3E7L
| Crystal structure of sigma54 activator NtrC4's DNA binding domain | Descriptor: | Transcriptional regulator (NtrC family), ZINC ION | Authors: | Batchelor, J.D, Doucleff, M, Lee, C.-J, Matsubara, K, De Carlo, S, Heideker, J, Lamers, M.M, Pelton, J.G, Wemmer, D.E. | Deposit date: | 2008-08-18 | Release date: | 2008-11-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.252 Å) | Cite: | Structure and regulatory mechanism of Aquifex aeolicus NtrC4: variability and evolution in bacterial transcriptional regulation. J.Mol.Biol., 384, 2008
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3DZD
| Crystal structure of sigma54 activator NTRC4 in the inactive state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, SODIUM ION, Transcriptional regulator (NtrC family) | Authors: | Batchelor, J.D, Doucleff, M, Lee, C.-J, Matsubara, K, De Carlo, S, Heideker, J, Lamers, M.M, Pelton, J.G, Wemmer, D.E. | Deposit date: | 2008-07-29 | Release date: | 2008-11-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and regulatory mechanism of Aquifex aeolicus NtrC4: variability and evolution in bacterial transcriptional regulation. J.Mol.Biol., 384, 2008
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4G3V
| Crystal structure of A. Aeolicus nlh2 gaf domain in an inactive state | Descriptor: | CHLORIDE ION, Transcriptional regulator nlh2 | Authors: | Batchelor, J.D, Lee, P, Wang, A, Doucleff, M, Wemmer, D.E. | Deposit date: | 2012-07-15 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural mechanism of GAF-regulated delta(54) activators from Aquifex aeolicus J.Mol.Biol., 425, 2013
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4G3W
| Crystal structure of a. aeolicus nlh1 gaf domain in an inactive state | Descriptor: | Transcriptional regulator nlh1 | Authors: | Batchelor, J.D, Wang, A, Lee, P, Doucleff, M, Wemmer, D.E. | Deposit date: | 2012-07-15 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural mechanism of GAF-regulated delta(54) activators from Aquifex aeolicus J.Mol.Biol., 425, 2013
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4G3K
| Crystal structure of a. aeolicus nlh1 gaf domain in an inactive state | Descriptor: | Transcriptional regulator nlh1 | Authors: | Wemmer, D.E, Batchelor, J.D, Wang, A, Lee, P, Doucleff, M. | Deposit date: | 2012-07-14 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural mechanism of GAF-regulated delta(54) activators from Aquifex aeolicus J.Mol.Biol., 425, 2013
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6WBS
| Human CFTR first nucleotide binding domain with dF508/V510D | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Simon, K.S, Kothe, M, Hilbert, B, Batchelor, J.D, Hurlbut, G.D. | Deposit date: | 2020-03-27 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.857 Å) | Cite: | Determining the Molecular Mechanism of Suppressor Mutation V510D and the Contribution of Helical Unraveling to the dF508-CFTR Defect To Be Published
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7KWO
| rFVIIIFc-VWF-XTEN (BIVV001) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (II) ION, ... | Authors: | Fuller, J.R, Batchelor, J.D. | Deposit date: | 2020-12-01 | Release date: | 2021-03-03 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular determinants of the factor VIII/von Willebrand factor complex revealed by BIVV001 cryo-electron microscopy. Blood, 137, 2021
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6VRV
| Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model | Descriptor: | 4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide, GLYCEROL, Serine/threonine-protein kinase pim-1 | Authors: | Barberis, C.E, Batchelor, J.D, Liu, J. | Deposit date: | 2020-02-10 | Release date: | 2020-11-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model. Bioorg.Med.Chem.Lett., 30, 2020
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6VRU
| PIM-inhibitor complex 1 | Descriptor: | 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide, ACETATE ION, IMIDAZOLE, ... | Authors: | Barberis, C.E, Batchelor, J.D, Mechin, I, Liu, J. | Deposit date: | 2020-02-10 | Release date: | 2020-11-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model. Bioorg.Med.Chem.Lett., 30, 2020
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4L4U
| Crystal structure of construct containing A. aeolicus NtrC1 receiver, central and DNA binding domains | Descriptor: | Transcriptional regulator (NtrC family) | Authors: | Vidangos, N.K, Maris, A.E, Young, A, Hong, E, Pelton, J.G, Batchelor, J.D, Wemmer, D.E. | Deposit date: | 2013-06-09 | Release date: | 2013-08-28 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure, function, and tethering of DNA-binding domains in sigma (54) transcriptional activators. Biopolymers, 99, 2013
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4L5E
| Crystal structure of A. aeolicus NtrC1 DNA binding domain | Descriptor: | SULFATE ION, Transcriptional regulator (NtrC family) | Authors: | Young, A, Maris, A.E, Vidangos, N.K, Hong, E, Pelton, J.G, Batchelor, J.D, Wemmer, D.E. | Deposit date: | 2013-06-10 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Structure, function, and tethering of DNA-binding domains in sigma (54) transcriptional activators. Biopolymers, 99, 2013
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2OIH
| Hepatitis Delta Virus gemonic ribozyme precursor with C75U mutation and bound to monovalent cation Tl+ | Descriptor: | HDV ribozyme, THALLIUM (I) ION, U1 small nuclear ribonucleoprotein A | Authors: | Ke, A, Ding, F, Batchelor, J.D, Doudna, J.A. | Deposit date: | 2007-01-11 | Release date: | 2007-03-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural roles of monovalent cations in the HDV ribozyme. Structure, 15, 2007
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2OJ3
| Hepatitis Delta Virus ribozyme precursor structure, with C75U mutation, bound to Tl+ and cobalt hexammine (Co(NH3)63+) | Descriptor: | COBALT HEXAMMINE(III), HDV RIBOZYME, THALLIUM (I) ION, ... | Authors: | Ke, A, Ding, F, Batchelor, J.D, Doudna, J.A. | Deposit date: | 2007-01-12 | Release date: | 2007-03-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural roles of monovalent cations in the HDV ribozyme. Structure, 15, 2007
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4GF2
| Crystal structure of Plasmodium falciparum Erythrocyte Binding Antigen 140 (PfEBA-140/BAEBL) | Descriptor: | Erythrocyte binding antigen 140, GLYCEROL | Authors: | Lin, D.H, Malpede, B.M, Batchelor, J.D, Tolia, N.H. | Deposit date: | 2012-08-02 | Release date: | 2012-09-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal and Solution Structures of Plasmodium falciparum Erythrocyte-binding Antigen 140 Reveal Determinants of Receptor Specificity during Erythrocyte Invasion. J.Biol.Chem., 287, 2012
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3RRC
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4NUU
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4NUV
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6DUP
| CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH COMPOUND 7 | Descriptor: | (2S)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7H-[1,3]oxazolo[3,2-a]pyrimidin-7-one, Nuclear receptor subfamily 1 group I member 2 | Authors: | Chen, X, Zhang, Y, Mclean, L.R. | Deposit date: | 2018-06-21 | Release date: | 2018-08-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Amelioration of PXR-mediated CYP3A4 induction by mGluR2 modulators. Bioorg. Med. Chem. Lett., 28, 2018
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5TEL
| Pim-1 kinase in complex with a 7-azaindole | Descriptor: | 4-chloro-2-{5,6-dimethoxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indol-3-yl}-1H-pyrrolo[2,3-b]pyridine, IMIDAZOLE, Serine/threonine-protein kinase pim-1 | Authors: | Mechin, I, Wang, R, Batchelor, J.D. | Deposit date: | 2016-09-22 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.214 Å) | Cite: | Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I. Bioorg. Med. Chem. Lett., 27, 2017
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5TUR
| Pim-1 kinase in complex with a 7-azaindole | Descriptor: | 1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile, Serine/threonine-protein kinase pim-1 | Authors: | Mechin, I, Zhang, Y, Wang, R, Batchelor, J.D, Mclean, L. | Deposit date: | 2016-11-07 | Release date: | 2017-10-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.948 Å) | Cite: | Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I. Bioorg. Med. Chem. Lett., 27, 2017
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5TOE
| Pim-1 kinase in complex with a 7-azaindole | Descriptor: | 2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile, Serine/threonine-protein kinase pim-1 | Authors: | Mclean, L, Mechin, I, Zhang, Y, Wang, R, Batchelor, J.D. | Deposit date: | 2016-10-17 | Release date: | 2017-10-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I. Bioorg. Med. Chem. Lett., 27, 2017
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5TEX
| Pim-1 kinase in complex with a 7-azaindole | Descriptor: | (4-{4-chloro-1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)methanol, IMIDAZOLE, Serine/threonine-protein kinase pim-1 | Authors: | Mechin, I, Wang, R, Batchelor, J.D, McLean, L. | Deposit date: | 2016-09-23 | Release date: | 2017-10-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.149 Å) | Cite: | Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I. Bioorg. Med. Chem. Lett., 27, 2017
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2M8G
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