PDB: 224004 resultsInfo pagesStatus searchChemie searchBIRD

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7N0V	Complex of recombinant Bet v 1 with Fab fragment of REGN5715 Descriptor: Major pollen allergen Bet v 1-A, REGN5715 Fab heavy chain, REGN5715 Fab light chain Authors: Franklin, M.C, Romero Hernandez, A. Deposit date: 2021-05-26 Release date: 2021-08-11 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (3.71 Å) Cite: Targeting immunodominant Bet v 1 epitopes with monoclonal antibodies prevents the birch allergic response. J.Allergy Clin.Immunol., 149, 2022
6XPX	Human antibody S1V2-51 in complex with the influenza hemagglutinin head domain of A/Aichi/2/1968 (X-31)(H3N2) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BICINE, GLYCEROL, ... Authors: McCarthy, K.R, Harrison, S.C. Deposit date: 2020-07-09 Release date: 2021-05-19 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.598 Å) Cite: A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface. Mbio, 12, 2021
6XPY	Human antibody S1V2-58 in complex with the influenza hemagglutinin head domain of A/Texas/50/2012(H3N2) Descriptor: Fab heavy chain, Fab light chain, Hemagglutinin, ... Authors: McCarthy, K.R, Harrison, S.C. Deposit date: 2020-07-09 Release date: 2021-05-19 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (3.603 Å) Cite: A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface. Mbio, 12, 2021
4YS2	RCK domain with CDA Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Na+/H+ antiporter-like protein Authors: Chin, K.H, Chou, S.H. Deposit date: 2015-03-16 Release date: 2016-04-27 Last modified: 2020-02-05 Method: X-RAY DIFFRACTION (1.968 Å) Cite: RCK domain with CDA To Be Published
7MYH	Ubiquitin variant UbV.k.2 in complex with Ube2k Descriptor: GLYCEROL, Ubiquitin variant UbV.k.2, Ubiquitin-conjugating enzyme E2 K Authors: Middleton, A.J, Day, C.L, Teyra, J, Sidhu, S.S. Deposit date: 2021-05-21 Release date: 2021-08-25 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.394 Å) Cite: Identification of Ubiquitin Variants That Inhibit the E2 Ubiquitin Conjugating Enzyme, Ube2k. Acs Chem.Biol., 16, 2021
6XKD	Structure of ligand-bound mouse cGAMP hydrolase ENPP1 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... Authors: Fernandez, D, Li, L. Deposit date: 2020-06-26 Release date: 2021-06-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Structure-Aided Development of Small-Molecule Inhibitors of ENPP1, the Extracellular Phosphodiesterase of the Immunotransmitter cGAMP. Cell Chem Biol, 27, 2020
4YTW	Crystal structure of Ups1-Mdm35 complex Descriptor: Mitochondrial distribution and morphology protein 35, Protein UPS1, mitochondrial Authors: Watanabe, Y, Tamura, Y, Kawano, S, Endo, T. Deposit date: 2015-03-18 Release date: 2015-08-12 Last modified: 2020-02-05 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Structural and mechanistic insights into phospholipid transfer by Ups1-Mdm35 in mitochondria. Nat Commun, 6, 2015
1A47	CGTASE FROM THERMOANAEROBACTERIUM THERMOSULFURIGENES EM1 IN COMPLEX WITH A MALTOHEXAOSE INHIBITOR Descriptor: 1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-5-ENE, CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, ... Authors: Uitdehaag, J.C.M, Kalk, K.H, Rozeboom, H.J, Dijkstra, B.W. Deposit date: 1998-02-11 Release date: 1998-06-17 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.56 Å) Cite: Engineering of cyclodextrin product specificity and pH optima of the thermostable cyclodextrin glycosyltransferase from Thermoanaerobacterium thermosulfurigenes EM1. J.Biol.Chem., 273, 1998
4YTC	Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease Descriptor: N~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1H-1,2,4-triazole-3,5-diamine, Tyrosine-protein kinase JAK2 Authors: Zuccola, H.J, Ledeboer, M. Deposit date: 2015-03-17 Release date: 2015-08-12 Last modified: 2015-10-07 Method: X-RAY DIFFRACTION (2.16 Å) Cite: Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases. J.Med.Chem., 58, 2015
4YTH	Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases Descriptor: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)-D-alaninamide, Tyrosine-protein kinase JAK2 Authors: Ledeboer, M.W, Zuccola, H.J. Deposit date: 2015-03-17 Release date: 2015-08-12 Last modified: 2016-07-20 Method: X-RAY DIFFRACTION (2.04 Å) Cite: Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases. J.Med.Chem., 58, 2015
4YTO	Structure of coiled-coil domain of SYCP1 Descriptor: GLYCEROL, Synaptonemal complex protein 1 Authors: park, H.H. Deposit date: 2015-03-18 Release date: 2016-03-23 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure of coiled-coil domain of SYCP1 To Be Published
1AJ5	CALPAIN DOMAIN VI APO Descriptor: CALPAIN Authors: Cygler, M, Grochulski, P, Blanchard, H. Deposit date: 1997-05-15 Release date: 1998-05-20 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure of a calpain Ca(2+)-binding domain reveals a novel EF-hand and Ca(2+)-induced conformational changes. Nat.Struct.Biol., 4, 1997
6WPO	NMR Structure of HSP-4 antimicrobial peptide in presence of DPC-d38 micelles Descriptor: Hylaseptin-4 Authors: Verly, R.M, Nunes, L.O. Deposit date: 2020-04-27 Release date: 2021-03-17 Method: SOLUTION NMR Cite: High-resolution structural profile of hylaseptin-4: Aggregation, membrane topology and pH dependence of overall membrane binding process. Biochim Biophys Acta Biomembr, 1863, 2021
4YZS	Crystal structures reveal transient PERK luminal domain tetramerization in ER stress signaling Descriptor: Eukaryotic translation initiation factor 2-alpha kinase 3, TUNGSTEN ION Authors: Carrara, M, Prischi, F, Ali, M.M.U. Deposit date: 2015-03-25 Release date: 2015-05-13 Last modified: 2017-09-13 Method: X-RAY DIFFRACTION (3.14 Å) Cite: Crystal structures reveal transient PERK luminal domain tetramerization in endoplasmic reticulum stress signaling. Embo J., 34, 2015
4YZO	Crystal Structure Analysis of Thiolase-like protein, ST0096 from Sulfolobus Tokodaii Descriptor: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... Authors: Padmanabhan, B, Manjula, R, Yokoyama, S, Bessho, Y. Deposit date: 2015-03-25 Release date: 2016-03-30 Last modified: 2020-02-19 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal Structure Analysis of Thiolase-like protein, ST0096 from Sulfolobus Tokodaii To Be Published
6WE7	HIV Integrase core domain in complex with inhibitor 3-methyl-2-{5-methyl-2-[2-(thiophen-2-yl)ethynyl]-1- benzofuran-3-yl}butanoic acid Descriptor: (2S)-3-methyl-2-{5-methyl-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}butanoic acid, IODIDE ION, Integrase, ... Authors: Gorman, M.A, Parker, M.W. Deposit date: 2020-04-01 Release date: 2021-04-07 Method: X-RAY DIFFRACTION (2.28 Å) Cite: HIV Integrase core domain in complex with inhibitor To Be Published
7N4N	BACE-2 in complex with ligand 36 Descriptor: 1,2-ETHANEDIOL, Beta-secretase 2, N-{3-[(2S,5R)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide, ... Authors: Shaffer, P.L. Deposit date: 2021-06-04 Release date: 2021-10-06 Last modified: 2021-10-27 Method: X-RAY DIFFRACTION (1.41 Å) Cite: JNJ-67569762, A 2-Aminotetrahydropyridine-Based Selective BACE1 Inhibitor Targeting the S3 Pocket: From Discovery to Clinical Candidate. J.Med.Chem., 64, 2021
4Z1H	Crystal structure of human Trap1 with SMTIN-P01 Descriptor: 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[6-(triphenyl-lambda~5~-phosphanyl)hexyl]-9H-purin-6-amine, Heat shock protein 75 kDa, mitochondrial Authors: Lee, C, Park, H.K, Ryu, J.H, Kang, B.H. Deposit date: 2015-03-27 Release date: 2015-04-22 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Development of a Mitochondria-Targeted Hsp90 Inhibitor Based on the Crystal Structures of Human TRAP1 J.Am.Chem.Soc., 137, 2015
4YZI	Crystal structure of blue-shifted channelrhodopsin mutant (T198G/G202A) Descriptor: OLEIC ACID, RETINAL, Sensory opsin A,Archaeal-type opsin 2, ... Authors: Kato, H.E, Kamiya, M, Ishitani, R, Hayashi, S, Nureki, O. Deposit date: 2015-03-25 Release date: 2015-05-27 Last modified: 2020-02-19 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Atomistic design of microbial opsin-based blue-shifted optogenetics tools. Nat Commun, 6, 2015
8S9B	Cryo-EM structure of Nav1.7 with LCM Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Fan, X, Huang, J, Yan, N. Deposit date: 2023-03-27 Release date: 2023-08-30 Method: ELECTRON MICROSCOPY (2.9 Å) Cite: Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
4Z05	C. bescii Family 3 pectate lyase mutant E84A Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... Authors: Alahuhta, P.M, Lunin, V.V. Deposit date: 2015-03-25 Release date: 2015-12-23 Last modified: 2019-12-04 Method: X-RAY DIFFRACTION (1.5 Å) Cite: The catalytic mechanism and unique low pH optimum of Caldicellulosiruptor bescii family 3 pectate lyase. Acta Crystallogr.,Sect.D, 71, 2015
4Z3U	PRV nuclear egress complex Descriptor: CHLORIDE ION, SODIUM ION, UL31, ... Authors: Bigalke, J.M, Heldwein, E.E. Deposit date: 2015-03-31 Release date: 2015-11-11 Last modified: 2019-12-11 Method: X-RAY DIFFRACTION (2.706 Å) Cite: Structural basis of membrane budding by the nuclear egress complex of herpesviruses. Embo J., 34, 2015
8S9C	Cryo-EM structure of Nav1.7 with CBZ Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Fan, X, Huang, J, Yan, N. Deposit date: 2023-03-27 Release date: 2023-08-30 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
6WUX	NMR soltution structure of homotarsinin homodimer - Htr Descriptor: Homotarsinin Authors: Verly, R.M. Deposit date: 2020-05-05 Release date: 2021-05-05 Method: SOLUTION NMR Cite: Structure and membrane interactions of the homodimeric antibiotic peptide homotarsinin. Sci Rep, 7, 2017
4ZAM	Crystal structure of SHV-1 beta-lactamase bound to avibactam Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE Authors: Krishnan, N, van den Akker, F. Deposit date: 2015-04-13 Release date: 2016-01-27 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Inhibition of Klebsiella beta-Lactamases (SHV-1 and KPC-2) by Avibactam: A Structural Study. Plos One, 10, 2015

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