8R8A
 
 | |
8V04
 | | High resolution TMPRSS2 structure following acylation by nafamostat | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, ... | | Authors: | Fraser, B.J, Dong, A, Kutera, M, Seitova, A, Li, Y, Hutchinson, A, Edwards, A, Benard, F, Levon, H, Arrowsmith, C. | | Deposit date: | 2023-11-16 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | High resolution TMPRSS2 structure following acylation by nafamostat
To Be Published
|
|
6NLI
 | | 1.90 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 11) | | Descriptor: | 4-{[(2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | | Deposit date: | 2019-01-08 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
|
|
6Q0G
 | |
6Q0R
 | | Structure of DDB1-DDA1-DCAF15 complex bound to E7820 and RBM39 | | Descriptor: | 3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ... | | Authors: | Faust, T, Yoon, H, Nowak, R.P, Donovan, K.A, Li, Z, Cai, Q, Eleuteri, N.A, Zhang, T, Gray, N.S, Fischer, E.S. | | Deposit date: | 2019-08-02 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15.
Nat.Chem.Biol., 16, 2020
|
|
8RGS
 | | Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa | | Descriptor: | Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Thompson, A.J, Hough, M.A, Williams, L.J, Worrall, J.A.R, Sanchez-Weatherby, J, Mikolajek, H, Sandy, J. | | Deposit date: | 2023-12-14 | | Release date: | 2023-12-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Efficient in situ screening of and data collection from microcrystals in crystallization plates.
Acta Crystallogr D Struct Biol, 80, 2024
|
|
8U4F
 | |
6WAX
 | | C-terminal SH2 domain of p120RasGAP | | Descriptor: | 1,2-ETHANEDIOL, Ras GTPase-activating protein 1, SULFATE ION | | Authors: | Jaber Chehayeb, R, Wang, J, Stiegler, A.L, Boggon, T.J. | | Deposit date: | 2020-03-26 | | Release date: | 2020-06-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The GTPase-activating protein p120RasGAP has an evolutionarily conserved "FLVR-unique" SH2 domain.
J.Biol.Chem., 295, 2020
|
|
5NIA
 | |
6PUM
 | | Structure of human MAIT A-F7 TCR in complex with human MR1-2'D-5-OP-RU | | Descriptor: | 1,2-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Awad, W, Keller, A.N, Rossjohn, J. | | Deposit date: | 2019-07-18 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
|
|
8U4A
 | |
7U8M
 | |
7QCM
 | | Structure of SARS-CoV-2 Papain-like Protease bound to N-(3-methoxy-4-hydroxy-acetophenone)thiosemicarbazone | | Descriptor: | CHLORIDE ION, GLYCEROL, N-(3-metoxy-4-hydroxy-acetophenone)thiosemicarbazone, ... | | Authors: | Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A. | | Deposit date: | 2021-11-24 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease.
Front Chem, 10, 2022
|
|
8RGY
 | | Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa, 8 drops merged | | Descriptor: | Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Thompson, A.J, Hough, M.A, Williams, L.J, Worrall, J.A.R, Sanchez-Weatherby, J, Mikolajek, H, Sandy, J. | | Deposit date: | 2023-12-14 | | Release date: | 2023-12-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Efficient in situ screening of and data collection from microcrystals in crystallization plates.
Acta Crystallogr D Struct Biol, 80, 2024
|
|
8RGE
 | | Serial synchrotron in plate room temperature structure of Lysozyme. | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Thompson, A.J, Hough, M.A, Sanchez-Weatherby, J, Williams, L.J, Sandy, J, Worrall, J.A.R. | | Deposit date: | 2023-12-13 | | Release date: | 2023-12-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Efficient in situ screening of and data collection from microcrystals in crystallization plates.
Acta Crystallogr D Struct Biol, 80, 2024
|
|
5N37
 | | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium, DIMETHYL SULFOXIDE, ... | | Authors: | Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2017-02-08 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.589 Å) | | Cite: | A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
|
|
8R79
 | | The D2 domain of human DTX3L | | Descriptor: | E3 ubiquitin-protein ligase DTX3L, SULFATE ION | | Authors: | Vela-Rodriguez, C, Lehtio, L, Maksimainen, M, Duman, R, Wagner, A, Glumoff, T. | | Deposit date: | 2023-11-24 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Oligomerisation mediated by the D2 domain of DTX3L is critical for DTX3L-PARP9 reading function of mono-ADP-ribosylated androgen receptor.
Biorxiv, 2023
|
|
7B8E
 | | Torpedo californica acetylcholinesterase complexed with Ca+2 | | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L. | | Deposit date: | 2020-12-12 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif.
Protein Sci., 30, 2021
|
|
5N3M
 | |
5NJF
 | | E. coli Microcin-processing metalloprotease TldD/E (TldD H262A mutant) with pentapeptide bound | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ALA-ALA-ALA-ALA-ALA, ... | | Authors: | Ghilarov, D, Serebryakova, M, Stevenson, C.E.M, Hearnshaw, S.J, Volkov, D, Maxwell, A, Lawson, D.M, Severinov, K. | | Deposit date: | 2017-03-28 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | The Origins of Specificity in the Microcin-Processing Protease TldD/E.
Structure, 25, 2017
|
|
7QCK
 | | Structure of SARS-CoV-2 Papain-like Protease bound to N-(2,5-dihydroxybenzylidene)-thiosemicarbazone | | Descriptor: | CHLORIDE ION, GLYCEROL, N-(2,5-dihydroxybenzylidene)-thiosemicarbazone, ... | | Authors: | Ewert, W, Gunther, S, Reinke, P, Falke, S, Lieske, J, Miglioli, F, Carcelli, M, Srinivasan, V, Betzel, C, Han, H, Lorenzen, K, Guenther, C, Niebling, S, Garcia-Alai, M, Hinrichs, W, Rogolino, D, Meents, A. | | Deposit date: | 2021-11-24 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Hydrazones and Thiosemicarbazones Targeting Protein-Protein-Interactions of SARS-CoV-2 Papain-like Protease.
Front Chem, 10, 2022
|
|
7BRD
 | | Crystal structure of Peptidyl-tRNA hydrolase from Klebsiella pneumoniae | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ... | | Authors: | Mundra, S, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A. | | Deposit date: | 2020-03-27 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Structural and functional characterization of peptidyl-tRNA hydrolase from Klebsiella pneumoniae.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
|
|
8RGW
 | | Serial synchrotron in plate room temperature structure of Dye Type Peroxidase Aa, 12 drops merged | | Descriptor: | Deferrochelatase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Thompson, A.J, Hough, M.A, Williams, L.J, Worrall, J.A.R, Sanchez-Weatherby, J, Mikolajek, H, Sandy, J. | | Deposit date: | 2023-12-14 | | Release date: | 2023-12-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Efficient in situ screening of and data collection from microcrystals in crystallization plates.
Acta Crystallogr D Struct Biol, 80, 2024
|
|
7U5P
 | | CRYSTAL STRUCTURE OF THE ACTIVIN RECEPTOR TYPE-2A LIGAND BINDING DOMAIN IN COMPLEX WITH ACTIVIN-A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2A, Inhibin beta A chain | | Authors: | Chu, K.Y, Malik, A, Thamilselvan, V, Martinez-Hackert, E. | | Deposit date: | 2022-03-02 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | Type II BMP and activin receptors BMPR2 and ACVR2A share a conserved mode of growth factor recognition.
J.Biol.Chem., 298, 2022
|
|
8UO9
 | | Structure of synaptic vesicle protein 2A in complex with a nanobody | | Descriptor: | (4R)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(4,4,4-trifluorobutyl)pyrrolidin-2-one, 1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE], 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Mittal, A, Martin, M.F, Levin, E, Adams, C, Yang, M, Ledecq, M, Horanyi, P.S, Coleman, J.A. | | Deposit date: | 2023-10-19 | | Release date: | 2024-05-22 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structures of synaptic vesicle protein 2A and 2B bound to anticonvulsants.
Nat.Struct.Mol.Biol., 2024
|
|
