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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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