5TQF
| Factor VIIa in complex with the inhibitor (11R)-11-[(1-aminoisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-13-methyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione | Descriptor: | (11R)-11-[(1-aminoisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-13-methyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione, CALCIUM ION, Factor VIIa (Heavy Chain), ... | Authors: | Wei, A. | Deposit date: | 2016-10-24 | Release date: | 2017-02-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors. ACS Med Chem Lett, 8, 2017
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5TOK
| Crystal structure of the RSV F glycoprotein in complex with the neutralizing single-domain antibody F-VHH-L66 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, Fibritin chimera, ... | Authors: | Gilman, M.S.A, Kabeche, S.C, McLellan, J.S. | Deposit date: | 2016-10-17 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Potent single-domain antibodies that arrest respiratory syncytial virus fusion protein in its prefusion state. Nat Commun, 8, 2017
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5UBR
| CRYSTAL STRUCTURE OF PI3K ALPHA IN COMPLEX WITH A 7-(3-(PIPERAZIN-1-YL)PHENYL)PYRROLO[2,1-F][1,2,4] TRIAZIN-4-AMINE DERIVIATINE | Descriptor: | 1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Sack, J.S. | Deposit date: | 2016-12-21 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of 7-(3-(piperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine derivatives as highly potent and selective PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5TPR
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5TTY
| PagF prenyltransferase | Descriptor: | DI(HYDROXYETHYL)ETHER, PagF prenyltransferase | Authors: | Hao, Y, Nair, S.K. | Deposit date: | 2016-11-04 | Release date: | 2016-11-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular basis for the broad substrate selectivity of a peptide prenyltransferase. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5U03
| Cryo-EM structure of the human CTP synthase filament | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CTP synthase 1, URIDINE 5'-TRIPHOSPHATE | Authors: | Lynch, E.M, Kollman, J.M. | Deposit date: | 2016-11-22 | Release date: | 2017-04-26 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Human CTP synthase filament structure reveals the active enzyme conformation. Nat. Struct. Mol. Biol., 24, 2017
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5TX5
| Rip1 Kinase ( flag 1-294, C34A, C127A, C233A, C240A) with GSK772 | Descriptor: | 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Campobasso, N, Ward, P, Thrope, J. | Deposit date: | 2016-11-15 | Release date: | 2017-07-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases. J. Med. Chem., 60, 2017
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5TZ2
| Crystal structure of human CD47 ECD bound to Fab of C47B222 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C47B222 Fab Heavy Chain, ... | Authors: | Cardoso, R.M.F. | Deposit date: | 2016-11-21 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Anti-leukemic activity and tolerability of anti-human CD47 monoclonal antibodies. Blood Cancer J, 7, 2017
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5TU6
| PagF prenyltransferase with cyclic[INPYLYP] and DMSPP | Descriptor: | DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, METHIONINE, ... | Authors: | Hao, Y, Nair, S.K. | Deposit date: | 2016-11-04 | Release date: | 2016-11-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Molecular basis for the broad substrate selectivity of a peptide prenyltransferase. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5TZT
| Crystal structure of human CD47 ECD bound to Fab of C47B161 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Heavy Chain of Fab C47B161, ... | Authors: | Cardoso, R.M.F. | Deposit date: | 2016-11-22 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Anti-leukemic activity and tolerability of anti-human CD47 monoclonal antibodies. Blood Cancer J, 7, 2017
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5U3C
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5UDE
| Crystal Structure of RSV F B9320 DS-Cav1 | Descriptor: | Fusion glycoprotein F0, SULFATE ION | Authors: | McLellan, J.S. | Deposit date: | 2016-12-26 | Release date: | 2017-05-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants. Sci Transl Med, 9, 2017
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5UC1
| Structural Analysis of Glucocorticoid Receptor beta Ligand Binding Domain Complexed with Glucocorticoid Antagonist RU-486: Implication of Helix 12 in Antagonism | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, ... | Authors: | Pedersen, L.C, Min, J. | Deposit date: | 2016-12-21 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.351 Å) | Cite: | Probing Dominant Negative Behavior of Glucocorticoid Receptor beta through a Hybrid Structural and Biochemical Approach. Mol. Cell. Biol., 2018
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5UEL
| Crystal structure of 354NC102 Fab | Descriptor: | 354NC102 Fab Heavy Chain, 354NC102 Fab Light Chain, SULFATE ION | Authors: | Sievers, S.A, Gristick, H.B, Bjorkman, P.J. | Deposit date: | 2017-01-02 | Release date: | 2017-02-01 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Coexistence of potent HIV-1 broadly neutralizing antibodies and antibody-sensitive viruses in a viremic controller. Sci Transl Med, 9, 2017
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5UBT
| CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A 7-(3-(PIPERAZIN-1-YL)PHENYL)PYRROLO[2,1-F][1,2,4] TRIAZIN-4-AMINE DERIVIATINE | Descriptor: | 1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Sack, J.S. | Deposit date: | 2016-12-21 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery of 7-(3-(piperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine derivatives as highly potent and selective PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5UD9
| Crystal structure of 354BG18 Fab | Descriptor: | Fab heavy chain, Light chain | Authors: | Scharf, L, Bjorkman, P.J. | Deposit date: | 2016-12-23 | Release date: | 2017-02-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Coexistence of potent HIV-1 broadly neutralizing antibodies and antibody-sensitive viruses in a viremic controller. Sci Transl Med, 9, 2017
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5UFP
| Crystal structure of PT2399 bound to HIF2a-B*:ARNT-B* complex | Descriptor: | 3-({(1S)-7-[(difluoromethyl)sulfonyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl}oxy)-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | Authors: | Du, X. | Deposit date: | 2017-01-05 | Release date: | 2017-01-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | On-target efficacy of a HIF-2 alpha antagonist in preclinical kidney cancer models. Nature, 539, 2016
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5U8K
| RitR mutant - C128S | Descriptor: | Response regulator | Authors: | Silvaggi, N.R, Han, L. | Deposit date: | 2016-12-14 | Release date: | 2017-12-20 | Last modified: | 2018-11-28 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | RitR is an archetype for a novel family of redox sensors in the streptococci that has evolved from two-component response regulators and is required for pneumococcal colonization. PLoS Pathog., 14, 2018
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5TU4
| PagF with Boc-Tyr and DMSPP | Descriptor: | DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, N-(tert-butoxycarbonyl)-L-tyrosine, ... | Authors: | Hao, Y, Nair, S.K. | Deposit date: | 2016-11-04 | Release date: | 2016-11-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular basis for the broad substrate selectivity of a peptide prenyltransferase. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5UDC
| Crystal Structure of RSV F A2 Bound to MEDI8897 | Descriptor: | CHLORIDE ION, Fusion glycoprotein F0, MEDI8897 Fab Heavy Chain, ... | Authors: | McLellan, J.S. | Deposit date: | 2016-12-26 | Release date: | 2017-05-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants. Sci Transl Med, 9, 2017
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5UG7
| Calcium bound Perforin C2 Domain - T431D | Descriptor: | CALCIUM ION, Perforin-1 | Authors: | Law, R.H.P, Conroy, P.J, Voskoboinik, I, Whisstock, J.C. | Deposit date: | 2017-01-07 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Perforin proteostasis is regulated through its C2 domain: supra-physiological cell death mediated by T431D-perforin. Cell Death Differ., 25, 2018
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5U6R
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5U9L
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5UHV
| wild-type NRas bound to GppNHp | Descriptor: | GLYCEROL, GTPase NRas, MAGNESIUM ION, ... | Authors: | Reid, D, Johnson, C, Salter, S, Mattos, C. | Deposit date: | 2017-01-12 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.672 Å) | Cite: | The small GTPases K-Ras, N-Ras, and H-Ras have distinct biochemical properties determined by allosteric effects. J. Biol. Chem., 292, 2017
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5UIF
| Crystal Structure of Native Ps01740 | Descriptor: | Ps01740 | Authors: | LeVieux, J, Baas, B.J, Zhang, Y.J, Whitman, C.P. | Deposit date: | 2017-01-13 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Kinetic and structural characterization of a cis-3-Chloroacrylic acid dehalogenase homologue in Pseudomonas sp. UW4: A potential step between subgroups in the tautomerase superfamily. Arch. Biochem. Biophys., 636, 2017
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