6CQ4
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![BU of 6cq4 by Molmil](/molmil-images/mine/6cq4) | TBK1 in Complex with Cyclohexyl Analog of Amlexanox | Descriptor: | 2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2018-03-14 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity. Bioorg. Med. Chem., 26, 2018
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3FTH
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3QR0
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![BU of 3qr0 by Molmil](/molmil-images/mine/3qr0) | Crystal Structure of S. officinalis PLC21 | Descriptor: | CALCIUM ION, GLYCEROL, phospholipase C-beta (PLC-beta) | Authors: | Lyon, A.M, Northup, J.K, Tesmer, J.J.G. | Deposit date: | 2011-02-16 | Release date: | 2011-08-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An autoinhibitory helix in the C-terminal region of phospholipase C-beta mediates Galphaq activation. Nat.Struct.Mol.Biol., 18, 2011
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3QC9
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6CQ0
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![BU of 6cq0 by Molmil](/molmil-images/mine/6cq0) | TBK1 in Complex with Dimethyl Amino Analog of Amlexanox | Descriptor: | 2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2018-03-14 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity. Bioorg. Med. Chem., 26, 2018
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3QR1
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![BU of 3qr1 by Molmil](/molmil-images/mine/3qr1) | Crystal Structure of L. pealei PLC21 | Descriptor: | CALCIUM ION, PHOSPHOLIPASE C-BETA (PLC-BETA) | Authors: | Lyon, A.M, Suddala, K.C, Northup, J.K, Tesmer, J.J.G. | Deposit date: | 2011-02-16 | Release date: | 2011-08-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | An autoinhibitory helix in the C-terminal region of phospholipase C-beta mediates Galphaq activation. Nat.Struct.Mol.Biol., 18, 2011
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2OWX
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![BU of 2owx by Molmil](/molmil-images/mine/2owx) | THERMUS THERMOPHILUS AMYLOMALTASE AT pH 5.6 | Descriptor: | 4-alpha-glucanotransferase, GLYCEROL, MALONATE ION | Authors: | Barends, T.R.M, Kaper, T, Bultema, J.J, Dijkhuizen, L, van der Maarel, J.E.C, Dijkstra, B.W. | Deposit date: | 2007-02-17 | Release date: | 2007-04-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Three-way stabilization of the covalent intermediate in amylomaltase, an alpha-amylase-like transglycosylase. J.Biol.Chem., 282, 2007
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2OZR
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![BU of 2ozr by Molmil](/molmil-images/mine/2ozr) | MMP13 Catalytic Domain Complexed with 4-{[1-methyl-2,4-dioxo-6-(3-phenylprop-1-yn-1-yl)-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzoic acid | Descriptor: | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID, ACETOHYDROXAMIC ACID, CALCIUM ION, ... | Authors: | Johnson, A.R, Pavlovsky, A.G, Ortwine, D.F, Prior, F, Man, C.-F, Bornemeier, D.A, Banotai, C.A, Mueller, W.T, McConnell, P, Yan, C.H, Baragi, V, Lesch, C, Roark, W.H, Lie, J.J, Fasquelle, V, Wilson, M, Robertson, D, Datta, K, Guzman, R, Han, H.-K, Dyer, R.D. | Deposit date: | 2007-02-27 | Release date: | 2007-07-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and characterization of a novel inhibitor of matrix metalloprotease-13 that reduces cartilage damage in vivo without joint fibroplasia side effects. J.Biol.Chem., 282, 2007
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3G7V
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![BU of 3g7v by Molmil](/molmil-images/mine/3g7v) | Islet Amyloid Polypeptide (IAPP or Amylin) fused to Maltose Binding Protein | Descriptor: | GLYCEROL, Maltose-binding periplasmic protein, Islet amyloid polypeptide fusion protein, ... | Authors: | Wiltzius, J.J.W, Sawaya, M.R, Eisenberg, D. | Deposit date: | 2009-02-10 | Release date: | 2009-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Atomic structures of IAPP (amylin) fusions suggest a mechanism for fibrillation and the role of insulin in the process Protein Sci., 18, 2009
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3FOD
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2NIP
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![BU of 2nip by Molmil](/molmil-images/mine/2nip) | NITROGENASE IRON PROTEIN FROM AZOTOBACTER VINELANDII | Descriptor: | IRON/SULFUR CLUSTER, NITROGENASE IRON PROTEIN | Authors: | Komiya, H, Georgiadis, M.M, Chakrabarti, P, Woo, D, Kornuc, J.J, Rees, D.C. | Deposit date: | 1998-05-11 | Release date: | 1998-11-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Conformational variability in structures of the nitrogenase iron proteins from Azotobacter vinelandii and Clostridium pasteurianum. J.Mol.Biol., 280, 1998
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3UAJ
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![BU of 3uaj by Molmil](/molmil-images/mine/3uaj) | Crystal structure of the envelope glycoprotein ectodomain from dengue virus serotype 4 in complex with the fab fragment of the chimpanzee monoclonal antibody 5H2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, monoclonal antibody 5H2, ... | Authors: | Cockburn, J.J.B, Stura, E.A, Navarro-Sanchez, M.E, Rey, F.A. | Deposit date: | 2011-10-21 | Release date: | 2011-12-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.232 Å) | Cite: | Structural insights into the neutralization mechanism of a higher primate antibody against dengue virus. Embo J., 31, 2012
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2QKW
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![BU of 2qkw by Molmil](/molmil-images/mine/2qkw) | Structural basis for activation of plant immunity by bacterial effector protein AvrPto | Descriptor: | Avirulence protein, Protein kinase | Authors: | Xing, W.M, Zou, Y, Liu, Q, Hao, Q, Zhou, J.M, Chai, J.J. | Deposit date: | 2007-07-11 | Release date: | 2007-08-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The structural basis for activation of plant immunity by bacterial effector protein AvrPto Nature, 449, 2007
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1CJT
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![BU of 1cjt by Molmil](/molmil-images/mine/1cjt) | COMPLEX OF GS-ALPHA WITH THE CATALYTIC DOMAINS OF MAMMALIAN ADENYLYL CYCLASE: COMPLEX WITH BETA-L-2',3'-DIDEOXYATP, MN, AND MG | Descriptor: | 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ... | Authors: | Tesmer, J.J.G, Sprang, S.R. | Deposit date: | 1999-04-16 | Release date: | 1999-08-31 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Two-metal-Ion catalysis in adenylyl cyclase. Science, 285, 1999
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7S9V
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![BU of 7s9v by Molmil](/molmil-images/mine/7s9v) | DrmAB:ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DrmA, DrmB | Authors: | Bravo, J.P.K, Taylor, D.W, Brouns, S.J.J, Aparicio-Maldonado, C. | Deposit date: | 2021-09-21 | Release date: | 2022-06-15 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for broad anti-phage immunity by DISARM. Nat Commun, 13, 2022
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7S9W
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![BU of 7s9w by Molmil](/molmil-images/mine/7s9w) | Structure of DrmAB:ADP:DNA complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*T)-3'), DrmA, ... | Authors: | Bravo, J.P.K, Taylor, D.W, Brounds, S.J.J, Aparicio-Maldonado, C. | Deposit date: | 2021-09-21 | Release date: | 2022-06-15 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis for broad anti-phage immunity by DISARM. Nat Commun, 13, 2022
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2I1K
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1WCO
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![BU of 1wco by Molmil](/molmil-images/mine/1wco) | The solution structure of the nisin-lipid II complex | Descriptor: | (2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALA-FGA-LYS-DAL-DAL PEPTIDE, ... | Authors: | Hsu, S.-T.D, Breukink, E, Tischenko, E, Lutters, M.A.G, de Kruijff, B, Kaptein, R, Bonvin, A.M.J.J, van Nuland, N.A.J. | Deposit date: | 2004-11-19 | Release date: | 2005-03-07 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The nisin-lipid II complex reveals a pyrophosphate cage that provides a blueprint for novel antibiotics. Nat. Struct. Mol. Biol., 11, 2004
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7SJ4
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![BU of 7sj4 by Molmil](/molmil-images/mine/7sj4) | Human Trio residues 1284-1959 in complex with Rac1 | Descriptor: | Ras-related C3 botulinum toxin substrate 1, Triple functional domain protein | Authors: | Chen, C.-L, Ravala, S.K, Bandekar, S.J, Cash, J, Tesmer, J.J.G. | Deposit date: | 2021-10-15 | Release date: | 2022-07-06 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Structural/functional studies of Trio provide insights into its configuration and show that conserved linker elements enhance its activity for Rac1. J.Biol.Chem., 298, 2022
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7SK6
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![BU of 7sk6 by Molmil](/molmil-images/mine/7sk6) | Cryo-EM structure of human ACKR3 in complex with chemokine N-terminal mutant CXCL12_LRHQ and an intracellular Fab | Descriptor: | Atypical chemokine receptor 3, CID24 Fab heavy chain, CID24 Fab light chain, ... | Authors: | Yen, Y.C, Schafer, C.T, Gustavsson, M, Handel, T.M, Tesmer, J.J.G. | Deposit date: | 2021-10-19 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias. Sci Adv, 8, 2022
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7SK4
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![BU of 7sk4 by Molmil](/molmil-images/mine/7sk4) | Cryo-EM structure of ACKR3 in complex with chemokine N-terminal mutant CXCL12_LRHQ, an intracellular Fab, and an extracellular Fab | Descriptor: | Atypical chemokine receptor 3, CHOLESTEROL, CID24 Fab heavy chain, ... | Authors: | Yen, Y.C, Schafer, C.T, Gustavsson, M, Handel, T.M, Tesmer, J.J.G. | Deposit date: | 2021-10-19 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias. Sci Adv, 8, 2022
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7SK9
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![BU of 7sk9 by Molmil](/molmil-images/mine/7sk9) | Cryo-EM structure of human ACKR3 in complex with a small molecule partial agonist CCX662, and an intracellular Fab | Descriptor: | (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium, Atypical chemokine receptor 3, CHOLESTEROL, ... | Authors: | Yen, Y.C, Schafer, C.T, Gustavsson, M, Handel, T.M, Tesmer, J.J.G. | Deposit date: | 2021-10-19 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias. Sci Adv, 8, 2022
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7SK3
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![BU of 7sk3 by Molmil](/molmil-images/mine/7sk3) | Cryo-EM structure of ACKR3 in complex with CXCL12, an intracellular Fab, and an extracellular Fab | Descriptor: | Atypical chemokine receptor 3, CHOLESTEROL, CID24 Fab heavy chain, ... | Authors: | Yen, Y.C, Schafer, C.T, Gustavsson, M, Handel, T.M, Tesmer, J.J.G. | Deposit date: | 2021-10-19 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias. Sci Adv, 8, 2022
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7SK5
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![BU of 7sk5 by Molmil](/molmil-images/mine/7sk5) | Cryo-EM structure of ACKR3 in complex with CXCL12 and an intracellular Fab | Descriptor: | Anti-Fab nanobody, Atypical chemokine receptor 3, CHOLESTEROL, ... | Authors: | Yen, Y.C, Schafer, C.T, Gustavsson, M, Handel, T.M, Tesmer, J.J.G. | Deposit date: | 2021-10-19 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias. Sci Adv, 8, 2022
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7SK8
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![BU of 7sk8 by Molmil](/molmil-images/mine/7sk8) | Cryo-EM structure of human ACKR3 in complex with CXCL12, a small molecule partial agonist CCX662, an extracellular Fab, and an intracellular Fab | Descriptor: | (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium, Atypical chemokine receptor 3, CHOLESTEROL, ... | Authors: | Yen, Y.C, Schafer, C.T, Gustavsson, M, Handel, T.M, Tesmer, J.J.G. | Deposit date: | 2021-10-19 | Release date: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structures of atypical chemokine receptor 3 reveal the basis for its promiscuity and signaling bias. Sci Adv, 8, 2022
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