6Z14
 
 | | Structure of Bifidobacterium bifidum GH20 beta-N-beta-N-acetylhexosaminidase E553Q variant in complex with 4MU-6SGlcNAc-derived oxazoline | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-N-acetylhexosaminidase, NITRATE ION, ... | | Authors: | He, Y, Jin, Y, Rizkallah, P, Chen, P. | | Deposit date: | 2020-05-12 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structure and activity of the GH20 beta-N-beta-N-acetylhexosaminidase from Bifidobacterium bifidum
To Be Published
|
|
8DQM
 | |
7BFZ
 | | X-ray structure of human prostate-specific membrane antigen(PSMA) in complex with a inhibitor Glu-490 | | Descriptor: | (((S)-1-carboxy-5-((E)-2-cyano-3-(5-(1-(3-methoxy-3-oxopropyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophen-2-yl)acrylamido)pentyl)carbamoyl)-L-glutamic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rakhimbekova, A, Motlova, L, Barinka, C. | | Deposit date: | 2021-01-05 | | Release date: | 2021-08-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | A prostate-specific membrane antigen activated molecular rotor for real-time fluorescence imaging.
Nat Commun, 12, 2021
|
|
8E5S
 | |
6ZE6
 | | FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment 4-nitrocatechol | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-NITROCATECHOL, ... | | Authors: | Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J. | | Deposit date: | 2020-06-16 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
7BGG
 | | Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, heterocyclic toxin methyltransferase (Rv0560c) | | Authors: | Denkhaus, L, Sartor, P, Einsle, O, Gerhardt, S, Fetzner, S. | | Deposit date: | 2021-01-07 | | Release date: | 2021-09-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis.
J.Struct.Biol., 213, 2021
|
|
6ZE7
 | | Chaetomium thermophilum FAD-dependent oxidoreductase in complex with 4-nitrophenol | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J. | | Deposit date: | 2020-06-16 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
6ZE3
 | | FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment (4-methoxycarbonylphenyl)methylazanium | | Descriptor: | (4-methoxycarbonylphenyl)methylazanium, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J. | | Deposit date: | 2020-06-16 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
6ZE4
 | | FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide, ... | | Authors: | Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J. | | Deposit date: | 2020-06-16 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
5O6O
 | | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor | | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, 2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Bertoletti, N, Heine, A, Braun, F, Klebe, G, Marchais-Oberwinkler, S. | | Deposit date: | 2017-06-07 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
|
|
1MQ2
 | | Human DNA Polymerase Beta Complexed With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine and dAMP | | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*(8OG)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(2DA))-3', ... | | Authors: | Krahn, J.M, Beard, W.A, Miller, H, Grollman, A.P, Wilson, S.H. | | Deposit date: | 2002-09-13 | | Release date: | 2003-01-28 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of DNA Polymerase beta with the Mutagenic DNA Lesion 8-oxodeoxyguanine Reveals
Structural Insights into its Coding Potential
Structure, 11, 2003
|
|
7BMO
 | | HEWL in cesium chloride (0.25 M CsCl in protein buffer) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Hen egg white lysozyme, ... | | Authors: | Koelmel, W, Kuper, J, Kisker, C. | | Deposit date: | 2021-01-20 | | Release date: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
|
|
7BMT
 | | HEWL in sodium chloride | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme, ... | | Authors: | Koelmel, W, Kuper, J, Kisker, C. | | Deposit date: | 2021-01-20 | | Release date: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
|
|
7BB1
 | | Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Glutamic acid 2:1 | | Descriptor: | ACETATE ION, CHLORIDE ION, CHOLINE ION, ... | | Authors: | Belviso, B.D, Caliandro, R, Carrozzini, B. | | Deposit date: | 2020-12-16 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents
Acs Sustain Chem Eng, 9, 2021
|
|
7B9J
 | | Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Urea 1:2 | | Descriptor: | ACETATE ION, CHLORIDE ION, CHOLINE ION, ... | | Authors: | Belviso, B.D, Caliandro, R, Carrozzini, B. | | Deposit date: | 2020-12-14 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents
Acs Sustain Chem Eng, 9, 2021
|
|
7BAZ
 | | Lysozyme crystallized in the presence of the hydrated deep eutectic solvent Choline chloride-Glycerol 1:2 | | Descriptor: | ACETATE ION, CHLORIDE ION, CHOLINE ION, ... | | Authors: | Belviso, B.D, Caliandro, R, Carrozzini, B. | | Deposit date: | 2020-12-16 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Introducing Protein Crystallization in Hydrated Deep Eutectic Solvents
Acs Sustain Chem Eng, 9, 2021
|
|
7BBG
 | | CRYSTAL STRUCTURE OF HLA-A2-WT1-RMF AND FAB 11D06 | | Descriptor: | Beta-2-microglobulin, Heavy chain of Fab fragment 11D06, Light chain of Fab fragment 11D06, ... | | Authors: | Bujotzek, A, Georges, G, Hanisch, L.J, Klein, C, Benz, J. | | Deposit date: | 2020-12-17 | | Release date: | 2021-10-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Targeting intracellular WT1 in AML with a novel RMF-peptide-MHC-specific T-cell bispecific antibody.
Blood, 138, 2021
|
|
8E5V
 | |
7TNH
 | | Crystal structure of CSF1R kinase domain in complex with DP-6233 | | Descriptor: | 2,2-dimethyl-N-[(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)carbamoyl]propanamide, CHLORIDE ION, Macrophage colony-stimulating factor 1 receptor,Fibroblast growth factor receptor 1 chimera, ... | | Authors: | Edwards, T.E, Arakaki, T.L, Chun, L, Flynn, D.L. | | Deposit date: | 2022-01-21 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of acyl ureas as highly selective small molecule CSF1R kinase inhibitors.
Bioorg.Med.Chem.Lett., 74, 2022
|
|
6W9P
 | | Tel26 Parallel Four-quartet G-quadruplex with K+ | | Descriptor: | DNA (5'-D(P*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*T)-3'), POTASSIUM ION, SODIUM ION | | Authors: | McCarthy, S.E, Yatsunyk, L.A, Beseiso, D, Miao, J. | | Deposit date: | 2020-03-23 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The first crystal structures of hybrid and parallel four-tetrad intramolecular G-quadruplexes.
Nucleic Acids Res., 50, 2022
|
|
5J7Z
 | | Crystal structure of endoglycoceramidase I from Rhodococ-cus equi in complex with GM1 | | Descriptor: | N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)STEARAMIDE, Putative secreted endoglycosylceramidase, SODIUM ION, ... | | Authors: | Chen, L. | | Deposit date: | 2016-04-07 | | Release date: | 2016-04-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural Insights into the Broad Substrate Specificity of a Novel Endoglycoceramidase I Belonging to a New Subfamily of GH5 Glycosidases.
J. Biol. Chem., 292, 2017
|
|
3BV8
 | | Crystal structure of the N-terminal domain of tetrahydrodipicolinate acetyltransferase from Staphylococcus aureus | | Descriptor: | GLYCEROL, SODIUM ION, Tetrahydrodipicolinate acetyltransferase | | Authors: | Cuff, M.E, Duggan, E, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-01-04 | | Release date: | 2008-02-05 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of the N-terminal domain of tetrahydrodipicolinate acetyltransferase from Staphylococcus aureus.
TO BE PUBLISHED
|
|
8E4F
 | | Crystal structure of dihydrofolate reductase (DHFR) from the filarial nematode W. bancrofti in complex with NADPH and folate | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Lange, K, Frey, K.M, Goodey, N.M. | | Deposit date: | 2022-08-18 | | Release date: | 2023-05-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Crystal structure of dihydrofolate reductase from the filarial nematode W. bancrofti in complex with NADPH and folate.
Plos Negl Trop Dis, 17, 2023
|
|
6WB7
 | | Acarbose Kinase AcbK as a Complex with Acarbose and AMP-PNP | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose 7(IV)-phosphotransferase, MANGANESE (II) ION, ... | | Authors: | Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S. | | Deposit date: | 2020-03-26 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | The human microbiome encodes resistance to the antidiabetic drug acarbose.
Nature, 600, 2021
|
|
8DQ2
 | | X-ray crystal structure of Hansschlegelia quercus lanmodulin (LanM) with lanthanum (III) bound at pH 7 | | Descriptor: | CITRIC ACID, EF-hand domain-containing protein, LANTHANUM (III) ION, ... | | Authors: | Jung, J.J, Lin, C.-Y, Boal, A.K. | | Deposit date: | 2022-07-18 | | Release date: | 2023-06-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Enhanced rare-earth separation with a metal-sensitive lanmodulin dimer.
Nature, 618, 2023
|
|
