5EXK
| Crystal structure of M. tuberculosis lipoyl synthase with 6-thiooctanoyl peptide intermediate | Descriptor: | 5'-DEOXYADENOSINE, CHLORIDE ION, FE3-S4 CLUSTER, ... | Authors: | McLaughlin, M.I, Lanz, N.D, Goldman, P.J, Lee, K.-H, Booker, S.J, Drennan, C.L. | Deposit date: | 2015-11-23 | Release date: | 2016-08-10 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystallographic snapshots of sulfur insertion by lipoyl synthase. Proc.Natl.Acad.Sci.USA, 113, 2016
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7LGQ
| Cyanophycin synthetase 1 from Synechocystis sp. UTEX2470 with ATP and 8x(Asp-Arg)-Asn | Descriptor: | 8x(Asp-Arg)-Asn, ADENOSINE-5'-TRIPHOSPHATE, Cyanophycin synthase, ... | Authors: | Sharon, I, Grogg, M, Hilvert, D, Schmeing, T.M. | Deposit date: | 2021-01-20 | Release date: | 2021-08-18 | Last modified: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structures and function of the amino acid polymerase cyanophycin synthetase. Nat.Chem.Biol., 17, 2021
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6HCO
| Cryo-EM structure of the ABCG2 E211Q mutant bound to estrone 3-sulfate and 5D3-Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3-Fab heavy chain, 5D3-Fab light chain, ... | Authors: | Manolaridis, I, Jackson, S.M, Taylor, N.M.I, Kowal, J, Stahlberg, H, Locher, K.P. | Deposit date: | 2018-08-15 | Release date: | 2018-11-07 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Cryo-EM structures of a human ABCG2 mutant trapped in ATP-bound and substrate-bound states. Nature, 563, 2018
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1TYJ
| Crystal Structure Analysis of type II Cohesin A11 from Bacteroides cellulosolvens | Descriptor: | 1,2-ETHANEDIOL, METHANOL, cellulosomal scaffoldin | Authors: | Noach, I, Frolow, F, Jakoby, H, Rosenheck, S, Shimon, L.J.W, Lamed, R, Bayer, E.A. | Deposit date: | 2004-07-08 | Release date: | 2005-04-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of a type-II cohesin module from the Bacteroides cellulosolvens cellulosome reveals novel and distinctive secondary structural elements J.Mol.Biol., 348, 2005
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2LFP
| Structure of bacteriophage SPP1 gp17 protein | Descriptor: | Bacteriophage SPP1 complete nucleotide sequence | Authors: | Chagot, B, Auzat, I, Gallopin, M, Petitpas, I, Gilquin, B, Tavares, P, Zinn-Justin, S. | Deposit date: | 2011-07-07 | Release date: | 2011-09-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of gp17 from the Siphoviridae bacteriophage SPP1: Insights into its role in virion assembly. Proteins, 80, 2012
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3GXE
| Complex of a Low Affinity Collagen Site with the Fibronectin 8-9FnI Domain Pair | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Collagen alpha-1(I) chain, Fibronectin, ... | Authors: | Sladek, B, Campbell, I.D, Vakonakis, I. | Deposit date: | 2009-04-02 | Release date: | 2010-04-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural analysis of collagen type I interactions with human fibronectin reveals a cooperative binding mode J.Biol.Chem., 288, 2013
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7TO5
| HIV-1 wild type protease with GRL-05816A, with C-4 substituted cyclohexane-fused bis-tetrahydrofuran (Chf-THF) derivatives as P2-ligand [diastereomer 1] | Descriptor: | (1R,3aS,4S,6S,7aR)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, FORMIC ACID, ... | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | Deposit date: | 2022-01-23 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Design, Synthesis and X-Ray Structural Studies of Potent HIV-1 Protease Inhibitors Containing C-4 Substituted Tricyclic Hexahydro-Furofuran Derivatives as P2 Ligands. Chemmedchem, 17, 2022
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7TO6
| HIV-1 wild type protease with GRL-01717A, with C-4 substituted cyclohexane-fused bis-tetrahydrofuran (Chf-THF) derivatives as P2-ligand [diastereomer 2] | Descriptor: | (1S,3aR,4R,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-4-yl [(2S,3R)-4-{[2-(cyclopropylamino)-1,3-benzothiazole-6-sulfonyl](2-methylpropyl)amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | Deposit date: | 2022-01-23 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Design, Synthesis and X-Ray Structural Studies of Potent HIV-1 Protease Inhibitors Containing C-4 Substituted Tricyclic Hexahydro-Furofuran Derivatives as P2 Ligands. Chemmedchem, 17, 2022
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7QX1
| ATAD2 in complex with FragLite7 | Descriptor: | 1,2-ETHANEDIOL, 4-iodanyl-3~{H}-pyridin-2-one, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-01-26 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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6U4O
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1BYN
| SOLUTION STRUCTURE OF THE CALCIUM-BOUND FIRST C2-DOMAIN OF SYNAPTOTAGMIN I | Descriptor: | CALCIUM ION, PROTEIN (SYNAPTOTAGMIN I) | Authors: | Shao, X, Fernandez, I, Sudhof, T.C, Rizo, J. | Deposit date: | 1998-10-18 | Release date: | 1998-10-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structures of the Ca2+-free and Ca2+-bound C2A domain of synaptotagmin I: does Ca2+ induce a conformational change? Biochemistry, 37, 1998
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6HCV
| Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with a chromone ligand | Descriptor: | 6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide, Lysine--tRNA ligase | Authors: | Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | Deposit date: | 2018-08-16 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc.Natl.Acad.Sci.USA, 116, 2019
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7LEO
| C1B domain of Protein kinase C in complex with diacylglycerol-lactone (AJH-836) and 1,2-diheptanoyl-sn-glycero-3-phosphocholine | Descriptor: | (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide, Protein kinase C delta type, ZINC ION, ... | Authors: | Katti, S.S, Krieger, I. | Deposit date: | 2021-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists. Nat Commun, 13, 2022
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7QU6
| Crystal structure of the N-terminal domain of Siglec-8 | Descriptor: | Sialic acid-binding Ig-like lectin 8 | Authors: | Lenza, M.P, Atxabal, U, Nycholat, C.M, Oyenarte, I, Paulson, J.C, Franconetti, A, Quintana, J.I, Unione, L, Delgado, S, Jimenez-Barbero, J, Ereno-Orbea, J. | Deposit date: | 2022-01-17 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody. Jacs Au, 3, 2023
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7QUM
| ATAD2 in complex with FragLite2 | Descriptor: | 1,2-ETHANEDIOL, 4-IODOPYRAZOLE, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-01-18 | Release date: | 2023-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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7QPB
| Catalytic C-lobe of the HECT-type ubiquitin ligase E6AP in complex with a hybrid foldamer-peptide macrocycle | Descriptor: | Isoform I of Ubiquitin-protein ligase E3A, hybrid foldamer-peptide macrocycle | Authors: | Dengler, S, Howard, R.T, Morozov, V, Tsiamantas, C, Douat, C, Suga, H, Huc, I. | Deposit date: | 2022-01-03 | Release date: | 2023-09-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.342 Å) | Cite: | Display Selection of a Hybrid Foldamer-Peptide Macrocycle. Angew.Chem.Int.Ed.Engl., 62, 2023
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2LFT
| Human prion protein with E219K protective polymorphism | Descriptor: | Major prion protein | Authors: | Biljan, I, Ilc, G, Giacin, G, Zhukov, I, Plavec, J, Legname, G. | Deposit date: | 2011-07-14 | Release date: | 2012-06-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structural basis for the protective effect of the human prion protein carrying the dominant-negative E219K polymorphism. Biochem.J., 446, 2012
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2LSB
| Solution-state NMR structure of the human prion protein | Descriptor: | Major prion protein | Authors: | Biljan, I, Ilc, G, Giancin, G, Zhukov, I, Plavec, J, Legname, G. | Deposit date: | 2012-04-26 | Release date: | 2012-06-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structural basis for the protective effect of the human prion protein carrying the dominant-negative E219K polymorphism. Biochem.J., 446, 2012
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8QLR
| Human MST3 (STK24) kinase in complex with inhibitor MR24 | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | Authors: | Balourdas, D.I, Rak, M, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-09-20 | Release date: | 2023-11-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Development of Selective Pyrido[2,3- d ]pyrimidin-7(8 H )-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors. J.Med.Chem., 67, 2024
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8QLS
| Human MST3 (STK24) kinase in complex with inhibitor MR26 | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | Authors: | Balourdas, D.I, Rak, M, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-09-20 | Release date: | 2023-11-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Development of Selective Pyrido[2,3- d ]pyrimidin-7(8 H )-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors. J.Med.Chem., 67, 2024
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1DLF
| HIGH RESOLUTION CRYSTAL STRUCTURE OF THE FV FRAGMENT FROM AN ANTI-DANSYL SWITCH VARIANT ANTIBODY IGG2A(S) CRYSTALLIZED AT PH 5.25 | Descriptor: | ANTI-DANSYL IMMUNOGLOBULIN IGG2A(S), SULFATE ION | Authors: | Nakasako, M, Takahashi, H, Shimada, I, Arata, Y. | Deposit date: | 1998-07-14 | Release date: | 1999-07-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The pH-dependent structural variation of complementarity-determining region H3 in the crystal structures of the Fv fragment from an anti-dansyl monoclonal antibody. J.Mol.Biol., 291, 1999
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8B1N
| Crystal structure of TrmD-Tm1570 from Calditerrivibrio nitroreducens in complex with S-adenosyl-L-methionine | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Kluza, A, Lewandowska, I, Augustyniak, R, Sulkowska, J. | Deposit date: | 2022-09-10 | Release date: | 2022-09-28 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Are there double knots in proteins? Prediction and in vitro verification based on TrmD-Tm1570 fusion from C. nitroreducens. Front Mol Biosci, 10, 2023
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2MNF
| AIK-18/51 DNA recognition sequence d(CGACTAGTCG)2 | Descriptor: | 5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3' | Authors: | Alniss, H.Y, Salvia, M.-V, Sadikov, M, Golovchenko, I, Anthony, N.G, Khalaf, A.I, Mackay, S.P, Suckling, C.J, Parkinson, J.A. | Deposit date: | 2014-04-03 | Release date: | 2014-07-30 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Recognition of the DNA minor groove by thiazotropsin analogues. Chembiochem, 15, 2014
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6RH9
| Crystal Structure of Two-Domain Laccase mutant I170F from Streptomyces griseoflavus | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ... | Authors: | Gabdulkhakov, A.G, Tishchenko, T.V, Kolyadenko, I.A. | Deposit date: | 2019-04-19 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase fromStreptomyces griseoflavusAc-993. Int J Mol Sci, 20, 2019
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7TRP
| Human M4 muscarinic acetylcholine receptor complex with Gi1 and the agonist iperoxo and positive allosteric modulator LY2033298 | Descriptor: | 3-amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Antibody fragment scFv16, ... | Authors: | Vuckovic, Z, Mobbs, J.I, Belousoff, M.J, Glukhova, A, Sexton, P.M, Danev, R, Thal, D.M. | Deposit date: | 2022-01-30 | Release date: | 2023-05-17 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structural and dynamic mechanisms of allostery at the M4 muscarinic acetylcholine receptor Elife, 2023
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