8GBW
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![BU of 8gbw by Molmil](/molmil-images/mine/8gbw) | Crystal structure of PC39-23D, an anti-HIV broadly neutralizing antibody | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PC39-23D Fab heavy chain, ... | Authors: | Murrell, S, Omorodion, O, Wilson, I.A. | Deposit date: | 2023-02-28 | Release date: | 2023-06-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies. Plos Pathog., 19, 2023
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8GC0
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![BU of 8gc0 by Molmil](/molmil-images/mine/8gc0) | Crystal structure of PC39-50L, an anti-HIV broadly neutralizing antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PC39-50L Fab heavy chain, PC39-50L Fab light chain | Authors: | Murrell, S, Omorodion, O, Wilson, I.A. | Deposit date: | 2023-02-28 | Release date: | 2023-06-07 | Last modified: | 2023-07-12 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies. Plos Pathog., 19, 2023
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6SWT
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![BU of 6swt by Molmil](/molmil-images/mine/6swt) | |
8GBV
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![BU of 8gbv by Molmil](/molmil-images/mine/8gbv) | Crystal structure of PC39-17A, an anti-HIV broadly neutralizing antibody | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, PC39-17A Fab heavy chain, ... | Authors: | Murrell, S, Omorodion, O, Wilson, I.A. | Deposit date: | 2023-02-28 | Release date: | 2023-06-07 | Last modified: | 2023-07-12 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies. Plos Pathog., 19, 2023
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8GC1
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![BU of 8gc1 by Molmil](/molmil-images/mine/8gc1) | |
8GBZ
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![BU of 8gbz by Molmil](/molmil-images/mine/8gbz) | Crystal structure of PC39-55C, an anti-HIV broadly neutralizing antibody | Descriptor: | DI(HYDROXYETHYL)ETHER, PC39-55C Fab heavy chain, PC39-55C Fab light chain | Authors: | Murrell, S, Omorodion, O, Wilson, I.A. | Deposit date: | 2023-02-28 | Release date: | 2023-06-07 | Last modified: | 2023-07-12 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Antigen pressure from two founder viruses induces multiple insertions at a single antibody position to generate broadly neutralizing HIV antibodies. Plos Pathog., 19, 2023
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4IGS
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![BU of 4igs by Molmil](/molmil-images/mine/4igs) | Crystal structure of human Aldose Reductase complexed with NADP+ and JF0064 | Descriptor: | 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A. | Deposit date: | 2012-12-18 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design. Acta Crystallogr.,Sect.D, 70, 2014
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6V6L
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![BU of 6v6l by Molmil](/molmil-images/mine/6v6l) | Co-structure of human glycogen synthase kinase beta with 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one | Descriptor: | 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION | Authors: | Bussiere, D.E, Fang, E, Shu, W. | Deposit date: | 2019-12-05 | Release date: | 2020-01-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Discovery and optimization of novel pyridines as highly potent and selective glycogen synthase kinase 3 inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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1KIU
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![BU of 1kiu by Molmil](/molmil-images/mine/1kiu) | |
8B3K
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7U0P
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![BU of 7u0p by Molmil](/molmil-images/mine/7u0p) | SARS-Cov2 S protein structure in complex with neutralizing monoclonal antibody 002-S21F2 | 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: | Patel, A, Ortlund, E. | Deposit date: | 2022-02-18 | Release date: | 2022-08-10 | Last modified: | 2023-02-22 | Method: | ELECTRON MICROSCOPY (3.76 Å) | Cite: | Structural insights for neutralization of Omicron variants BA.1, BA.2, BA.4, and BA.5 by a broadly neutralizing SARS-CoV-2 antibody. Sci Adv, 8, 2022
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5C91
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![BU of 5c91 by Molmil](/molmil-images/mine/5c91) | NEDD4 HECT with covalently bound indole-based inhibitor | Descriptor: | E3 ubiquitin-protein ligase NEDD4, methyl (2E)-4-{[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)carbonyl]amino}but-2-enoate | Authors: | Span, I, Smith, A.T, Kathman, S, Statsyuk, A.V, Rosenzweig, A.C. | Deposit date: | 2015-06-26 | Release date: | 2015-09-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | A Small Molecule That Switches a Ubiquitin Ligase From a Processive to a Distributive Enzymatic Mechanism. J. Am. Chem. Soc., 137, 2015
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3TZ5
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![BU of 3tz5 by Molmil](/molmil-images/mine/3tz5) | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/phenylbutyrate complex with ADP | Descriptor: | 4-PHENYL-BUTANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | Deposit date: | 2011-09-27 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase. Proc.Natl.Acad.Sci.USA, 110, 2013
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8ANY
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![BU of 8any by Molmil](/molmil-images/mine/8any) | Human mitochondrial ribosome in complex with LRPPRC, SLIRP, A-site, P-site, E-site tRNAs and mRNA | Descriptor: | 1,4-DIAMINOBUTANE, 12S mitochondrial rRNA, 16S mitochondrial rRNA, ... | Authors: | Singh, V, Itoh, Y, Amunts, A. | Deposit date: | 2022-08-06 | Release date: | 2023-08-16 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.85 Å) | Cite: | Structural basis of LRPPRC-SLIRP-dependent translation by the
mitoribosome To Be Published
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4JEF
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![BU of 4jef by Molmil](/molmil-images/mine/4jef) | |
1C50
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![BU of 1c50 by Molmil](/molmil-images/mine/1c50) | IDENTIFICATION AND STRUCTURAL CHARACTERIZATION OF A NOVEL ALLOSTERIC BINDING SITE OF GLYCOGEN PHOSPHORYLASE B | Descriptor: | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-1YL)-2-OXOETHYL]AMIDE, PROTEIN (GLYCOGEN PHOSPHORYLASE), PYRIDOXAL-5'-PHOSPHATE | Authors: | Oikonomakos, N.G, Skamnaki, V.T, Tsitsanou, K.E, Gavalas, N.G, Johnson, L.N. | Deposit date: | 1999-12-15 | Release date: | 1999-12-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A new allosteric site in glycogen phosphorylase b as a target for drug interactions. Structure Fold.Des., 8, 2000
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1C8K
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![BU of 1c8k by Molmil](/molmil-images/mine/1c8k) | FLAVOPIRIDOL INHIBITS GLYCOGEN PHOSPHORYLASE BY BINDING AT THE INHIBITOR SITE | Descriptor: | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, PROTEIN (GLYCOGEN PHOSPHORYLASE), PYRIDOXAL-5'-PHOSPHATE | Authors: | Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Tsitsanou, K.E, Johnson, L.N. | Deposit date: | 2000-05-11 | Release date: | 2000-05-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site. J.Biol.Chem., 275, 2000
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7OSE
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![BU of 7ose by Molmil](/molmil-images/mine/7ose) | cytochrome bd-II type oxidase with bound aurachin D | Descriptor: | Aurachin D, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-II ubiquinol oxidase subunit 1, ... | Authors: | Grauel, A, Kaegi, J, Rasmussen, T, Wohlwend, D, Boettcher, B, Friedrich, T. | Deposit date: | 2021-06-08 | Release date: | 2021-11-17 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of Escherichia coli cytochrome bd-II type oxidase with bound aurachin D. Nat Commun, 12, 2021
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7UXR
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![BU of 7uxr by Molmil](/molmil-images/mine/7uxr) | Crystal structure of the BtTir TIR domain | Descriptor: | TIR domain protein | Authors: | Shi, Y, Masic, V, Mosaiab, T, Vasquez, E, Ve, T. | Deposit date: | 2022-05-06 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling. Science, 377, 2022
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7UXS
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![BU of 7uxs by Molmil](/molmil-images/mine/7uxs) | Crystal structure of the BcThsA SLOG domain in complex with 3'cADPR | Descriptor: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, BcThsA, GLYCEROL, ... | Authors: | Shi, Y, Masic, V, Mosaiab, T, Ve, T. | Deposit date: | 2022-05-06 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling. Science, 377, 2022
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7UXT
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![BU of 7uxt by Molmil](/molmil-images/mine/7uxt) | Crystal structure of ligand-free SeThsA | Descriptor: | GLYCEROL, TRIETHYLENE GLYCOL, USG protein | Authors: | Shi, Y, Masic, V, Mosaiab, T, Nanson, J.D, Kobe, B, Ve, T. | Deposit date: | 2022-05-06 | Release date: | 2022-09-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling. Science, 377, 2022
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3RTX
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![BU of 3rtx by Molmil](/molmil-images/mine/3rtx) | |
7RGR
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![BU of 7rgr by Molmil](/molmil-images/mine/7rgr) | Lysozyme 056 from Deep neural language modeling | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Artificial protein L056, CHLORIDE ION | Authors: | Fraser, J.S, Holton, J.M, Olmos Jr, J.L, Greene, E.R. | Deposit date: | 2021-07-15 | Release date: | 2021-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Large language models generate functional protein sequences across diverse families. Nat.Biotechnol., 2023
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6W50
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![BU of 6w50 by Molmil](/molmil-images/mine/6w50) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2020-03-12 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species. J.Med.Chem., 63, 2020
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6SL1
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![BU of 6sl1 by Molmil](/molmil-images/mine/6sl1) | Structure of the open conformation of CtTel1 | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Tel1 | Authors: | Jansma, M, Eustermann, S.E, Kostrewa, D, Lammens, K, Hopfner, K.P. | Deposit date: | 2019-08-16 | Release date: | 2019-10-30 | Last modified: | 2020-05-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Near-Complete Structure and Model of Tel1ATM from Chaetomium thermophilum Reveals a Robust Autoinhibited ATP State. Structure, 28, 2020
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