyrazolylamine Derivatives Reveal the Conformational Switching between Type I and Type II Binding Modes of Anaplastic Lymphoma Kinase (ALK).
J.Med.Chem., 59, 2016
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5WP9
 | | Structural Basis of Mitochondrial Receptor Binding and Constriction by Dynamin-Related Protein 1 | | Descriptor: | Dynamin-1-like protein, MAGNESIUM ION, Mitochondrial dynamics protein MID49, ... | | Authors: | Kalia, R, Wang, R.Y.R, Yusuf, A, Thomas, P.V, Agard, D.A, Shaw, J.M, Frost, A. | | Deposit date: | 2017-08-03 | | Release date: | 2018-06-20 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.22 Å) | | Cite: | Structural basis of mitochondrial receptor binding and constriction by DRP1.
Nature, 558, 2018
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7TB0
 | | E. faecium MurAA in complex with fosfomycin and UNAG | | Descriptor: | CHLORIDE ION, POTASSIUM ION, SODIUM ION, ... | | Authors: | Zhou, Y, Shamoo, Y. | | Deposit date: | 2021-12-21 | | Release date: | 2022-12-28 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Enolpyruvate transferase MurAA A149E , identified during adaptation of Enterococcus faecium to daptomycin, increases stability of MurAA-MurG interaction.
J.Biol.Chem., 299, 2023
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9G2G
 | | Staphylococcus aureus MazF in complex with nanobody 5 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoribonuclease MazF, Nanobody 5 | | Authors: | Prolic-Kalinsek, M, Zorzini, V, Haesaerts, S, Loris, R. | | Deposit date: | 2024-07-10 | | Release date: | 2024-07-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.80048239 Å) | | Cite: | Nanobody-mediated activation and inhibition of Staphylococcus aureus MazF
To Be Published
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5LPB
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9C4U
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9C4Z
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9C4V
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9C4W
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6XEE
 | | Crystal Structure of the PTP1B YopH WPD loop Chimera 4 apo form | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C. | | Deposit date: | 2020-06-12 | | Release date: | 2021-12-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Chem Sci, 13, 2022
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3LEF
 | | Crystal structure of HIV epitope-scaffold 4E10_S0_1Z6NA_001 | | Descriptor: | 1,2-ETHANEDIOL, Uncharacterized protein 4E10_S0_1Z6NA_001 (T18) | | Authors: | Holmes, M.A. | | Deposit date: | 2010-01-14 | | Release date: | 2010-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Computational Design of Epitope-Scaffolds Allows Induction of Antibodies Specific for a Poorly Immunogenic HIV Vaccine Epitope.
Structure, 18, 2010
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5LQU
 | | Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-5-[6-(ethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Catechol O-methyltransferase, ... | | Authors: | Ehler, A, Lerner, C, Ellermann, M, Rudolph, M.G. | | Deposit date: | 2016-08-17 | | Release date: | 2016-10-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-5-[6-(ethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
To be published
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5CK1
 | | selenomethionine BT4246 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, SusD homolog | | Authors: | Koropatkin, N.M. | | Deposit date: | 2015-07-15 | | Release date: | 2016-10-12 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.835 Å) | | Cite: | Mechanistic insight into mucin degradation by the human gut microbiota reveals targeting of the glycoprotein core
to be published
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6XED
 | | Crystal Structure of the PTP1B YopH WPD loop Chimera 3 bound to tungstate | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ... | | Authors: | Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C. | | Deposit date: | 2020-06-12 | | Release date: | 2021-12-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.795 Å) | | Cite: | Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Chem Sci, 13, 2022
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7TCV
 | | VDAC K12E mutant | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Voltage-dependent anion-selective channel protein 1 | | Authors: | Khan, F, Abramson, J. | | Deposit date: | 2021-12-28 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.604 Å) | | Cite: | Dynamical control of the mitochondrial beta-barrel channel VDAC by electrostatic and mechanical coupling
To Be Published
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9JND
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8TS4
 | | Crystal structure of T. Brucei hypoxanthine guanine phosphoribosyltransferase in complex with [2S,4S]-4-Guanin-9-yl-2-(2-phosphonoethoxymethyl)-1-N-(3-phosphonopropionyl)pyrrolidine | | Descriptor: | (3-{(2S,4S)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | | Authors: | Guddat, L.W, Guddat, L.W. | | Deposit date: | 2023-08-10 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
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9FVO
 | | The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Endothiapepsin, ... | | Authors: | Falke, S, Senst, J.M, Guenther, S, Meents, A. | | Deposit date: | 2024-06-27 | | Release date: | 2024-07-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin
To Be Published
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8QXZ
 | | Xylanase from Bacillus circulans mutant E78Q/Y69A | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Endo-1,4-beta-xylanase, ... | | Authors: | Chikunova, A, Saberi, M, Ubbink, M. | | Deposit date: | 2023-10-25 | | Release date: | 2024-08-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Bimodal substrate binding in the active site of the glycosidase BcX.
Febs J., 291, 2024
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4Y2C
 | | M300V 3D polymerase mutant of EMCV | | Descriptor: | GLYCEROL, Genome polyprotein | | Authors: | Verdaguer, N, Ferrer-Orta, C, Vives-Adrian, L. | | Deposit date: | 2015-02-09 | | Release date: | 2015-04-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
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