5TFG
| Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with 5-methyl-UTP | Descriptor: | 5-Methyluridine triphosphate, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | Deposit date: | 2016-09-25 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain To Be Published
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5SYQ
| Solution structure of Aquifex aeolicus Aq1974 | Descriptor: | Uncharacterized protein aq_1974 | Authors: | Sachleben, J.R, Gawlak, G, Hoey, R.J, Liu, G, Joachimiak, A, Montelione, G.T, Koide, S, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2016-08-11 | Release date: | 2016-09-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Aromatic claw: A new fold with high aromatic content that evades structural prediction. Protein Sci., 26, 2017
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5U5N
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5TXR
| Structure of ALAS from S. cerevisiae non-covalently bound to PLP cofactor | Descriptor: | 5-aminolevulinate synthase, mitochondrial, FORMIC ACID, ... | Authors: | Brown, B.L, Grant, R.A, Kardon, J.R, Sauer, R.T, Baker, T.A. | Deposit date: | 2016-11-17 | Release date: | 2018-03-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the Mitochondrial Aminolevulinic Acid Synthase, a Key Heme Biosynthetic Enzyme. Structure, 26, 2018
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5TY6
| Crystal structure of the broadly neutralizing Influenza A antibody VRC 315 13-1b02 Fab. | Descriptor: | GLYCEROL, VRC 315 13-1b02 Fab Heavy chain, VRC 315 13-1b02 Fab Light chain | Authors: | Joyce, M.G, Andrews, S.F, Mascola, J.R, McDermott, A.B, Kwong, P.D. | Deposit date: | 2016-11-18 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.361 Å) | Cite: | Preferential induction of cross-group influenza A hemagglutinin stem-specific memory B cells after H7N9 immunization in humans. Sci Immunol, 2, 2017
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5U58
| Psf4 in complex with Fe2+ and (R)-2-HPP | Descriptor: | (S)-2-hydroxypropylphosphonic acid epoxidase, FE (III) ION, [(2R)-2-hydroxypropyl]phosphonic acid | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2016-12-06 | Release date: | 2017-01-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Characterization of Two Late-Stage Enzymes Involved in Fosfomycin Biosynthesis in Pseudomonads. ACS Chem. Biol., 12, 2017
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5UFJ
| Crystal Structure of Carbonmonoxy Hemoglobin S (Liganded Sickle Cell Hemoglobin) Complexed with GBT Compound 6 | Descriptor: | 5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B. | Deposit date: | 2017-01-04 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin. ACS Med Chem Lett, 8, 2017
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5VBT
| Crystal structure of a highly specific and potent USP7 ubiquitin variant inhibitor | Descriptor: | UBH04 | Authors: | DONG, A, DONG, X, LIU, L, GUO, Y, LI, Y, ZHANG, W, WALKER, J.R, SIDHU, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2017-03-30 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Crystal structure of a highly specific and potent USP7 ubiquitin variant inhibitor to be published
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5UD6
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5UI3
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5ULO
| Crystal Structure of 14-3-3 zeta in Complex with a Serine 124-phosphorylated TBC1D7 peptide | Descriptor: | 1,2-ETHANEDIOL, 14-3-3 protein zeta/delta, L-PROLINAMIDE, ... | Authors: | DONG, A, HU, J, MADIGAN, J, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2017-01-25 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal Structure of 14-3-3 zeta in Complex with a Serine 124-phosphorylated TBC1D7 peptide to be published
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5V1U
| TbiB1 in Complex with the TbiA(beta) Leader Peptide | Descriptor: | TbiA(beta) Thr(-5)Glu Leader, TbiB1, ZINC ION | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2017-03-02 | Release date: | 2018-09-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Steric complementarity directs sequence promiscuous leader binding in RiPP biosynthesis. Proc.Natl.Acad.Sci.USA, 116, 2019
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5V1V
| TbiB1 in Complex with the TbiA(alpha) Leader Peptide | Descriptor: | TbiA(alpha) Leader Peptide, TbiB1, ZINC ION | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2017-03-02 | Release date: | 2018-09-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Steric complementarity directs sequence promiscuous leader binding in RiPP biosynthesis. Proc.Natl.Acad.Sci.USA, 116, 2019
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5V84
| CECR2 in complex with Cpd6 (6-allyl-N,2-dimethyl-7-oxo-N-(1-(1-phenylethyl)piperidin-4-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-carboxamide) | Descriptor: | Cat eye syndrome critical region protein 2, N,2-dimethyl-7-oxo-N-{1-[(1S)-1-phenylethyl]piperidin-4-yl}-6-(prop-2-en-1-yl)-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4- carboxamide, SULFATE ION | Authors: | Murray, J.M, Kiefer, J.R, Jayaran, H, Bellon, S, Boy, F. | Deposit date: | 2017-03-21 | Release date: | 2017-06-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | GNE-886: A Potent and Selective Inhibitor of the Cat Eye Syndrome Chromosome Region Candidate 2 Bromodomain (CECR2). ACS Med Chem Lett, 8, 2017
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5TF2
| CRYSTAL STRUCTURE OF THE WD40 DOMAIN OF THE HUMAN PROLACTIN REGULATORY ELEMENT-BINDING PROTEIN | Descriptor: | Prolactin regulatory element-binding protein, UNKNOWN ATOM OR ION | Authors: | Walker, J.R, Zhang, Q, Dong, A, Wernimont, A, Li, Y, He, H, Tempel, W, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Chen, Z, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-23 | Release date: | 2016-11-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | CRYSTAL STRUCTURE OF THE WD40 DOMAIN OF THE HUMAN PROLACTIN REGULATORY ELEMENT-BINDING PROTEIN (CASP target) To be published
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5TFC
| Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with GTP | Descriptor: | Cystic fibrosis transmembrane conductance regulator, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | Deposit date: | 2016-09-24 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain To Be Published
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5UPW
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5UV6
| Crystal structure of human Opioid Binding Protein/Cell Adhesion Molecule Like (OPCML) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Opioid-binding protein/cell adhesion molecule, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Birtley, J.R, Stern, L.J, Gabra, H, Zanini, E. | Deposit date: | 2017-02-19 | Release date: | 2018-03-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.65002 Å) | Cite: | Inactivating mutations and X-ray crystal structure of the tumor suppressor OPCML reveal cancer-associated functions. Nat Commun, 10, 2019
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5UND
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5UW5
| PCY1 H695A Variant in Complex with Follower Peptide | Descriptor: | CACODYLATE ION, CALCIUM ION, Peptide cyclase 1, ... | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2017-02-20 | Release date: | 2017-05-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Characterization of the macrocyclase involved in the biosynthesis of RiPP cyclic peptides in plants. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5VBB
| Human RNA Pseudouridylate Synthase Domain Containing 1 | Descriptor: | CHLORIDE ION, GLYCEROL, RNA pseudouridylate synthase domain-containing protein 1, ... | Authors: | DONG, A, ZENG, H, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-03-29 | Release date: | 2017-04-19 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Human RNA Pseudouridylate Synthase Domain Containing 1 to be published
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5V9T
| Crystal structure of selective pyrrolidine amide KDM5a inhibitor N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide (compound 48) | Descriptor: | Lysine-specific demethylase 5A, N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide, NICKEL (II) ION, ... | Authors: | Kiefer, J.R, Liang, J, Vinogradova, M. | Deposit date: | 2017-03-23 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5UW7
| PCY1 Y481F Variant in Complex with Follower Peptide | Descriptor: | MAGNESIUM ION, Peptide cyclase 1, Presegetalin A1 | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2017-02-20 | Release date: | 2017-05-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Characterization of the macrocyclase involved in the biosynthesis of RiPP cyclic peptides in plants. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5VIC
| Crystal structure of anti-Zika antibody Z004 bound to DENV-1 Envelope protein DIII | Descriptor: | Dengue 1 Envelope DIII domain, Fab heavy chain, Fab light chain | Authors: | Keeffe, J.R, West Jr, A.P, Gristick, H.B, Bjorkman, P.J. | Deposit date: | 2017-04-14 | Release date: | 2017-05-03 | Last modified: | 2017-05-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Recurrent Potent Human Neutralizing Antibodies to Zika Virus in Brazil and Mexico. Cell, 169, 2017
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6MOS
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