6GF0
 
 | | Lysozyme structure determined from SFX data using a Sheet-on-Sheet chipless chip | | Descriptor: | Lysozyme C | | Authors: | Doak, R.B, Gorel, A, Foucar, L, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrel, D, Owen, R, Barends, T.R.M, Schlichting, I. | | Deposit date: | 2018-04-27 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystallography on a chip - without the chip: sheet-on-sheet sandwich.
Acta Crystallogr D Struct Biol, 74, 2018
|
|
4UAB
 | | Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound ethanolamine | | Descriptor: | CHLORIDE ION, ETHANOLAMINE, Twin-arginine translocation pathway signal | | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-08-08 | | Release date: | 2014-09-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
|
|
8JXD
 | | Cryo-EM structure of rat megalin leg | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Goto, S, Tsutsumi, A, Lee, Y, Hosojima, M, Kabasawa, H, Komochi, K, Yun-san, L, Nagatoshi, S, Tsumoto, K, Nishizawa, T, Kikkawa, M, Saito, A. | | Deposit date: | 2023-06-30 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures elucidate the multiligand receptor nature of megalin.
Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
6GP2
 | | Ribonucleotide Reductase class Ie R2 from Mesoplasma florum, DOPA-active form | | Descriptor: | CALCIUM ION, Ribonucleoside-diphosphate reductase beta chain | | Authors: | Srinivas, V, Lebrette, H, Lundin, D, Kutin, Y, Sahlin, M, Lerche, M, Enrich, J, Branca, R.M.M, Cox, N, Sjoberg, B.M, Hogbom, M. | | Deposit date: | 2018-06-05 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Metal-free ribonucleotide reduction powered by a DOPA radical in Mycoplasma pathogens.
Nature, 563, 2018
|
|
5N2C
 | | Crystal structure of the peptidoglycan-associated lipoprotein from Burkholderia cenocepacia | | Descriptor: | 1,2-ETHANEDIOL, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ACETATE ION, ... | | Authors: | Matterazzo, E, Bolognesi, M, Gourlay, L.J. | | Deposit date: | 2017-02-07 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Designing Probes for Immunodiagnostics: Structural Insights into an Epitope Targeting Burkholderia Infections.
ACS Infect Dis, 3, 2017
|
|
2VKQ
 | | Crystal structure of human cytosolic 5'-nucleotidase III (cN-III, NT5C3) in complex with beryllium trifluoride | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, CYTOSOLIC 5'-NUCLEOTIDASE III, MAGNESIUM ION | | Authors: | Wallden, K, Moche, M, Arrowsmith, C.H, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-12-21 | | Release date: | 2008-01-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of Human Cytosolic 5'- Nucleotidase III
To be Published
|
|
8JX8
 | | rat megalin head | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Goto, S, Tsutsumi, A, Lee, Y, Hosojima, M, Kabasawa, H, Komochi, K, Yun-san, L, Nagatoshi, S, Tsumoto, K, Nishizawa, T, Kikkawa, M, Saito, A. | | Deposit date: | 2023-06-30 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures elucidate the multiligand receptor nature of megalin.
Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
5DOR
 | | P2 Integrase catalytic domain in space group P21 | | Descriptor: | Integrase, PHOSPHATE ION, ZINC ION | | Authors: | Skaar, K, Claesson, M, Odegrip, R, Haggard-Ljungquist, E, Hogbom, M. | | Deposit date: | 2015-09-11 | | Release date: | 2015-12-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the bacteriophage P2 integrase catalytic domain.
Febs Lett., 589, 2015
|
|
6GQJ
 | | Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 18) | | Descriptor: | 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide, Mast/stem cell growth factor receptor Kit | | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | | Deposit date: | 2018-06-07 | | Release date: | 2018-09-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
|
|
8JXC
 | | rat megalin wingB | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Goto, S, Tsutsumi, A, Lee, Y, Hosojima, M, Kabasawa, H, Komochi, K, Yun-san, L, Nagatoshi, S, Tsumoto, K, Nishizawa, T, Kikkawa, M, Saito, A. | | Deposit date: | 2023-06-30 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM structures elucidate the multiligand receptor nature of megalin.
Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8JUU
 | | rat megalin | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Goto, S, Tsutsumi, A, Lee, Y, Hosojima, M, Kabasawa, H, Komochi, K, Yun-san, L, Nagatoshi, S, Tsumoto, K, Nishizawa, T, Kikkawa, M, Saito, A. | | Deposit date: | 2023-06-27 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structures elucidate the multiligand receptor nature of megalin.
Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
5N78
 | | Crystal structure of the cytosolic domain of the CorA Mg2+ channel from Escherichia coli in complex with magnesium and cobalt hexammine | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, COBALT HEXAMMINE(III), MAGNESIUM ION, ... | | Authors: | Lerche, M, Sandhu, H, Flockner, L, Hogbom, M, Rapp, M. | | Deposit date: | 2017-02-20 | | Release date: | 2017-07-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structure and Cooperativity of the Cytosolic Domain of the CorA Mg(2+) Channel from Escherichia coli.
Structure, 25, 2017
|
|
4FMP
 | | Crystal structure of thermostable, organic-solvent tolerant lipase from Geobacillus sp. strain ARM | | Descriptor: | CALCIUM ION, Lipase, ZINC ION | | Authors: | Nisbar, N.D, Rahman, R.N.Z.R.A, Ali, M.S.M, Leow, A.T.C. | | Deposit date: | 2012-06-18 | | Release date: | 2013-07-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystallization of novel ARM lipase and elucidation of its space-grown crystal structure
Thesis, 2013
|
|
6BPI
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates | | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, MLY-SER-THR-E2G, ... | | Authors: | MADER, P, Mendoza-Sanchez, R, DONG, A, DOBROVETSKY, E, IQBAL, A, CORLESS, V, TEMPEL, W, LIEW, S.K, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D.B, SCHAPIRA, M, VEDADI, M, BROWN, P.J, Santhakumar, V, FRYE, S, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-11-23 | | Release date: | 2017-12-27 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates
to be published
|
|
5SAK
 | | Endothiapepsin in complex with compound FU5-1 | | Descriptor: | (1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | | Deposit date: | 2021-05-28 | | Release date: | 2021-09-01 | | Last modified: | 2021-09-29 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
6GL3
 | | Crystal structure of human Phosphatidylinositol 4-kinase III beta (PI4KIIIbeta) in complex with ligand 44 | | Descriptor: | (3~{S})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{N}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta | | Authors: | Lammens, A, Augustin, M, Steinbacher, S, Reuberson, J. | | Deposit date: | 2018-05-22 | | Release date: | 2018-08-15 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Discovery of a Potent, Orally Bioavailable PI4KIII beta Inhibitor (UCB9608) Able To Significantly Prolong Allogeneic Organ Engraftment in Vivo.
J. Med. Chem., 61, 2018
|
|
5SAQ
 | | Endothiapepsin in complex with compound FU58-3 | | Descriptor: | 2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol, Endothiapepsin, GLYCEROL | | Authors: | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | | Deposit date: | 2021-05-28 | | Release date: | 2021-09-01 | | Last modified: | 2021-09-29 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
5SAR
 | | Endothiapepsin in complex with compound FU290-1 | | Descriptor: | (1,4-phenylene)bis(methylene) dicarbamimidothioate, Endothiapepsin | | Authors: | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | | Deposit date: | 2021-05-28 | | Release date: | 2021-09-01 | | Last modified: | 2021-09-29 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
5LRX
 | | Structure of A20 OTU domain bound to ubiquitin | | Descriptor: | Polyubiquitin-B, Tumor necrosis factor alpha-induced protein 3 | | Authors: | Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D. | | Deposit date: | 2016-08-22 | | Release date: | 2016-10-19 | | Last modified: | 2017-09-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne.
Nature, 538, 2016
|
|
5SAO
 | | Endothiapepsin in complex with compound FU58-1 | | Descriptor: | 1,2-ETHANEDIOL, 6-[(8R)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]pyrimidin-4-amine, Endothiapepsin, ... | | Authors: | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | | Deposit date: | 2021-05-28 | | Release date: | 2021-09-01 | | Last modified: | 2021-09-29 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
5SAL
 | | Endothiapepsin in complex with compound FU5-2 | | Descriptor: | (1Z)-1-imino-1H-isoindol-3-amine, DIMETHYL SULFOXIDE, Endothiapepsin | | Authors: | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | | Deposit date: | 2021-05-28 | | Release date: | 2021-09-01 | | Last modified: | 2021-09-29 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
5SAT
 | | Endothiapepsin in complex with compound FU66-1 | | Descriptor: | Endothiapepsin, GLYCEROL, N-cyclopropyl-6-(furan-2-yl)-2-hydroxy-N-[(pyridin-2-yl)methyl]pyridine-3-carboxamide | | Authors: | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | | Deposit date: | 2021-05-28 | | Release date: | 2021-09-01 | | Last modified: | 2021-09-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
5SAN
 | | Endothiapepsin in complex with compound FU5-4 | | Descriptor: | (2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide, Endothiapepsin, GLYCEROL | | Authors: | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | | Deposit date: | 2021-05-28 | | Release date: | 2021-09-01 | | Last modified: | 2021-09-29 | | Method: | X-RAY DIFFRACTION (0.94 Å) | | Cite: | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
5SAM
 | | Endothiapepsin in complex with compound FU5-3 | | Descriptor: | 3-amino-1H-isoindol-1-one, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | | Deposit date: | 2021-05-28 | | Release date: | 2021-09-01 | | Last modified: | 2021-09-29 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
5SAS
 | | Endothiapepsin in complex with compound FU290-2 | | Descriptor: | (1R)-1-(4-chlorophenyl)ethyl carbamimidothioate, BROMIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | | Deposit date: | 2021-05-28 | | Release date: | 2021-09-01 | | Last modified: | 2021-09-29 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
