5ZR6
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![BU of 5zr6 by Molmil](/molmil-images/mine/5zr6) | Manganese-dependent transcriptional repressor complex with manganese | Descriptor: | MANGANESE (II) ION, Metal-dependent transcriptional regulator | Authors: | Cong, X.Y, Xu, S.J, Wang, J.B. | Deposit date: | 2018-04-23 | Release date: | 2019-03-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of manganese-dependent transcriptional repressor MntR (Rv2788) from Mycobacterium tuberculosis in apo and manganese bound forms. Biochem. Biophys. Res. Commun., 501, 2018
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2QA8
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![BU of 2qa8 by Molmil](/molmil-images/mine/2qa8) | Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Mutant 537S Complexed with Genistein | Descriptor: | Estrogen receptor, GENISTEIN, nuclear receptor coactivator 2 | Authors: | Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | Deposit date: | 2007-06-14 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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6DO7
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![BU of 6do7 by Molmil](/molmil-images/mine/6do7) | NMR solution structure of wild type hFABP1 with GW7647 | Descriptor: | Fatty acid-binding protein, liver | Authors: | Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R. | Deposit date: | 2018-06-09 | Release date: | 2019-01-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists. J. Biol. Chem., 294, 2019
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6A0H
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1N1M
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![BU of 1n1m by Molmil](/molmil-images/mine/1n1m) | Human Dipeptidyl Peptidase IV/CD26 in complex with an inhibitor | Descriptor: | 2-AMINO-3-METHYL-1-PYRROLIDIN-1-YL-BUTAN-1-ONE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rasmussen, H.B, Branner, S, Wiberg, F.C, Wagtmann, N.R. | Deposit date: | 2002-10-18 | Release date: | 2002-12-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human dipeptidyl peptidase IV/CD26 in complex with a substrate analogue Nat.Struct.Biol., 10, 2003
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2QGW
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![BU of 2qgw by Molmil](/molmil-images/mine/2qgw) | Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with a Chloro-Indazole Compound | Descriptor: | 3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | Deposit date: | 2007-06-29 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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6U6V
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![BU of 6u6v by Molmil](/molmil-images/mine/6u6v) | Crystal structure of human PD-1H / VISTA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, V-type immunoglobulin domain-containing suppressor of T-cell activation | Authors: | Slater, B.T, Han, X, Chen, L, Xiong, Y. | Deposit date: | 2019-08-30 | Release date: | 2020-01-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insight into T cell coinhibition by PD-1H (VISTA). Proc.Natl.Acad.Sci.USA, 117, 2020
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3HCS
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![BU of 3hcs by Molmil](/molmil-images/mine/3hcs) | Crystal structure of the N-terminal domain of TRAF6 | Descriptor: | TNF receptor-associated factor 6, ZINC ION | Authors: | Yin, Q, Lin, S.-C, Lamothe, B, Lu, M, Lo, Y.-C, Hura, G, Zheng, L, Rich, R.L, Campos, A.D, Myszka, D.G, Lenardo, M.J, Darnay, B.G, Wu, H. | Deposit date: | 2009-05-06 | Release date: | 2009-05-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | E2 interaction and dimerization in the crystal structure of TRAF6. Nat.Struct.Mol.Biol., 16, 2009
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6A3N
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![BU of 6a3n by Molmil](/molmil-images/mine/6a3n) | Crystal structure of the PDE9 catalytic domain in complex with inhibitor 2 | Descriptor: | 1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Wu, Y.N, Zhou, Q, Chen, Y.P, Luo, H.B. | Deposit date: | 2018-06-15 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors against Phosphodiesterase-9, a Novel Target for the Treatment of Vascular Dementia. J. Med. Chem., 62, 2019
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8RO4
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![BU of 8ro4 by Molmil](/molmil-images/mine/8ro4) | The crystal structure of 2-hydroxy-3-keto-glucal hydratase AtHYD from A. tumefaciens | Descriptor: | 2-hydroxy-3-keto-glucal hydratase, MANGANESE (II) ION | Authors: | Grininger, C, Bitter, J, Pfeiffer, M, Nidetzky, B, Pavkov-Keller, T. | Deposit date: | 2024-01-11 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Enzyme Machinery for Bacterial Glucoside Metabolism through a Conserved Non-hydrolytic Pathway. Angew.Chem.Int.Ed.Engl., 2024
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5XE7
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4GGH
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![BU of 4ggh by Molmil](/molmil-images/mine/4ggh) | Crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, hepes, and ethylene glycol bound (ordered loops, space group c2221) | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-08-06 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, hepes, and ethylene glycol bound (ordered loops, space group c2221) To be Published
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8BJM
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5ZW9
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![BU of 5zw9 by Molmil](/molmil-images/mine/5zw9) | Crystal structure of Pyridoxal kinase (PdxK) from Salmonella typhimurium | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Deka, G, Benazir, J.F, Kalyani, J.N, Savithri, H.S, Murthy, M.R.N. | Deposit date: | 2018-05-14 | Release date: | 2019-05-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and functional studies on Salmonella typhimurium pyridoxal kinase: the first structural evidence for the formation of Schiff base with the substrate. Febs J., 286, 2019
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5DS5
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![BU of 5ds5 by Molmil](/molmil-images/mine/5ds5) | Crystal structure the Escherichia coli Cas1-Cas2 complex bound to protospacer DNA and Mg | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER), ... | Authors: | Nunez, J.K, Harrington, L.B, Kranzusch, P.J, Engelman, A.N, Doudna, J.A. | Deposit date: | 2015-09-16 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.951 Å) | Cite: | Foreign DNA capture during CRISPR-Cas adaptive immunity. Nature, 527, 2015
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6RSU
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![BU of 6rsu by Molmil](/molmil-images/mine/6rsu) | TBK1 in complex with Inhibitor compound 35 | Descriptor: | 3,3,3-tris(fluoranyl)-1-[4-[(1~{R})-1-[2-[[(2~{S})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one, Serine/threonine-protein kinase TBK1 | Authors: | Panne, D, Hillig, R.C, Rengachari, S. | Deposit date: | 2019-05-22 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor. J.Med.Chem., 63, 2020
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6DXY
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![BU of 6dxy by Molmil](/molmil-images/mine/6dxy) | Murine N-acylethanolamine-hydrolyzing acid amidase (NAAA) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, ... | Authors: | Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B. | Deposit date: | 2018-07-01 | Release date: | 2018-09-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Molecular mechanism of activation of the immunoregulatory amidase NAAA. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6RTB
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![BU of 6rtb by Molmil](/molmil-images/mine/6rtb) | cryo-em structure of alpha-synuclein fibril polymorph 2B | Descriptor: | Alpha-synuclein | Authors: | Guerrero-Ferreira, R, Taylor, N.M.I, Arteni, A.A, Melki, R, Meier, B.H, Bockmann, A, Bousset, L, Stahlberg, H. | Deposit date: | 2019-05-22 | Release date: | 2019-06-26 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Two new polymorphic structures of human full-length alpha-synuclein fibrils solved by cryo-electron microscopy. Elife, 8, 2019
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7V7H
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![BU of 7v7h by Molmil](/molmil-images/mine/7v7h) | Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1), dimer of S trimer conformation 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. | Deposit date: | 2021-08-21 | Release date: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1), dimer of S trimer conformation 1 To Be Published
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7V7J
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![BU of 7v7j by Molmil](/molmil-images/mine/7v7j) | Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1), dimer of S trimer conformation 3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. | Deposit date: | 2021-08-21 | Release date: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1), dimer of S trimer conformation 3 To Be Published
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5JQZ
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![BU of 5jqz by Molmil](/molmil-images/mine/5jqz) | Designed two-ring homotetramer at 3.8A resolution | Descriptor: | De novo designed homotetramer | Authors: | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Oberdorfer, G, Boyken, S.E, Chen, Z. | Deposit date: | 2016-05-05 | Release date: | 2016-06-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.83 Å) | Cite: | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity. Science, 352, 2016
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6IJR
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![BU of 6ijr by Molmil](/molmil-images/mine/6ijr) | Human PPARgamma ligand binding domain complexed with SB1495 | Descriptor: | 16 mer peptide from Nuclear receptor coactivator 1, N-{[3-({[(1S,2R)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide, Peroxisome proliferator-activated receptor gamma | Authors: | Jang, J.Y, Han, B.W. | Deposit date: | 2018-10-11 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural basis for the inhibitory effects of a novel reversible covalent ligand on PPAR gamma phosphorylation. Sci Rep, 9, 2019
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7V7I
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![BU of 7v7i by Molmil](/molmil-images/mine/7v7i) | Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1), dimer of S trimer conformation 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. | Deposit date: | 2021-08-21 | Release date: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1), dimer of S trimer conformation 2 To Be Published
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6DQ5
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6U9G
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![BU of 6u9g by Molmil](/molmil-images/mine/6u9g) | Structure of Francisella PdpA-VgrG Complex, half-lidded | Descriptor: | PdpA, VgrG | Authors: | Yang, X, Clemens, D.L, Lee, B.-Y, Cui, Y, Zhou, Z.H, Horwitz, M.A. | Deposit date: | 2019-09-08 | Release date: | 2019-10-23 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.98 Å) | Cite: | Atomic Structure of the Francisella T6SS Central Spike Reveals a Unique alpha-Helical Lid and a Putative Cargo. Structure, 27, 2019
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