2FWW
| |
2FS3
| Bacteriophage HK97 K169Y Head I | Descriptor: | Major capsid protein | Authors: | Gan, L, Speir, J.A, Conway, J.F, Lander, G, Cheng, N, Firek, B.A, Hendrix, R.W, Duda, R.L, Liljas, L, Johnson, J.E. | Deposit date: | 2006-01-20 | Release date: | 2006-02-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Capsid Conformational Sampling in HK97 Maturation Visualized by X-Ray Crystallography and Cryo-EM. Structure, 14, 2006
|
|
2FXR
| human beta tryptase II complexed with activated ketone inhibitor CRA-29382 | Descriptor: | ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE, Tryptase beta-2 | Authors: | Katz, B.A. | Deposit date: | 2006-02-06 | Release date: | 2006-02-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-guided design of Peptide-based tryptase inhibitors. Biochemistry, 45, 2006
|
|
7QQY
| yeast Gid10 bound to Art2 Pro/N-degron | Descriptor: | CHLORIDE ION, ECM21, Uncharacterized protein YGR066C | Authors: | Chrustowicz, J, Sherpa, D, Schulman, B.A. | Deposit date: | 2022-01-10 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | A GID E3 ligase assembly ubiquitinates an Rsp5 E3 adaptor and regulates plasma membrane transporters. Embo Rep., 23, 2022
|
|
7QLB
| SMYD3 in complex with fragment FL06268 | Descriptor: | 1-methylimidazole-4-sulfonamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | Deposit date: | 2021-12-20 | Release date: | 2023-03-29 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
|
|
7QNR
| SMYD3 in complex with fragment FL01791 | Descriptor: | 3-propan-2-yl-1,2,4-thiadiazol-5-amine, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | Deposit date: | 2021-12-22 | Release date: | 2023-04-05 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
|
|
7QNU
| SMYD3 in complex with fragment FL08619 | Descriptor: | BENZOYL-FORMIC ACID, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | Deposit date: | 2021-12-22 | Release date: | 2023-04-05 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
|
|
7R25
| Bacillus pumilus Lipase A | Descriptor: | CITRIC ACID, Lipase, PHOSPHATE ION, ... | Authors: | Lund, B.A. | Deposit date: | 2022-02-04 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.87 Å) | Cite: | Structure and Mechanism of a Cold-Adapted Bacterial Lipase Biochemistry, 61, 2022
|
|
7R4B
| The Bacillus pumilus chorismate mutase | Descriptor: | 1,2-ETHANEDIOL, Chorismate mutase AroH | Authors: | Lund, B.A. | Deposit date: | 2022-02-08 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The Bacillus pumilus chorismate mutase To Be Published
|
|
7R1K
| Phosphorylated Bacillus pumilus Lipase A | Descriptor: | DIETHYL PHOSPHONATE, Lipase, OXALOACETATE ION | Authors: | Lund, B.A. | Deposit date: | 2022-02-03 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure and Mechanism of a Cold-Adapted Bacterial Lipase Biochemistry, 61, 2022
|
|
3URE
| |
3URC
| T181G mutant of alpha-Lytic Protease | Descriptor: | Alpha-lytic protease, GLYCEROL, SULFATE ION | Authors: | Kelch, B.A, Agard, D.A. | Deposit date: | 2011-11-22 | Release date: | 2012-05-23 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Functional modulation of a protein folding landscape via side-chain distortion. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4AON
| |
4AE7
| Crystal structure of human THEM5 | Descriptor: | THIOESTERASE SUPERFAMILY MEMBER 5 | Authors: | Zhuravleva, E, Gut, H, Hynx, D, Marcellin, D, Bleck, C.K.E, Genoud, C, Cron, P, Keusch, J.J, Dummler, B, Degli Esposti, M, Hemmings, B.A. | Deposit date: | 2012-01-09 | Release date: | 2012-07-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Acyl Coenzyme a Thioesterase Them5/Acot15 is Involved in Cardiolipin Remodeling and Fatty Liver Development. Mol.Cell.Biol., 32, 2012
|
|
3URD
| T181A mutant of alpha-Lytic Protease | Descriptor: | Alpha-lytic protease, GLYCEROL, SULFATE ION | Authors: | Kelch, B.A, Agard, D.A. | Deposit date: | 2011-11-22 | Release date: | 2012-05-23 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Functional modulation of a protein folding landscape via side-chain distortion. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4AE8
| Crystal structure of human THEM4 | Descriptor: | THIOESTERASE SUPERFAMILY MEMBER 4 | Authors: | Zhuravleva, E, Gut, H, Hynx, D, Marcellin, D, Bleck, C.K.E, Genoud, C, Cron, P, Keusch, J.J, Dummler, B, Degli Esposti, M, Hemmings, B.A. | Deposit date: | 2012-01-09 | Release date: | 2012-07-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.594 Å) | Cite: | Acyl Coenzyme a Thioesterase Them5/Acot15 is Involved in Cardiolipin Remodeling and Fatty Liver Development. Mol.Cell.Biol., 32, 2012
|
|
4ACP
| Deactivation of human IgG1 Fc by endoglycosidase treatment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IG GAMMA-1 CHAIN C REGION | Authors: | Raman, K, Bowden, T.A, Krishna, B.A, Dwek, R.A, Crispin, M, Scanlan, C.N. | Deposit date: | 2011-12-16 | Release date: | 2012-04-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Selective Deactivation of Serum Igg: A General Strategy for the Enhancement of Monoclonal Antibody Receptor Interactions. J.Mol.Biol., 420, 2012
|
|
4AQC
| Triazolopyridine-based Inhibitor of Janus Kinase 2 | Descriptor: | 8-(4-methylsulfonylphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine, SULFATE ION, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Dugan, B.J, Gingrich, D.E, Mesaros, E.F, Milkiewicz, K.L, Curry, M.A, Zulli, A.L, Dobrzanski, P, Serdikoff, C, Jan, M, Angeles, T.S, Albom, M.S, Mason, J.L, Aimone, L.D, Meyer, S.L, Huang, Z, Wells-Knecht, K.J, Ator, M.A, Ruggeri, B.A, Dorsey, B.D. | Deposit date: | 2012-04-16 | Release date: | 2012-04-25 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Selective, Orally Bioavailable 1,2,4-Triazolo[1,5-A]Pyridine-Based Inhibitor of Janus Kinase 2 for Use in Anticancer Therapy: Discovery of Cep-33779. J.Med.Chem., 55, 2012
|
|
4AOK
| |
5N16
| First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 1) | Descriptor: | 5-cyclopropyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)benzo[b][1,4]benzothiazepin-6-one, Bromodomain-containing factor 1, GLYCEROL, ... | Authors: | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | Deposit date: | 2017-02-05 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Selective BET bromodomain inhibition as an antifungal therapeutic strategy. Nat Commun, 8, 2017
|
|
5N13
| Second Bromodomain (BD2) from Candida albicans Bdf1 in the unbound form | Descriptor: | Bromodomain-containing factor 1, GLYCEROL | Authors: | Mietton, F, Ferri, E, Champlebouxm, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | Deposit date: | 2017-02-04 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Selective BET bromodomain inhibition as an antifungal therapeutic strategy. Nat Commun, 8, 2017
|
|
5N17
| First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 3) | Descriptor: | (2~{S})-~{N}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide, Bromodomain-containing factor 1, SULFATE ION | Authors: | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvon, M, d'Enfer, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | Deposit date: | 2017-02-05 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Selective BET bromodomain inhibition as an antifungal therapeutic strategy. Nat Commun, 8, 2017
|
|
5N18
| Second Bromodomain (BD2) from Candida albicans Bdf1 bound to an imidazopyridine (compound 2) | Descriptor: | 4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol, Bromodomain-containing factor 1, GLYCEROL | Authors: | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | Deposit date: | 2017-02-05 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Selective BET bromodomain inhibition as an antifungal therapeutic strategy. Nat Commun, 8, 2017
|
|
5OE2
| CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-245 | Descriptor: | Beta-lactamase, CHLORIDE ION, SODIUM ION | Authors: | Lund, B.A, Leiros, H.K.S. | Deposit date: | 2017-07-07 | Release date: | 2017-08-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis. Acta Crystallogr F Struct Biol Commun, 73, 2017
|
|
5N15
| First Bromodomain (BD1) from Candida albicans Bdf1 in the unbound form | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain-containing factor 1, GLYCEROL, ... | Authors: | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | Deposit date: | 2017-02-05 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Selective BET bromodomain inhibition as an antifungal therapeutic strategy. Nat Commun, 8, 2017
|
|