Firecrawl Alexandria

RCSB Protein Data Bank

Experimentally determined 3D structures of proteins, nucleic acids and their complexes from the RCSB Protein Data Bank (wwPDB archive, CC0): search by text, organism, experimental method, resolution, release date, UniProt accession or bound ligand; full entry records with polymer entities, organisms, UniProt mappings, ligands, glycans, primary citation and coordinate download links; and Chemical Component Dictionary records for ligands with identifiers and cross-references (ChEMBL, DrugBank, PubChem, ChEBI). Uses the keyless RCSB Search and Data APIs.

Try RCSB Protein Data Bank now.

Choose an example or ask your own question.

RCSB Protein Data Bank
TRY ASKING
1Request
string

Combined experimental method label.

string

Structures containing this Chemical Component Dictionary id as a non-polymer ligand, e.g. `STI` (imatinib), `HEM`, `ATP`. Look ids up with the `ligand` function.

number

limit

string

Full-text search over titles, descriptions, keywords, organisms, ligand names, citations and annotations, e.g. `imatinib`, `spike glycoprotein`, `CRISPR Cas9`.

string

Structures with a polymer entity mapped to this UniProtKB accession (SIFTS/RCSB reference sequence mapping), e.g. `P69905` for human hemoglobin alpha.

5 credits
Codefollows the fields above
const result = await firecrawl.scrape({
  alexandria: {
    provider: "rcsb-org",
    capability: "structures/search",
    options: {
      limit: 25,
      query: "imatinib",
      uniprot_accession: "P00519",
    },
  },
});
2Response example

This is a sample shape. Press Run to see live data from RCSB Protein Data Bank.

{
  "license": "CC0-1.0",
  "limit": 25,
  "next_offset": null,
  "observed_at_ms": 1792447131657,
  "offset": 0,
  "results": [
    {
      "experimental_method": "X-ray",
      "initial_release_date": "2022-04-27",
      "organisms": [
        "Homo sapiens"
      ],
      "pdb_id": "7N9G",
      "resolution_angstrom": 2.2,
      "score": 0.7971516267184301,
      "title": "Crystal structure of the Abl 1b Kinase domain in complex with Dasatinib and Imatinib",
      "uniprot_accessions": [
        "P00519"
      ],
      "url": "https://www.rcsb.org/structure/7N9G"
    },
    {
      "experimental_method": "X-ray",
      "initial_release_date": "2007-01-16",
      "organisms": [
        "Homo sapiens"
      ],
      "pdb_id": "2HYY",
      "resolution_angstrom": 2.4,
      "score": 0.7550836593244821,
      "title": "Human Abl kinase domain in complex with imatinib (STI571, Glivec)",
      "uniprot_accessions": [
        "P00519"
      ],
      "url": "https://www.rcsb.org/structure/2HYY"
    },
    {
      "experimental_method": "X-ray",
      "initial_release_date": "2011-03-09",
      "organisms": [
        "Homo sapiens"
      ],
      "pdb_id": "3PYY",
      "resolution_angstrom": 1.85,
      "score": 0.7291328351654636,
      "title": "Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site",
      "uniprot_accessions": [
        "P00519"
      ],
      "url": "https://www.rcsb.org/structure/3PYY"
    },
    {
      "experimental_method": "X-ray",
      "initial_release_date": "2019-03-13",
      "organisms": [
        "Homo sapiens"
      ],
      "pdb_id": "6NPE",
      "resolution_angstrom": 2.15,
      "score": 0.7291328351654636,
      "title": "C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide",
      "uniprot_accessions": [
        "P00519"
      ],
      "url": "https://www.rcsb.org/structure/6NPE"
    },
    {
      "experimental_method": "X-ray",
      "initial_release_date": "2019-03-13",
      "organisms": [
        "Homo sapiens"
      ],
      "pdb_id": "6NPU",
      "resolution_angstrom": 2.33,
      "score": 0.7291328351654636,
      "title": "C-abl Kinase domain with the activator(cmpd29), N-(1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)acetamide",
      "uniprot_accessions": [
        "P00519"
      ],
      "url": "https://www.rcsb.org/structure/6NPU"
    },
    {
      "experimental_method": "X-ray",
      "initial_release_date": "2019-03-13",
      "organisms": [
        "Homo sapiens"
      ],
      "pdb_id": "6NPV",
      "resolution_angstrom": 1.86,
      "score": 0.7291328351654636,
      "title": "C-abl Kinase domain with the activator(cmpd51), N-(1-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl)isonicotinamide",
      "uniprot_accessions": [
        "P00519"
      ],
      "url": "https://www.rcsb.org/structure/6NPV"
    },
    {
      "experimental_method": "X-ray",
      "initial_release_date": "2006-01-24",
      "organisms": [
        "Homo sapiens"
      ],
      "pdb_id": "2F4J",
      "resolution_angstrom": 1.91,
      "score": 0.6750003573657603,
      "title": "Structure of the Kinase Domain of an Imatinib-Resistant Abl Mutant in Complex with the Aurora Kinase Inhibitor VX-680",
      "uniprot_accessions": [
        "P00519"
      ],
      "url": "https://www.rcsb.org/structure/2F4J"
    },
    {
      "experimental_method": "X-ray",
      "initial_release_date": "2006-11-21",
      "organisms": [
        "Homo sapiens"
      ],
      "pdb_id": "2GQG",
      "resolution_angstrom": 2.4,
      "score": 0.619613473193679,
      "title": "X-ray Crystal Structure of Dasatinib (BMS-354825) Bound to Activated ABL Kinase Domain",
      "uniprot_accessions": [
        "P00519"
      ],
      "url": "https://www.rcsb.org/structure/2GQG"
    },
    {
      "experimental_method": "X-ray",
      "initial_release_date": "2008-04-22",
      "organisms": [
        "Homo sapiens"
      ],
      "pdb_id": "3CS9",
      "resolution_angstrom": 2.21,
      "score": 0.5665768890301535,
      "title": "Human ABL kinase in complex with nilotinib",
      "uniprot_accessions": [
        "P00519"
      ],
      "url": "https://www.rcsb.org/structure/3CS9"
    }
  ],
  "source_url": "https://search.rcsb.org/rcsbsearch/v2/query?json=%7B%22query%22%3A%7B%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22parameters%22%3A%7B%22value%22%3A%22imatinib%22%7D%2C%22service%22%3A%22full_text%22%2C%22type%22%3A%22terminal%22%7D%2C%7B%22label%22%3A%22nested-attribute%22%2C%22logical_operator%22%3A%22and%22%2C%22nodes%22%3A%5B%7B%22parameters%22%3A%7B%22attribute%22%3A%22rcsb_polymer_entity_container_identifiers.reference_sequence_identifiers.database_accession%22%2C%22operator%22%3A%22exact_match%22%2C%22value%22%3A%22P00519%22%7D%2C%22service%22%3A%22text%22%2C%22type%22%3A%22terminal%22%7D%2C%7B%22parameters%22%3A%7B%22attribute%22%3A%22rcsb_polymer_entity_container_identifiers.reference_sequence_identifiers.database_name%22%2C%22operator%22%3A%22exact_match%22%2C%22value%22%3A%22UniProt%22%7D%2C%22service%22%3A%22text%22%2C%22type%22%3A%22terminal%22%7D%5D%2C%22type%22%3A%22group%22%7D%5D%2C%22type%22%3A%22group%22%7D%2C%22request_options%22%3A%7B%22paginate%22%3A%7B%22rows%22%3A25%2C%22start%22%3A0%7D%2C%22results_content_type%22%3A%5B%22experimental%22%5D%2C%22sort%22%3A%5B%7B%22direction%22%3A%22desc%22%2C%22sort_by%22%3A%22score%22%7D%5D%7D%2C%22return_type%22%3A%22entry%22%7D",
  "total_count": 9
}
Browse the library