6I60
 
 | | Structure of alpha-L-rhamnosidase from Dictyoglumus thermophilum | | Descriptor: | 2-(2-ETHOXYETHOXY)ETHANOL, Alpha-rhamnosidase, TRIETHYLENE GLYCOL | | Authors: | Lafite, P, Daniellou, R. | | Deposit date: | 2018-11-15 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.743 Å) | | Cite: | Biochemical Characterization of the alpha-l-RhamnosidaseDtRha fromDictyoglomus thermophilum: Application to the Selective Derhamnosylation of Natural Flavonoids.
Acs Omega, 4, 2019
|
|
5LDJ
 | |
7H2O
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z234898257 | | Descriptor: | DIMETHYL SULFOXIDE, N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine, Serine protease NS3, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.707 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
|
|
6DM3
 | | Crystal structure of the SH2 domain from RavO (Lpg1129) from Legionella pneumophila, apoprotein | | Descriptor: | RavO | | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Kaneko, T, Li, S, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2018-06-04 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of the SH2 domain from RavO (Lpg1129) from Legionella pneumophila, apoprotein
To Be Published
|
|
2IEI
 | | Crystal structure of rabbit muscle glycogen phosphorylase in complex with 3,4-dihydro-2-quinolone | | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, (S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE, Glycogen phosphorylase, ... | | Authors: | Birch, A.M, Kenny, P.W, Oikonomakos, N.G, Otterbein, L, Schofield, P, Whittamore, P.R.O, Whalley, D.P, Rowsell, S, Pauptit, R, Pannifer, A, Breed, J, Minshull, C. | | Deposit date: | 2006-09-19 | | Release date: | 2006-12-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
|
|
5LII
 | | bacteriophage phi812K1-420 major capsid protein | | Descriptor: | Major capsid protein | | Authors: | Novacek, J, Siborova, M, Benesik, M, Pantucek, R, Doskar, J, Plevka, P. | | Deposit date: | 2016-07-14 | | Release date: | 2017-07-19 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure and genome release of Twort-like Myoviridae phage with a double-layered baseplate.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
|
|
8P0W
 | | Structure of the human Commander complex COMMD ring | | Descriptor: | COMM domain-containing protein 1, COMM domain-containing protein 10, COMM domain-containing protein 2, ... | | Authors: | Kumpula, E.P, Laulumaa, S, Huiskonen, J.T. | | Deposit date: | 2023-05-11 | | Release date: | 2024-03-20 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure and interactions of the endogenous human Commander complex.
Nat.Struct.Mol.Biol., 31, 2024
|
|
7H0X
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013255-001 | | Descriptor: | (4M)-1-methyl-4-(4-{[(1S)-2-methyl-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazole-5-carbonitrile, Papain-like protease nsp3 | | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-01-23 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
|
|
8P0X
 | | Structure of the human Commander complex Retriever Subcomplex | | Descriptor: | Coiled-coil domain-containing protein 22, Coiled-coil domain-containing protein 93, VPS35 endosomal protein-sorting factor-like, ... | | Authors: | Kumpula, E.P, Laulumaa, S, Huiskonen, J.T. | | Deposit date: | 2023-05-11 | | Release date: | 2024-03-20 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (7.5 Å) | | Cite: | Structure and interactions of the endogenous human Commander complex.
Nat.Struct.Mol.Biol., 31, 2024
|
|
6I6N
 | | Papaver somniferum O-methyltransferase 1 | | Descriptor: | (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, O-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Cabry, M.P, Offen, W.A, Winzer, T, Li, Y, Graham, I.A, Davies, G.J, Saleh, P. | | Deposit date: | 2018-11-15 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation
Acs Catalysis, 2019
|
|
6EFU
 | | Crystal structure of the double mutant L167W / P172L of the beta-glucosidase from Trichoderma harzianum | | Descriptor: | Beta-glucosidase, NITRATE ION | | Authors: | Morais, M.A.B, Santos, C.A, Tonoli, C.C.C, Souza, A.P, Murakami, M.T. | | Deposit date: | 2018-08-17 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | An engineered GH1 beta-glucosidase displays enhanced glucose tolerance and increased sugar release from lignocellulosic materials.
Sci Rep, 9, 2019
|
|
7H2L
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z19755216 | | Descriptor: | 2-(3-fluorophenoxy)-N,N-dimethylacetamide, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.366 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
|
|
7H2E
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1428159350 | | Descriptor: | (1S)-1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-amine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
|
|
7H03
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000452-001 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, N-[(2R)-1,1-difluoro-3-methylbutan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Papain-like protease nsp3 | | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-01-23 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
|
|
7H08
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0012346-001 | | Descriptor: | 4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Papain-like protease nsp3 | | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-01-23 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
|
|
7H1C
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0014597-001 | | Descriptor: | 7-[(1S)-1-{[(5R,8S)-10-acetyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione, Papain-like protease nsp3 | | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-01-23 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
|
|
5EOU
 | | Pseudomonas aeruginosa PilM:PilN1-12 bound to ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | McCallum, M, Tammam, S, Robinson, H, Shah, M, Calmettes, C, Moraes, T, Burrows, L, Howell, L.P. | | Deposit date: | 2015-11-10 | | Release date: | 2016-04-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | PilN Binding Modulates the Structure and Binding Partners of the Pseudomonas aeruginosa Type IVa Pilus Protein PilM.
J.Biol.Chem., 291, 2016
|
|
7H13
 | | Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0013385-001 | | Descriptor: | 7-[(1R)-1-{[(6M)-6-(3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione, Papain-like protease nsp3 | | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | | Deposit date: | 2024-01-23 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published
|
|
5EPD
 | | Crystal structure of Glycerol Trinitrate Reductase XdpB from Agrobacterium sp. R89-1 (Apo form) | | Descriptor: | Glycerol trinitrate reductase | | Authors: | Kolenko, P, Zahradnik, J, Zuskova, I, Cerny, J, Palyzova, A, Kyslikova, E, Schneider, B. | | Deposit date: | 2015-11-11 | | Release date: | 2016-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The crystal structure of XdpB, the bacterial old yellow enzyme, in an FMN-free form.
PLoS ONE, 13, 2018
|
|
5LM4
 | | Structure of the thermostalilized EAAT1 cryst-II mutant in complex with L-ASP and the allosteric inhibitor UCPH101 | | Descriptor: | 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, ASPARTIC ACID, Excitatory amino acid transporter 1,Neutral amino acid transporter B(0),Excitatory amino acid transporter 1, ... | | Authors: | Canul-Tec, J, Assal, R, Legrand, P, Reyes, N. | | Deposit date: | 2016-07-29 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure and allosteric inhibition of excitatory amino acid transporter 1.
Nature, 544, 2017
|
|
6RU1
 | | Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor inactive S270A variant in complex with the aldouronic acid Um4X | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, ... | | Authors: | Ernst, H.A, Mosbech, C, Langkilde, A, Westh, P, Meyer, A, Agger, J.W, Larsen, S. | | Deposit date: | 2019-05-27 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | The structural basis of fungal glucuronoyl esterase activity on natural substrates.
Nat Commun, 11, 2020
|
|
4L6C
 | | Crystal structure of human mitochondrial deoxyribonucleotidase in complex with the inhibitor pib-t | | Descriptor: | 1,2-ETHANEDIOL, 1-{2-deoxy-3,5-O-[(4-iodophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, 5'(3')-deoxyribonucleotidase, ... | | Authors: | Pachl, P, Brynda, J, Rezacova, P. | | Deposit date: | 2013-06-12 | | Release date: | 2014-09-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Conformationally constrained nucleoside phosphonic acids - potent inhibitors of human mitochondrial and cytosolic 5'(3')-nucleotidases.
Org.Biomol.Chem., 12, 2014
|
|
8F2U
 | | Human CCC complex | | Descriptor: | COMM domain-containing protein 1, COMM domain-containing protein 10, COMM domain-containing protein 2, ... | | Authors: | Healy, M.D, McNally, K.E, Butkovic, R, Chilton, M, Kato, K, Sacharz, J, McConville, C, Moody, E.R.R, Shaw, S, Planelles-Herrero, V.J, Kadapalakere, S.Y, Ross, J, Borucu, U, Palmer, C.S, Chen, K, Croll, T.I, Hall, R.J, Caruana, N.J, Ghai, R, Nguyen, T.H.D, Heesom, K.J, Saitoh, S, Berger, I, Berger-Schaffitzel, C, Williams, T.A, Stroud, D.A, Derivery, E, Collins, B.M, Cullen, P.J. | | Deposit date: | 2022-11-08 | | Release date: | 2023-05-24 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | Structure of the endosomal Commander complex linked to Ritscher-Schinzel syndrome.
Cell, 186, 2023
|
|
6I4B
 | | Plasmodium falciparum dihydroorotate dehydrogenase (DHODH) co-crystallized with 3-Hydroxy-1-methyl-5-((3-(trifluoromethyl)phenoxy)methyl)-1H-pyrazole-4-carboxylic acid | | Descriptor: | 1-methyl-3-oxidanyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-4-carboxylic acid, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Goyal, P, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S. | | Deposit date: | 2018-11-09 | | Release date: | 2018-12-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Hydroxyazole scaffold-based Plasmodium falciparum dihydroorotate dehydrogenase inhibitors: Synthesis, biological evaluation and X-ray structural studies.
Eur J Med Chem, 163, 2018
|
|
6RSD
 | |
