PDB: 98078 resultsInfo pagesStatus searchChemie searchBIRD

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8P2R	Human Aldose Reductase Mutant A299G/L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) Descriptor: 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, CITRIC ACID, ... Authors: Klee, L.-S, Heine, A, Klebe, G. Deposit date: 2023-05-16 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Human Aldose Reductase Mutant A299G/L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) To Be Published
4I15	Crystal structure of TbrPDEB1 Descriptor: Class 1 phosphodiesterase PDEB1, MAGNESIUM ION, ZINC ION Authors: Wang, H, Ke, H. Deposit date: 2012-11-20 Release date: 2013-03-13 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Discovery of Novel Trypanosoma brucei Phosphodiesterase B1 Inhibitors by Virtual Screening against the Unliganded TbrPDEB1 Crystal Structure. J.Med.Chem., 56, 2013
2KRE	Solution structure of E4B/UFD2A U-Box domain Descriptor: Ubiquitin conjugation factor E4 B Authors: Nomine, Y, Wasielewski, E, Botuyan, M, Mer, G. Deposit date: 2009-12-16 Release date: 2009-12-29 Last modified: 2024-05-01 Method: SOLUTION NMR Cite: Molecular Basis for the Association of Human E4B U Box Ubiquitin Ligase with E2-Conjugating Enzymes UbcH5c and Ubc4. Structure, 18, 2010
7PTL	Mature conformer of a 6-helix bundle of RNA with clasp Descriptor: Chains: B Authors: McRae, E.K.S, Andersen, E.S. Deposit date: 2021-09-27 Release date: 2022-10-05 Last modified: 2024-07-17 Method: ELECTRON MICROSCOPY (4.9 Å) Cite: Structure, folding and flexibility of co-transcriptional RNA origami. Nat Nanotechnol, 18, 2023
7PTK	Young conformer of a 6-helix bundle of RNA with clasp Descriptor: RNA Authors: McRae, E.K.S, Andersen, E.S. Deposit date: 2021-09-27 Release date: 2022-10-05 Last modified: 2024-07-17 Method: ELECTRON MICROSCOPY (5.18 Å) Cite: Structure, folding and flexibility of co-transcriptional RNA origami. Nat Nanotechnol, 18, 2023
4I7M	T4 Lysozyme L99A/M102H with 2-allylphenol bound Descriptor: 2-ALLYLPHENOL, 2-HYDROXYETHYL DISULFIDE, ACETATE ION, ... Authors: Merski, M, Shoichet, B.K. Deposit date: 2012-11-30 Release date: 2013-03-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.48 Å) Cite: The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
4I7N	T4 Lysozyme L99A/M102H with 1-phenyl-2-propyn-1-ol bound Descriptor: (1R)-1-phenylprop-2-yn-1-ol, 2-HYDROXYETHYL DISULFIDE, ACETATE ION, ... Authors: Merski, M, Shoichet, B.K. Deposit date: 2012-11-30 Release date: 2013-03-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.58 Å) Cite: The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
1GUN	MopII from Clostridium pasteurianum complexed with molybdate (partial) Descriptor: CALCIUM ION, MOLYBDATE BINDING PROTEIN II, MOLYBDATE ION Authors: Schuettelkopf, A.W, Harrison, J.A, Hunter, W.N. Deposit date: 2002-01-28 Release date: 2002-02-08 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Passive Acquisition of Ligand by the Mopii Molbindin from Clostridium Pasteurianum: Structures of Apo and Oxyanion-Bound Forms J.Biol.Chem., 277, 2002
5V7V	Cryo-EM structure of ERAD-associated E3 ubiquitin-protein ligase component HRD3 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ERAD-associated E3 ubiquitin-protein ligase component HRD3, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose Authors: Mi, W, Schoebel, S, Stein, A, Rapoport, T.A, Liao, M. Deposit date: 2017-03-20 Release date: 2017-08-16 Last modified: 2025-06-04 Method: ELECTRON MICROSCOPY (3.9 Å) Cite: Cryo-EM structure of the protein-conducting ERAD channel Hrd1 in complex with Hrd3. Nature, 548, 2017
4I7P	T4 Lysozyme L99A/M102H with 4-bromoimidazole bound Descriptor: 2-HYDROXYETHYL DISULFIDE, 4-bromo-1H-imidazole, ACETATE ION, ... Authors: Merski, M, Shoichet, B.K. Deposit date: 2012-11-30 Release date: 2013-03-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.6 Å) Cite: The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
6XPA	ScoE with oxovanadium and the CABA substrate bound and His299 and Arg157 flipped out Descriptor: (3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid, ACETATE ION, CHLORIDE ION, ... Authors: Jonnalagadda, R, Drennan, C.L. Deposit date: 2020-07-08 Release date: 2021-01-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Biochemical and crystallographic investigations into isonitrile formation by a nonheme iron-dependent oxidase/decarboxylase. J.Biol.Chem., 296, 2021
3A42	Crystal structure of MvNei1 Descriptor: Formamidopyrimidine-DNA glycosylase, GLYCEROL, SULFATE ION Authors: Imamura, K, Wallace, S, Doublie, S. Deposit date: 2009-06-30 Release date: 2009-07-21 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structural Characterization of a Viral NEIL1 Ortholog Unliganded and Bound to Abasic Site-containing DNA J.Biol.Chem., 284, 2009
4I7K	T4 Lysozyme L99A/M102H with toluene bound Descriptor: 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ... Authors: Merski, M, Shoichet, B.K. Deposit date: 2012-11-30 Release date: 2013-03-27 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.72 Å) Cite: The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
8GEX	Crystal structure of the ferric enterobactin transporter (XusB) from Bacteroides thetaiotaomicron Descriptor: DUF4374 domain-containing protein Authors: Perera, Y.R, Chazin, W.J. Deposit date: 2023-03-07 Release date: 2023-08-02 Last modified: 2024-08-14 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Iron acquisition by a commensal bacterium modifies host nutritional immunity during Salmonella infection. Cell Host Microbe, 31, 2023
3A45	Crystal structure of MvNei1_2 Descriptor: Formamidopyrimidine-DNA glycosylase, POTASSIUM ION Authors: Imamura, K, Wallace, S, Doublie, S. Deposit date: 2009-06-30 Release date: 2009-07-21 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural Characterization of a Viral NEIL1 Ortholog Unliganded and Bound to Abasic Site-containing DNA J.Biol.Chem., 284, 2009
8SKL	PTP1B in complex with 182 Descriptor: 1,2-ETHANEDIOL, 5-[1-fluoro-3-hydroxy-7-(3-hydroxy-3-methylbutoxy)naphthalen-2-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione, CHLORIDE ION, ... Authors: Kershaw, N.J, Babon, J.J, Chen, H, Tiganis, T. Deposit date: 2023-04-20 Release date: 2023-08-02 Last modified: 2024-12-04 Method: X-RAY DIFFRACTION (1.55 Å) Cite: A small molecule inhibitor of PTP1B and PTPN2 enhances T cell anti-tumor immunity. Nat Commun, 14, 2023
8FU3	Structure Of Respiratory Syncytial Virus Polymerase with Novel Non-Nucleoside Inhibitor Descriptor: 8-methoxy-3-methyl-N-{(2S)-3,3,3-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-hydroxypropyl}cinnoline-6-carboxamide, Phosphoprotein, RNA-directed RNA polymerase L Authors: Yu, X, Abeywickrema, P, Bonneux, B, Behera, I, Jacoby, E, Fung, A, Adhikary, S, Bhaumik, A, Carbajo, R.J, Bruyn, S.D, Miller, R, Patrick, A, Pham, Q, Piassek, M, Verheyen, N, Shareef, A, Sutto-Ortiz, P, Ysebaert, N, Vlijmen, H.V, Jonckers, T.H.M, Herschke, F, McLellan, J.S, Decroly, E, Fearns, R, Grosse, S, Roymans, D, Sharma, S, Rigaux, P, Jin, Z. Deposit date: 2023-01-16 Release date: 2023-11-01 Method: ELECTRON MICROSCOPY (2.88 Å) Cite: Structural and mechanistic insights into the inhibition of respiratory syncytial virus polymerase by a non-nucleoside inhibitor. Commun Biol, 6, 2023
1WMU	Crystal Structure of Hemoglobin D from the Aldabra Giant Tortoise, Geochelone gigantea, at 1.65 A resolution Descriptor: Hemoglobin A and D beta chain, Hemoglobin D alpha chain, PROTOPORPHYRIN IX CONTAINING FE Authors: Kuwada, T, Hasegawa, T, Satoh, I, Ishikawa, K, Shishikura, F. Deposit date: 2004-07-21 Release date: 2004-08-03 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Crystal Structure of Hemoglobin D from the Aldabra Giant Tortoise, Geochelone gigantea, at 1.65 A resolution To be Published
2XEU	Ring domain Descriptor: RING FINGER PROTEIN 4, SULFATE ION, ZINC ION, ... Authors: Plechanovova, A, McMahon, S.A, Johnson, K.A, Navratilova, I, Naismith, J.H, Hay, R.T. Deposit date: 2010-05-18 Release date: 2010-07-28 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Mechanism of Ubiquitylation by Dimeric Ring Ligase Rnf4 Nat.Struct.Mol.Biol., 18, 2011
8SKQ	RNA oligonucleotide containing an alpha-(L)-threofuranosyl nucleic acid (TNA) Descriptor: TNA-containing RNA oligonucleotide Authors: Harp, J.M, Egli, M. Deposit date: 2023-04-20 Release date: 2024-02-14 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Shorter Is Better: The alpha-(l)-Threofuranosyl Nucleic Acid Modification Improves Stability, Potency, Safety, and Ago2 Binding and Mitigates Off-Target Effects of Small Interfering RNAs. J.Am.Chem.Soc., 145, 2023
8H2I	Near-atomic structure of five-fold averaged PBCV-1 capsid Descriptor: MCPv1, MCPv2, MCPv3, ... Authors: Shao, Q, Agarkova, I.V, Noel, E.A, Dunigan, D.D, Liu, Y, Wang, A, Guo, M, Xie, L, Zhao, X, Rossmann, M.G, Van Etten, J.L, Klose, T, Fang, Q. Deposit date: 2022-10-06 Release date: 2022-11-16 Last modified: 2023-09-06 Method: ELECTRON MICROSCOPY (3.8 Å) Cite: Near-atomic, non-icosahedrally averaged structure of giant virus Paramecium bursaria chlorella virus 1. Nat Commun, 13, 2022
4IQ2	P21 crystal form of FKBP12.6 Descriptor: MALONIC ACID, Peptidyl-prolyl cis-trans isomerase FKBP1B Authors: Chen, H, Mustafi, S.M, Li, H.M, LeMaster, D.M, Hernandez, G. Deposit date: 2013-01-10 Release date: 2014-01-15 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal structure and conformational flexibility of the unligated FK506-binding protein FKBP12.6. Acta Crystallogr.,Sect.D, 70, 2014
2ERB	AgamOBP1, and odorant binding protein from Anopheles gambiae complexed with PEG Descriptor: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, MAGNESIUM ION, odorant binding protein Authors: Wogulis, M, Morgan, T, Ishida, Y, Leal, W.S, Wilson, D.K. Deposit date: 2005-10-24 Release date: 2005-12-13 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.5 Å) Cite: The crystal structure of an odorant binding protein from Anopheles gambiae: Evidence for a common ligand release mechanism. Biochem.Biophys.Res.Commun., 339, 2006
6XOJ	ScoE with the CABA substrate bound and alpha-ketoglutarate in an off-site Descriptor: (3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic acid, 2-OXOGLUTARIC ACID, ACETATE ION, ... Authors: Jonnalagadda, R, Drennan, C.L. Deposit date: 2020-07-07 Release date: 2021-01-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Biochemical and crystallographic investigations into isonitrile formation by a nonheme iron-dependent oxidase/decarboxylase. J.Biol.Chem., 296, 2021
1GYK	Serum Amyloid P Component co-crystallised with MOBDG at neutral pH Descriptor: CALCIUM ION, METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-BETA-D-GALACTOPYRANOSIDE, SERUM AMYLOID P-COMPONENT Authors: Thompson, D, Pepys, M.B, Tickle, I, Wood, S.P. Deposit date: 2002-04-25 Release date: 2003-05-22 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The Structures of Crystalline Complexes of Human Serum Amyloid P Component with its Carbohydrate Ligand, the Cyclic Pyruvate Acetal of Galactose J.Mol.Biol., 320, 2002

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