6QFH
| Crystal Structure of Human Kallikrein 6 (N217D/I218Y/K224R) in complex with GSK144. | Descriptor: | 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, Kallikrein-6 | Authors: | Thorpe, J.H. | Deposit date: | 2019-01-10 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome. Acta Crystallogr.,Sect.F, 75, 2019
|
|
7R4O
| Structure of human hydroxyacid oxidase 1 bound with 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one | Descriptor: | 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | Authors: | Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | Deposit date: | 2022-02-08 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide To Be Published
|
|
7R4P
| Structure of human hydroxyacid oxidase 1 bound with 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione | Descriptor: | 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | Authors: | Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | Deposit date: | 2022-02-09 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide To Be Published
|
|
6QFF
| Crystal Structure of Human Kallikrein 6 in complex with GSK144 | Descriptor: | 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, Kallikrein-6 | Authors: | Thorpe, J.H. | Deposit date: | 2019-01-10 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome. Acta Crystallogr.,Sect.F, 75, 2019
|
|
7R4U
| Apoform of FtrA/P19 from Rubrivivax gelatinosus | Descriptor: | FtrA-P19, GLYCEROL, SODIUM ION, ... | Authors: | Morera, S, Vigouroux, A, Plancqueel, S. | Deposit date: | 2022-02-09 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | New insights into the mechanism of iron transport through the bacterial Ftr system present in pathogens. Febs J., 289, 2022
|
|
6NT4
| Cryo-EM structure of a human-cockroach hybrid Nav channel bound to alpha-scorpion toxin AaH2. | Descriptor: | (7E,21R,24S)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9Z,12E)-octadeca-9,12-dienoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Clairfeuille, T, Rohou, A, Payandeh, J. | Deposit date: | 2019-01-28 | Release date: | 2019-02-20 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis of alpha-scorpion toxin action on Na v channels. Science, 363, 2019
|
|
7R3P
| |
7R4Z
| |
7R5E
| |
6QFI
| Structure of human Mcl-1 in complex with BIM BH3 peptide | Descriptor: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-10 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
|
|
7R4V
| |
7R3S
| FtrA/P19 of Rubrivivax gelatinosus in complex with Ni | Descriptor: | FtrA-P19 protein, GLYCEROL, NICKEL (II) ION, ... | Authors: | Morera, S, Vigouroux, A. | Deposit date: | 2022-02-07 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | New insights into the mechanism of iron transport through the bacterial Ftr system present in pathogens. Febs J., 289, 2022
|
|
7R5G
| |
6FE5
| X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor JHU 2249 | Descriptor: | (2~{S})-2-[[(2~{S})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Barinka, C, Novakova, Z, Motlova, L. | Deposit date: | 2017-12-29 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors. Bioorg.Med.Chem., 27, 2019
|
|
8C3O
| Crystal structure of autotaxin gamma and compound MEY-003 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ... | Authors: | Eymery, M.C, McCarthy, A.A. | Deposit date: | 2022-12-27 | Release date: | 2023-11-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids. Eur.J.Med.Chem., 263, 2023
|
|
6LKJ
| Two-component system protein mediate signal transduction | Descriptor: | 6-O-phosphono-beta-D-galactopyranose, ABC transporter, solute-binding protein | Authors: | Wang, M, Tao, Y. | Deposit date: | 2019-12-19 | Release date: | 2020-12-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | Interface switch mediates signal transmission in a two-component system. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
7RAD
| Crystal Structure Analysis of ALDH1B1 | Descriptor: | 1,2-ETHANEDIOL, 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine, Aldehyde dehydrogenase X, ... | Authors: | Fernandez, D, Chen, J.K. | Deposit date: | 2021-07-01 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Inhibitors targeted to aldehyde dehydrogenase Nat.Chem.Biol., 2022
|
|
6FK2
| |
6QKB
| Crystal structure of the beta-hydroxyaspartate aldolase of Paracoccus denitrificans | Descriptor: | D-3-hydroxyaspartate aldolase, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE | Authors: | Zarzycki, J, Schada von Borzyskowski, L, Gilardet, A, Erb, T.J. | Deposit date: | 2019-01-28 | Release date: | 2019-08-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Marine Proteobacteria metabolize glycolate via the beta-hydroxyaspartate cycle. Nature, 575, 2019
|
|
6QLA
| CRYSTAL STRUCTURE OF THE PMGL2 ESTERASE (point mutant 1) FROM PERMAFROST METAGENOMIC LIBRARY | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Boyko, K.M, Garsia, D, Nikolaeva, A.Y, Korzhenevskiy, D.A, Kryukova, M.V, Petrovskaya, L.E, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O. | Deposit date: | 2019-01-31 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Crystal structure of PMGL2 esterase from the hormone-sensitive lipase family with GCSAG motif around the catalytic serine. Plos One, 15, 2020
|
|
5EIY
| Bacterial cellulose synthase bound to a substrate analogue | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), DIUNDECYL PHOSPHATIDYL CHOLINE, LAURYL DIMETHYLAMINE-N-OXIDE, ... | Authors: | McNamara, J.T, Zimmer, J. | Deposit date: | 2015-10-30 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Observing cellulose biosynthesis and membrane translocation in crystallo. Nature, 531, 2016
|
|
6LQY
| Crystal complex of endo-deglycosylated hydroxynitrile lyase isozyme 5 of Prunus communis with benzaldehyde | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, PREDICTED: (R)-mandelonitrile lyase, ... | Authors: | Zheng, Y.C, Li, F.L, Yu, H.L, Xu, J.H. | Deposit date: | 2020-01-15 | Release date: | 2020-05-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.598 Å) | Cite: | Structure-Guided Tuning of a Hydroxynitrile Lyase to Accept Rigid Pharmaco Aldehydes. Acs Catalysis, 2020
|
|
3SI0
| Structure of glycosylated human glutaminyl cyclase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glutaminyl-peptide cyclotransferase, ... | Authors: | Parthier, C, Carrillo, D, Stubbs, M.T. | Deposit date: | 2011-06-17 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of Glycosylated Mammalian Glutaminyl Cyclases Reveal Conformational Variability near the Active Center. Biochemistry, 50, 2011
|
|
6G47
| Crystal Structure of Human Adenovirus 52 Short Fiber Knob in Complex with alpha-(2,8)-Trisialic Acid (DP3) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Liaci, A.M, Stehle, T. | Deposit date: | 2018-03-26 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | Polysialic acid is a cellular receptor for human adenovirus 52. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
5LIA
| Crystal structure of murine autotaxin in complex with a small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Turnbull, A.P, Shah, P, Cheasty, A, Raynham, T, Pang, L, Owen, P. | Deposit date: | 2016-07-14 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery of potent inhibitors of the lysophospholipase autotaxin. Bioorg. Med. Chem. Lett., 26, 2016
|
|