1EL2
 
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3QVI
 | | Crystal structure of KNI-10395 bound histo-aspartic protease (HAP) from Plasmodium falciparum | | Descriptor: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ... | | Authors: | Bhaumik, P, Gustchina, A, Wlodawer, A. | | Deposit date: | 2011-02-25 | | Release date: | 2011-10-12 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into the activation and inhibition of histo-aspartic protease from Plasmodium falciparum.
Biochemistry, 50, 2011
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6TTT
 | | Crystal structure of the human METTL3-METTL14 complex bound to Compound 2 (ASI_M3M_140) | | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-12-30 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
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6KSY
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6KOC
 | | X-ray Structure of the proton-pumping cytochrome aa3-600 menaquinol oxidase from Bacillus subtilis complexed with 3-iodo-N-oxo-2-heptyl-4-hydroxyquinoline | | Descriptor: | 2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one, AA3-600 quinol oxidase subunit I, AA3-600 quinol oxidase subunit IIII, ... | | Authors: | Xu, J, Ding, Z, Liu, B, Li, J, Gennis, R.B, Zhu, J. | | Deposit date: | 2019-08-09 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structure of the cytochromeaa3-600 heme-copper menaquinol oxidase bound to inhibitor HQNO shows TM0 is part of the quinol binding site.
Proc.Natl.Acad.Sci.USA, 117, 2020
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1EOO
 | | ECORV BOUND TO COGNATE DNA | | Descriptor: | DNA (5'-D(*GP*AP*AP*GP*AP*TP*AP*TP*CP*TP*TP*C)-3'), TYPE II RESTRICTION ENZYME ECORV | | Authors: | Horton, N.C, Perona, J.J. | | Deposit date: | 2000-03-23 | | Release date: | 2000-04-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystallographic snapshots along a protein-induced DNA-bending pathway.
Proc.Natl.Acad.Sci.USA, 97, 2000
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7L0C
 | | Ligand-free PTP1B T177G | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Shen, R.D, Hengge, A.C, Johnson, S.J. | | Deposit date: | 2020-12-11 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases.
Jacs Au, 1, 2021
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5L91
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5LAN
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8PYQ
 | | 10 micrometer HEWL crystals solved at room-temperature using fixed-target serial crystallography. | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Mason, T.J, Carrillo, M, Beale, J.H, Padeste, C. | | Deposit date: | 2023-07-25 | | Release date: | 2023-08-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Micro-structured polymer fixed targets for serial crystallography at synchrotrons and XFELs.
Iucrj, 10, 2023
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6TRG
 | | Salmonella typhimurium neuraminidase mutant (D100S) | | Descriptor: | GLYCEROL, PHOSPHATE ION, Sialidase | | Authors: | Garman, E.F, Salinger, M.T, Murray, J.W, Laver, W.G, Kuhn, P, Vimr, E.R. | | Deposit date: | 2019-12-18 | | Release date: | 2020-01-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Salmonella typhimurium neuraminidase mutant (D100S)
To Be Published
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6KPN
 | | Crystal Structure of endo-beta-N-acetylglucosaminidase from Cordyceps militaris D154N/E156Q mutant in complex with fucosyl-N-acetylglucosamine | | Descriptor: | Chitinase, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Seki, H, Arakawa, T, Yamada, C, Takegawa, K, Fushinobu, S. | | Deposit date: | 2019-08-15 | | Release date: | 2019-10-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for the specific cleavage of core-fucosylatedN-glycans by endo-beta-N-acetylglucosaminidase from the fungusCordyceps militaris.
J.Biol.Chem., 294, 2019
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7L0H
 | | Vanadate-bound PTP1B T177G | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | | Authors: | Shen, R.D, Hengge, A.C, Johnson, S.J. | | Deposit date: | 2020-12-11 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases.
Jacs Au, 1, 2021
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1EOP
 | | ECORV BOUND TO COGNATE DNA | | Descriptor: | DNA (5'-D(*GP*AP*AP*GP*AP*TP*AP*TP*CP*TP*TP*C)-3'), TYPE II RESTRICTION ENZYME ECORV | | Authors: | Horton, N.C, Perona, J.J. | | Deposit date: | 2000-03-23 | | Release date: | 2000-04-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystallographic snapshots along a protein-induced DNA-bending pathway.
Proc.Natl.Acad.Sci.USA, 97, 2000
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7ZLT
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6KRN
 | | Crystal structure of GH30 xylanase B from Talaromyces cellulolyticus expressed by Pichia pastoris in complex with aldotriuronic acid | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, Mating factor alpha,GH30 Xylanase B, ... | | Authors: | Nakamichi, Y, Watanabe, M, Inoue, H. | | Deposit date: | 2019-08-22 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.653 Å) | | Cite: | Substrate recognition by a bifunctional GH30-7 xylanase B from Talaromyces cellulolyticus.
Febs Open Bio, 10, 2020
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7L0K
 | | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM784 (3-(1-(3-methyl-4-((6-(trifluoromethyl)pyridin-3-yl)methyl)-1H-pyrrole-2-carboxamido)ethyl)-1H-pyrazole-5-carboxamide) | | Descriptor: | 3-{(1R)-1-[(3-methyl-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1H-pyrrole-2-carbonyl)amino]ethyl}-1H-pyrazole-5-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Deng, X, Phillips, M, Tomchick, D. | | Deposit date: | 2020-12-11 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
J.Med.Chem., 64, 2021
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8PYO
 | | 5 micrometer HEWL crystals solved at room-temperature using fixed-target serial crystallography. | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Mason, T.J, Carrillo, M, Beale, J.H, Padeste, C. | | Deposit date: | 2023-07-25 | | Release date: | 2023-08-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Micro-structured polymer fixed targets for serial crystallography at synchrotrons and XFELs.
Iucrj, 10, 2023
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6AN3
 | | Crystal structure of H172A-peptidylglycine alpha-hydroxylating monooxygenase (PHM) mutant soaked with peptide (no CuH bound, no peptide bound) | | Descriptor: | COPPER (II) ION, DI(HYDROXYETHYL)ETHER, Peptidyl-glycine alpha-amidating monooxygenase | | Authors: | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | | Deposit date: | 2017-08-11 | | Release date: | 2018-07-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase.
Commun Biol, 1, 2018
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7KYK
 | | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM589 (ethyl 3-methyl-4-((4-(trifluoromethyl)benzo[d]oxazol-7-yl)methyl)-1H-pyrrole-2-carboxylate) | | Descriptor: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Deng, X, Phillips, M, Tomchick, D. | | Deposit date: | 2020-12-08 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
J.Med.Chem., 64, 2021
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5L92
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8PYP
 | | 25 micrometer HEWL crystals solved at room-temperature using fixed-target serial crystallography. | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Mason, T.J, Carrillo, M, Beale, J.H, Padeste, C. | | Deposit date: | 2023-07-25 | | Release date: | 2023-08-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Micro-structured polymer fixed targets for serial crystallography at synchrotrons and XFELs.
Iucrj, 10, 2023
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7ZWA
 | | CryoEM structure of Ku heterodimer bound to DNA and PAXX | | Descriptor: | DNA (5'-D(P*CP*GP*AP*TP*AP*TP*CP*TP*AP*GP*AP*GP*GP*GP*AP*TP*C)-3'), DNA (5'-D(P*GP*AP*TP*CP*CP*CP*TP*CP*TP*AP*GP*AP*TP*AP*T)-3'), PHOSPHATE ION, ... | | Authors: | Hardwick, S.W, Kefala-Stavridi, A, Chirgadze, D.Y, Blundell, T.L, Chaplin, A.K. | | Deposit date: | 2022-05-19 | | Release date: | 2023-05-31 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
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6KST
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6KUZ
 | | E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSL01 | | Descriptor: | 3-(1,3-benzothiazol-2-yl)-2-[[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-5-methyl-benzaldehyde, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | | Authors: | Chen, X, Hu, Y.L, Li, X.K, Guo, Y, Li, J. | | Deposit date: | 2019-09-03 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | First-generation species-selective chemical probes for fluorescence imaging of human senescence-associated beta-galactosidase.
Chem Sci, 11, 2020
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