2XNB
 
 | | Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents | | Descriptor: | 3,4-DIMETHYL-5-(2-{[(1Z)-4-PIPERAZIN-1-YLCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}PYRIMIDIN-4-YL)-1,3-THIAZOL-2(3H)-ONE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Wang, S, Griffiths, G, Midgley, C.A, Barnett, A.L, Cooper, M, Grabarek, J, Ingram, L, Jackson, W, Kontopidis, G, McClue, S.J, McInnes, C, McLachlan, J, Meades, C, Mezna, M, Stuart, I, Thomas, M.P, Zheleva, D.I, Lane, D.P, Jackson, R.C, Glover, D.M, Blake, D.G, Fischer, P.M. | | Deposit date: | 2010-08-01 | | Release date: | 2010-11-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents
Chem.Biol., 17, 2010
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8S51
 | | RNA polymerase II core initially transcribing complex with an ordered RNA of 8 nt | | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit RPB11-a, DNA-directed RNA polymerase II subunit RPB3, ... | | Authors: | Zhan, Y, Grabbe, F, Oberbeckmann, E, Dienemann, C, Cramer, P. | | Deposit date: | 2024-02-22 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Three-step mechanism of promoter escape by RNA polymerase II.
Mol.Cell, 84, 2024
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2XNP
 | | Structure of Nek2 bound to CCT244858 | | Descriptor: | 1,2-ETHANEDIOL, 4-{5-[(1-METHYLPIPERIDIN-4-YL)OXY]-1H-BENZIMIDAZOL-1-YL}-2-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}BENZAMIDE, CHLORIDE ION, ... | | Authors: | Mas-Droux, C, Bayliss, R. | | Deposit date: | 2010-08-05 | | Release date: | 2011-03-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Benzimidazole Inhibitors Induce a Dfg-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship.
J.Med.Chem., 54, 2011
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2XYR
 | | Crystal structure of the nsp16 nsp10 SARS coronavirus complex | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, NON-STRUCTURAL PROTEIN 10, ... | | Authors: | Decroly, E, Debarnot, C, Ferron, F, Bouvet, M, Coutard, B, Imbert, I, Gluais, L, Papageorgiou, N, Ortiz-Lombardia, M, Lescar, J, Canard, B. | | Deposit date: | 2010-11-18 | | Release date: | 2011-10-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure and Functional Analysis of the Sars-Coronavirus RNA CAP 2'-O-Methyltransferase Nsp10/Nsp16 Complex.
Plos Pathog., 7, 2011
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8SEF
 | | Crystal structure of Cy137C02, a monoclonal antibody isolated from macaques immunized with an Epstein-Barr virus glycoprotein 350 (gp350) nanoparticle vaccine | | Descriptor: | Cy137C02 Fab heavy chain, Cy137C02 Fab light chain, GLYCEROL, ... | | Authors: | Joyce, M.G, Jensen, J.L, Chen, W.H, Kanekiyo, M. | | Deposit date: | 2023-04-09 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Crystal structure of Cy137C02, a monoclonal antibody isolated from macaques immunized with an Epstein-Barr virus glycoprotein 350 (gp350) nanoparticle vaccine
To Be Published
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2XOE
 | | Crystal structure of flavoprotein NrdI from Bacillus anthracis in the semiquinone form | | Descriptor: | ACETATE ION, CACODYLATE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Johansson, R, Sprenger, J, Torrents, E, Sahlin, M, Sjoberg, B.M, Logan, D.T. | | Deposit date: | 2010-08-14 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | High Resolution Crystal Structures of Nrdi in the Oxidised and Reduced States: An Unusual Flavodoxin
FEBS J., 277, 2010
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2XZ4
 | | Crystal structure of the LFZ ectodomain of the peptidoglycan recognition protein LF | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, COPPER (II) ION, ... | | Authors: | Basbous, N, Coste, F, Leone, P, Vincentelli, R, Royet, J, Kellenberger, C, Roussel, A. | | Deposit date: | 2010-11-23 | | Release date: | 2011-04-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | The Drosophila Peptidoglycan-Recognition Protein Lf Interacts with Peptidoglycan-Recognition Protein Lc to Downregulate the Imd Pathway.
Embo Rep., 12, 2011
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2XPC
 | | Second-generation sulfonamide inhibitors of MurD: Activity optimisation with conformationally rigid analogues of D-glutamic acid | | Descriptor: | (1R,3R,4S)-4-[({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)AMINO]CYCLOHEXANE-1,3-DICARBOXYLIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Sosic, I, Barreteau, H, Simcic, M, Sink, R, Cesar, J, Golic-Grdadolnik, S, Contreras-Martel, C, Dessen, A, Amoroso, A, Joris, B, Blanot, D, Gobec, S. | | Deposit date: | 2010-08-26 | | Release date: | 2011-05-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Second-Generation Sulfonamide Inhibitors of D- Glutamic Acid-Adding Enzyme: Activity Optimisation with Conformationally Rigid Analogues of D- Glutamic Acid.
Eur.J.Med.Chem, 46, 2011
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8SKE
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3UBX
 | | Crystal structure of the mouse CD1d-C20:2-aGalCer-L363 mAb Fab complex | | Descriptor: | (11Z,14Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yu, E.D, Zajonc, D.M. | | Deposit date: | 2011-10-25 | | Release date: | 2011-11-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis for the recognition of C20:2-alpha GalCer by the invariant natural killer T cell receptor-like antibody L363.
J.Biol.Chem., 287, 2012
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2Y1G
 | | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted FR900098 analogue and manganese. | | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, 3-(N-HYDROXYACETAMIDO)-1-(3,4-DICHLOROPHENYL)PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ... | | Authors: | Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A. | | Deposit date: | 2010-12-08 | | Release date: | 2011-06-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase
J.Med.Chem, 54, 2011
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2XRB
 | | Structure of the N-terminal four domains of the complement regulator Rat Crry | | Descriptor: | 1,2-ETHANEDIOL, COMPLEMENT REGULATORY PROTEIN CRRY, SULFATE ION | | Authors: | Leath, K.J, Roversi, P, Johnson, S, Morgan, B.P, Lea, S.M. | | Deposit date: | 2010-09-13 | | Release date: | 2011-06-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of the Rat Complement Regulator Crry.
Acta Crystallogr.,Sect.F, 67, 2011
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2XRM
 | | Processed Intracellular subtilisin from B. clausii | | Descriptor: | CALCIUM ION, INTRACELLULAR SUBTILISIN PROTEASE, PENTAETHYLENE GLYCOL, ... | | Authors: | Gamble, M, Kunze, G, Dodson, E.J, Jones, D.D, Wilson, K.S. | | Deposit date: | 2010-09-20 | | Release date: | 2011-03-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Regulation of an Intracellular Subtilisin Protease Activity by a Short Propeptide Sequence Through an Original Combined Dual Mechanism.
Proc.Natl.Acad.Sci.USA, 108, 2011
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2Y2H
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA2) | | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | | Deposit date: | 2010-12-15 | | Release date: | 2011-08-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
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3GMN
 | | Structure of mouse CD1d in complex with C10Ph | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2 microglobulin, ... | | Authors: | Schiefner, A, Wilson, I.A. | | Deposit date: | 2009-03-14 | | Release date: | 2009-11-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural evaluation of potent NKT cell agonists: implications for design of novel stimulatory ligands.
J.Mol.Biol., 394, 2009
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2XS0
 | | Linear binding motifs for JNK and for calcineurin antagonistically control the nuclear shuttling of NFAT4 | | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 8, NUCLEAR FACTOR OF ACTIVATED T-CELLS, CYTOPLASMIC 3, ... | | Authors: | Barkai, T, Toeoroe, I, Garai, A, Remenyi, A. | | Deposit date: | 2010-09-24 | | Release date: | 2011-09-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Specificity of Linear Motifs that Bind to a Common Mitogen-Activated Protein Kinase Docking Groove.
Sci. Signal, 5, 2012
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2XSR
 | | Crystal structure of wild type Acinetobacter radioresistens catechol 1,2 dioxygenase | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, CATECHOL 1,2 DIOXYGENASE, FE (III) ION | | Authors: | Micalella, C, Martignon, S, Bruno, S, Rizzi, M. | | Deposit date: | 2010-09-30 | | Release date: | 2010-12-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-Ray Crystallography, Mass Spectrometry and Single Crystal Microspectrophotometry: A Multidisciplinary Characterization of Catechol 1,2 Dioxygenase.
Biochim.Biophys.Acta, 1814, 2011
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2XC1
 | | Full-length Tailspike Protein Mutant Y108W of Bacteriophage P22 | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, BIFUNCTIONAL TAIL PROTEIN, CALCIUM ION, ... | | Authors: | Mueller, J.J, Seul, A, Seckler, R, Heinemann, U. | | Deposit date: | 2010-04-15 | | Release date: | 2011-05-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Bacteriophage P22 Tailspike: Structure of the Complete Protein and Function of the Interdomain Linker
Acta Crystallogr.,Sect.D, 70, 2014
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8RMO
 | | Crystal structure of anti-FLAG M2 Fab fragment bound to FLAG-tag peptide epitope | | Descriptor: | CHLORIDE ION, FLAG-tag, anti-FLAG M2 heavy chain, ... | | Authors: | Beugelink, J.W, Janssen, B.J.C, Pronker, M.F. | | Deposit date: | 2024-01-08 | | Release date: | 2024-04-03 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.163 Å) | | Cite: | Structural Basis for Recognition of the FLAG-tag by Anti-FLAG M2.
J.Mol.Biol., 436, 2024
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2XT4
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2XTV
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2XF0
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I. | | Deposit date: | 2010-05-19 | | Release date: | 2010-06-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases.
Bioorg.Med.Chem.Lett., 20, 2010
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2XV0
 | | Pseudomonas aeruginosa Azurin with mutated metal-binding loop sequence (CAAHAAM), chemically reduced, pH4.8 | | Descriptor: | AZURIN, COPPER (I) ION | | Authors: | Li, C, Sato, K, Monari, S, Salard, I, Sola, M, Banfield, M.J, Dennison, C. | | Deposit date: | 2010-10-22 | | Release date: | 2010-12-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Metal-Binding Loop Length is a Determinant of the Pka of a Histidine Ligand at a Type 1 Copper Site
Inorg.Chem., 50, 2011
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8S52
 | | RNA polymerase II core initially transcribing complex with an ordered RNA of 10 nt | | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit RPB11-a, DNA-directed RNA polymerase II subunit RPB3, ... | | Authors: | Zhan, Y, Grabbe, F, Oberbeckmann, E, Dienemann, C, Cramer, P. | | Deposit date: | 2024-02-22 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Three-step mechanism of promoter escape by RNA polymerase II.
Mol.Cell, 84, 2024
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2XFX
 | | cattle MHC class I N01301 presenting an 11mer from Theileria parva | | Descriptor: | BETA-2-MICROGLOBULIN, MHC CLASS 1, UNCHARACTERIZED PROTEIN | | Authors: | Macdonald, I.K, Harkiolaki, M, Hunt, L, Morrison, W.I, Connelley, T, Graham, S.P, Jones, E.Y, Flower, D.R, Ellis, S.A. | | Deposit date: | 2010-05-28 | | Release date: | 2010-10-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mhc Class I Bound to an Immunodominant Theileria Parva Epitope Demonstrates Unconventional Presentation to T Cell Receptors.
Plos Pathog., 6, 2010
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