5MER
 
 | | Human Leukocyte Antigen A02 presenting ILAKFLHEL | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, ... | | Authors: | Rizkallah, P.J, Lloyd, A, Crowther, M, Cole, D.K, Sewell, A.K. | | Deposit date: | 2016-11-16 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
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6TP2
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6TPD
 | | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | | Descriptor: | 3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one, Tyrosine-protein kinase JAK2 | | Authors: | Hansen, B.B, Jepsen, T.J, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Moelck, C, Rai, S, Nasipireddy, V.R, Ritzen, A. | | Deposit date: | 2019-12-13 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
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5MW0
 | | Complex between the Leucine Zipper (LZ) and Centrosomin-motif 2 (CM2) domains of Drosophila melanogaster Centrosomin (Cnn) - L535E mutant form | | Descriptor: | Centrosomin, ZINC ION | | Authors: | Feng, Z, Johnson, S, Raff, J.W, Lea, S.M. | | Deposit date: | 2017-01-17 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for Mitotic Centrosome Assembly in Flies.
Cell, 169, 2017
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6T4G
 | | ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand FM26 | | Descriptor: | 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid, CHOLESTEROL, GLYCEROL, ... | | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | | Deposit date: | 2019-10-14 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6T4Y
 | | ROR(gamma)t ligand binding domain in complex with 25-hydroxycholesterol and allosteric ligand MRL871 | | Descriptor: | 25-HYDROXYCHOLESTEROL, 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, GLYCEROL, ... | | Authors: | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | | Deposit date: | 2019-10-15 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5MWG
 | | Crystal structure of the human BRPF1 bromodomain in complex with BZ091 | | Descriptor: | NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2017-01-18 | | Release date: | 2018-02-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
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6TA0
 | | Human NAMPT in complex with nicotinic acid and phosphoribosyl pyrophosphate | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, GLYCEROL, NICOTINIC ACID, ... | | Authors: | Houry, D, Raasakka, A, Kursula, P, Ziegler, M. | | Deposit date: | 2019-10-29 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Identification of structural determinants of NAMPT activity and substrate selectivity
To Be Published
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5MFR
 | | The crystal structure of E. coli Aminopeptidase N in complex with 7-amino-5,7,8,9-tetrahydrobenzocyclohepten-6-one | | Descriptor: | Aminopeptidase N, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Peng, G, Olieric, V, McEwen, A.G, Schmitt, C, Albrecht, S, Cavarelli, J, Tarnus, C. | | Deposit date: | 2016-11-18 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Insight into the remarkable affinity and selectivity of the aminobenzosuberone scaffold for the M1 aminopeptidases family based on structure analysis.
Proteins, 85, 2017
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6TAB
 | | Bd0314 DslA wild-type form 2 | | Descriptor: | SLT domain-containing protein, SULFATE ION | | Authors: | Lovering, A.L, Harding, C.J. | | Deposit date: | 2019-10-29 | | Release date: | 2020-07-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | A lysozyme with altered substrate specificity facilitates prey cell exit by the periplasmic predator Bdellovibrio bacteriovorus.
Nat Commun, 11, 2020
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6TAI
 | | Crystal structure of Escherichia coli Orotate Phosphoribosyltransferase with an empty active site at 1.55 Angstrom resolution | | Descriptor: | ACETATE ION, GLYCEROL, Orotate phosphoribosyltransferase | | Authors: | Navas-Yuste, S, Lopez-Estepa, M, Gomez, S, Fernandez, F.J, Vega, M.C. | | Deposit date: | 2019-10-29 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.551 Å) | | Cite: | Elucidating the Catalytic Reaction Mechanism of Orotate Phosphoribosyltransferase by Means of X-ray Crystallography and Computational Simulations
Acs Catalysis, 10, 2020
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5MGE
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6TAO
 | | The cytotoxin MakE from Vibrio cholerae | | Descriptor: | NICKEL (II) ION, Non-hemolytic enterotoxin lytic component L1, SULFATE ION | | Authors: | Persson, K, Nagampalli, R, Heidler, T, Wai, S.N. | | Deposit date: | 2019-10-30 | | Release date: | 2020-11-18 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | A tripartite cytolytic toxin formed by Vibrio cholerae proteins with flagellum-facilitated secretion.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6TBD
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6TBI
 | | Structure of a beta galactosidase with inhibitor | | Descriptor: | (1S,2S,3S,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol, ACETATE ION, Beta-galactosidase, ... | | Authors: | Offen, W, Davies, G. | | Deposit date: | 2019-11-01 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine.
Molecules, 25, 2020
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6TC1
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6TCB
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6TCH
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5MI4
 | | BtGH84 mutant with covalent modification by MA3 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, O-GlcNAcase BT_4395, ... | | Authors: | Darby, J.F, Davies, G.J, Hubbard, R.E. | | Deposit date: | 2016-11-27 | | Release date: | 2017-11-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
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6TCP
 | | Crystal structure of the omalizumab Fab Leu158Pro light chain mutant - crystal form II | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Omalizumab Fab Leu158Pro light chain mutant, ... | | Authors: | Mitropoulou, A.N, Ceska, T, Beavil, A.J, Henry, A.J, McDonnell, J.M, Sutton, B.J, Davies, A.M. | | Deposit date: | 2019-11-06 | | Release date: | 2020-03-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Engineering the Fab fragment of the anti-IgE omalizumab to prevent Fab crystallization and permit IgE-Fc complex crystallization.
Acta Crystallogr.,Sect.F, 76, 2020
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5MCI
 | | Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 11.9 MGy | | Descriptor: | Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION | | Authors: | Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F. | | Deposit date: | 2016-11-09 | | Release date: | 2017-01-11 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | OH cleavage from tyrosine: debunking a myth.
J Synchrotron Radiat, 24, 2017
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6TD3
 | | Structure of DDB1 bound to CR8-engaged CDK12-cyclinK | | Descriptor: | (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | | Authors: | Bunker, R.D, Petzold, G, Kozicka, Z, Thoma, N.H. | | Deposit date: | 2019-11-07 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.46 Å) | | Cite: | The CDK inhibitor CR8 acts as a molecular glue degrader that depletes cyclin K.
Nature, 585, 2020
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5MK7
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6T44
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5MLA
 | | Crystal structure of human RAS in complex with darpin K55 | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Overman, R, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R. | | Deposit date: | 2016-12-06 | | Release date: | 2017-12-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Inhibition of RAS nucleotide exchange by a DARPin: structural characterisation and effects on downstream signalling by active RAS
To Be Published
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