2M2Q
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![BU of 2m2q by Molmil](/molmil-images/mine/2m2q) | Solution structure of MCh-1: A novel inhibitor cystine knot peptide from Momordica charantia | Descriptor: | Inhibitor cystine knot peptide MCh-1 | Authors: | He, W, Chan, L, Clark, R.J, Tang, J, Zeng, G, Franco, O.L, Cantacessi, C, Craik, D.J, Daly, N.L, Tan, N. | Deposit date: | 2013-01-01 | Release date: | 2013-11-06 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Novel Inhibitor Cystine Knot Peptides from Momordica charantia. Plos One, 8, 2013
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2ZKU
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![BU of 2zku by Molmil](/molmil-images/mine/2zku) | Structure of hepatitis C virus NS5B polymerase in a new crystal form | Descriptor: | ACETIC ACID, GLYCEROL, Genome polyprotein | Authors: | Biswal, B.K. | Deposit date: | 2008-03-31 | Release date: | 2009-04-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of Hepatitis C Virus Ns5B Polymerase in a New Crystal Form: Insights Into Oligomerisation and Allosteric Nucleotide Binding Site To be Published
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2HXA
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2HX9
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![BU of 2hx9 by Molmil](/molmil-images/mine/2hx9) | |
2HX7
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![BU of 2hx7 by Molmil](/molmil-images/mine/2hx7) | |
2HX8
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4PZX
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![BU of 4pzx by Molmil](/molmil-images/mine/4pzx) | Synthesis, Characterization and PK/PD Studies of a Series of Spirocyclic Pyranochromene BACE1 Inhibitors | Descriptor: | (4R,4a'R,10a'R)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | Authors: | Vigers, G.P.A. | Deposit date: | 2014-03-31 | Release date: | 2014-05-14 | Last modified: | 2014-10-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4PZW
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![BU of 4pzw by Molmil](/molmil-images/mine/4pzw) | Synthesis, Characterization and PK/PD Studies of a Series of Spirocyclic Pyranochromene BACE1 Inhibitors | Descriptor: | (4R,4a'S,10a'S)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | Authors: | Vigers, G.P.A. | Deposit date: | 2014-03-31 | Release date: | 2014-05-14 | Last modified: | 2014-10-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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6XF5
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![BU of 6xf5 by Molmil](/molmil-images/mine/6xf5) | Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (RBDs down) | 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: | Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-06-15 | Release date: | 2020-09-02 | Last modified: | 2020-12-02 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes. SSRN, 2020
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6XF6
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![BU of 6xf6 by Molmil](/molmil-images/mine/6xf6) | Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (1 RBD up) | 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: | Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-06-15 | Release date: | 2020-09-02 | Last modified: | 2020-12-02 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes. SSRN, 2020
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1M6O
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![BU of 1m6o by Molmil](/molmil-images/mine/1m6o) | Crystal Structure of HLA B*4402 in complex with HLA DPA*0201 peptide | Descriptor: | Beta-2-microglobulin, HLA DPA*0201 peptide, HLA class I histocompatibility antigen, ... | Authors: | Macdonald, W.A, Purcell, A.W, Williams, D.S, Mifsud, N.A, Ely, L.K, Gorman, J.J, Clements, C.S, Kjer-Nielsen, L, Koelle, D.M, Brooks, A.G, Lovrecz, G.O, Lu, L, Rossjohn, J, McCluskey, J. | Deposit date: | 2002-07-17 | Release date: | 2003-09-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A naturally selected dimorphism within the HLA-B44 supertype alters class I structure, peptide repertoire, and T cell recognition. J.Exp.Med., 198, 2003
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1N2R
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![BU of 1n2r by Molmil](/molmil-images/mine/1n2r) | A natural selected dimorphism in HLA B*44 alters self, peptide reportoire and T cell recognition. | Descriptor: | ACETIC ACID, Beta-2-microglobulin, HLA DPA*0201 PEPTIDE, ... | Authors: | Macdonald, W.A, Purcell, A.W, Williams, D.S, Mifsud, N, Ely, L.K, Gorman, J.J, Clements, C.S, Kjer-Nielsen, L, Koelle, D.M, Brooks, A.G, Lovrecz, G.O, Lu, L, Rossjohn, J, McCluskey, J. | Deposit date: | 2002-10-24 | Release date: | 2004-03-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A naturally selected dimorphism within the HLA-B44 supertype alters class I structure, peptide repertoire, and T cell recognition. J.Exp.Med., 198, 2003
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6X58
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![BU of 6x58 by Molmil](/molmil-images/mine/6x58) | MPER-Fluc-Ec2 bound to 10E8v4 antibody | Descriptor: | 10E8v4 Fab Heavy Chain, 10E8v4 Fab Light Chain, gp41 MPER peptide,Putative fluoride ion transporter CrcB | Authors: | McIlwain, B.C, Stockbridge, R.B. | Deposit date: | 2020-05-25 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.26 Å) | Cite: | N-terminal Transmembrane-Helix Epitope Tag for X-ray Crystallography and Electron Microscopy of Small Membrane Proteins. J.Mol.Biol., 433, 2021
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2GJJ
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![BU of 2gjj by Molmil](/molmil-images/mine/2gjj) | Crystal structure of a single chain antibody scA21 against Her2/ErbB2 | Descriptor: | A21 single-chain antibody fragment against erbB2, GLYCEROL | Authors: | Zhu, Z. | Deposit date: | 2006-03-31 | Release date: | 2006-10-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Epitope mapping and structural analysis of an anti-ErbB2 antibody A21: Molecular basis for tumor inhibitory mechanism Proteins, 70, 2007
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4Y8D
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![BU of 4y8d by Molmil](/molmil-images/mine/4y8d) | Crystal structure of Cyclin-G associated kinase (GAK) complexed with selective 12i inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline, Cyclin-G-associated kinase, ... | Authors: | Chaikuad, A, Heroven, C, Nowak, R, De Jonghe, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-02-16 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Selective Inhibitors of Cyclin G Associated Kinase (GAK) as Anti-Hepatitis C Agents. J.Med.Chem., 58, 2015
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7LUC
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![BU of 7luc by Molmil](/molmil-images/mine/7luc) | Cryo-EM structure of RSV preF bound by Fabs 32.4K and 01.4B | Descriptor: | 01.4B Fab Heavy chain, 01.4B Fab Light chain, 32.4K Fab Heavy chain, ... | Authors: | Wrapp, D, McLellan, J.S. | Deposit date: | 2021-02-22 | Release date: | 2021-04-21 | Last modified: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Vaccination with prefusion-stabilized respiratory syncytial virus fusion protein induces genetically and antigenically diverse antibody responses. Immunity, 54, 2021
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7LUE
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7LUD
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![BU of 7lud by Molmil](/molmil-images/mine/7lud) | Crystal structure of Fab ADI-14442 | Descriptor: | ADI-14442 Fab Heavy chain, ADI-14442 Fab Light chain, SULFATE ION | Authors: | Rush, S.A, McLellan, J.S. | Deposit date: | 2021-02-22 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Vaccination with prefusion-stabilized respiratory syncytial virus fusion protein induces genetically and antigenically diverse antibody responses. Immunity, 54, 2021
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5LGG
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![BU of 5lgg by Molmil](/molmil-images/mine/5lgg) | The N-terminal WD40 domain of Apc1 (Anaphase promoting complex subunit 1) | Descriptor: | Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1 | Authors: | Li, Q, Aibara, S, Barford, D. | Deposit date: | 2016-07-07 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | WD40 domain of Apc1 is critical for the coactivator-induced allosteric transition that stimulates APC/C catalytic activity. Proc.Natl.Acad.Sci.USA, 113, 2016
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5W5V
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![BU of 5w5v by Molmil](/molmil-images/mine/5w5v) | TBK1 co-crystal structure with amlexanox | Descriptor: | 2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2017-06-15 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.645 Å) | Cite: | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Mol. Pharmacol., 94, 2018
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5TXF
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![BU of 5txf by Molmil](/molmil-images/mine/5txf) | Crystal structure of Lecithin:cholesterol acyltransferase (LCAT) in a closed conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Phosphatidylcholine-sterol acyltransferase, ... | Authors: | Manthei, K.A, Glukhova, A, Tesmer, J.J.G. | Deposit date: | 2016-11-16 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A retractable lid in lecithin:cholesterol acyltransferase provides a structural mechanism for activation by apolipoprotein A-I. J. Biol. Chem., 292, 2017
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5DJ4
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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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6CES
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![BU of 6ces by Molmil](/molmil-images/mine/6ces) | Cryo-EM structure of GATOR1-RAG | Descriptor: | GATOR complex protein DEPDC5, GATOR complex protein NPRL2, GATOR complex protein NPRL3, ... | Authors: | Shen, K, Huang, R.K, Brignole, E.J, Yu, Z, Sabatini, D.M. | Deposit date: | 2018-02-12 | Release date: | 2018-03-28 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Architecture of the human GATOR1 and GATOR1-Rag GTPases complexes. Nature, 556, 2018
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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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