1YIE
 
 | | T-to-thigh quaternary transitions in human hemoglobin: betaW37A oxy (2.2MM IHP, 13% PEG) (1 test set) | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | | Deposit date: | 2005-01-11 | | Release date: | 2005-01-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
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8Y52
 | | Cryo-EM structure of the BA1-bound BRS3-Gq complex | | Descriptor: | BA1, Bombesin receptor subtype-3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Li, C, Xu, Y, Yin, W, Xu, H.E. | | Deposit date: | 2024-01-31 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural insights into ligand recognition, selectivity, and activation of bombesin receptor subtype-3.
Cell Rep, 43, 2024
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1Y0D
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1Y2Z
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8Y53
 | | Cryo-EM structure of the MK-5046-bound BRS3-Gq complex | | Descriptor: | (2~{S})-1,1,1-tris(fluoranyl)-2-(4-pyrazol-1-ylphenyl)-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1~{H}-imidazol-2-yl]propan-2-ol, Bombesin receptor subtype-3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Li, C, Xu, Y, Yin, W, Xu, H.E. | | Deposit date: | 2024-01-31 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structural insights into ligand recognition, selectivity, and activation of bombesin receptor subtype-3.
Cell Rep, 43, 2024
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1Y5J
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8C3E
 | | Engineered mini-protein LCB2 (blocking ligand of SARS-Cov-2 spike protein) | | Descriptor: | Engineered protein LCB2, GLYCEROL | | Authors: | Korban, S.A, Mikhailovskii, O.V, Luzik, D.A, Gurzhiy, V.V, Levkina, A.D, Kharkov, B.B, Skrynnikov, N.R. | | Deposit date: | 2022-12-23 | | Release date: | 2023-04-12 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Engineered mini-protein LCB2 (blocking ligand of SARS-Cov-2 spike protein)
To Be Published
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1Y0T
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1YGD
 | | T-To-T(High) quaternary transitions in human hemoglobin: betaW37E alpha zinc beta oxy (10 TEST SETS) | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | | Deposit date: | 2005-01-04 | | Release date: | 2005-01-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
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1Y4B
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3NYR
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6E3S
 | | Crystal Structure of the Heterodimeric HIF-2 Complex with Antagonist PT2385 | | Descriptor: | 3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | Authors: | Wu, D, Su, X, Lu, J, Li, S, Hood, B, Vasile, S, Potluri, N, Diao, X, Kim, Y, Khorasanizadeh, S, Rastinejad, F. | | Deposit date: | 2018-07-15 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Bidirectional modulation of HIF-2 activity through chemical ligands.
Nat. Chem. Biol., 15, 2019
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6E3T
 | | Crystal Structure of the Heterodimeric HIF-2 Complex with Antagonist T1001 | | Descriptor: | (6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | Authors: | Wu, D, Su, X, Lu, J, Li, S, Hood, B, Vasile, S, Potluri, N, Diao, X, Kim, Y, Khorasanizadeh, S, Rastinejad, F. | | Deposit date: | 2018-07-15 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Bidirectional modulation of HIF-2 activity through chemical ligands.
Nat. Chem. Biol., 15, 2019
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6E3U
 | | Crystal Structure of the Heterodimeric HIF-2 Complex with Agonist M1001 | | Descriptor: | 3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1H-1lambda~6~,2-benzothiazole-1,1-dione, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | Authors: | Wu, D, Su, X, Lu, J, Li, S, Hood, B, Vasile, S, Potluri, N, Diao, X, Kim, Y, Khorasanizadeh, S, Rastinejad, F. | | Deposit date: | 2018-07-15 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Bidirectional modulation of HIF-2 activity through chemical ligands.
Nat. Chem. Biol., 15, 2019
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6BRL
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5OH8
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Rolipram | | Descriptor: | Cereblon isoform 4, ROLIPRAM, ZINC ION | | Authors: | Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D. | | Deposit date: | 2017-07-14 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
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1Y4R
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2ZNK
 | | Thrombin Inhibition | | Descriptor: | D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ... | | Authors: | Baum, B, Heine, A, Klebe, G. | | Deposit date: | 2008-04-26 | | Release date: | 2009-04-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry.
J.Mol.Biol., 397, 2010
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3H9K
 | | Structures of Thymidylate Synthase R163K with Substrates and Inhibitors Show Subunit Asymmetry | | Descriptor: | 1,2-ETHANEDIOL, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, PHOSPHATE ION, ... | | Authors: | Gibson, L.M, Lovelace, L.L, Lebioda, L. | | Deposit date: | 2009-04-30 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structures of human thymidylate synthase R163K with dUMP, FdUMP and glutathione show asymmetric ligand binding.
Acta Crystallogr.,Sect.D, 67, 2011
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4ZIJ
 | | Crystal structure of E.Coli DsbA in complex with 2-(4-iodophenylsulfonamido) benzoic acid | | Descriptor: | 1,2-ETHANEDIOL, 2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid, Thiol:disulfide interchange protein DsbA | | Authors: | Vazirani, M, Ilyichova, O.V, Scanlon, M.J. | | Deposit date: | 2015-04-28 | | Release date: | 2016-05-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Determination of ligand binding modes in weak protein-ligand complexes using sparse NMR data.
J.Biomol.Nmr, 66, 2016
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1BY3
 | | FHUA FROM E. COLI | | Descriptor: | N-OCTYL-2-HYDROXYETHYL SULFOXIDE, PROTEIN (FERRICHROME-IRON RECEPTOR PRECURSOR (FHUA)) | | Authors: | Locher, K.P, Rees, B, Koebnik, R, Mitschler, A, Moulinier, L, Rosenbusch, J.P, Moras, D. | | Deposit date: | 1998-10-22 | | Release date: | 1999-01-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Transmembrane signaling across the ligand-gated FhuA receptor: crystal structures of free and ferrichrome-bound states reveal allosteric changes.
Cell(Cambridge,Mass.), 95, 1998
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2B57
 | | Guanine Riboswitch C74U mutant bound to 2,6-diaminopurine | | Descriptor: | 65-MER, 9H-PURINE-2,6-DIAMINE, ACETATE ION, ... | | Authors: | Gilbert, S.D, Stoddard, C.D, Wise, S.J, Batey, R.T. | | Deposit date: | 2005-09-27 | | Release date: | 2006-05-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Thermodynamic and kinetic characterization of ligand binding to the purine riboswitch aptamer domain.
J.Mol.Biol., 359, 2006
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3RDT
 | | Crystal Structure of 809.B5 TCR complexed with MHC Class II I-Ab/3k peptide | | Descriptor: | 3K peptide, linker and MHC H-2 class II I-Ab beta chain, H-2 class II histocompatibility antigen, ... | | Authors: | Trenh, P, Huseby, E.S, Stern, L.J. | | Deposit date: | 2011-04-01 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A role for differential variable gene pairing in creating T cell receptors specific for unique major histocompatibility ligands.
Immunity, 35, 2011
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1XZ5
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2AHX
 | | Crystal structure of ErbB4/HER4 extracellular domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor tyrosine-protein kinase erbB-4, SULFATE ION, ... | | Authors: | Bouyain, S, Longo, P.A, Li, S, Ferguson, K.M, Leahy, D.J. | | Deposit date: | 2005-07-28 | | Release date: | 2005-09-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.396 Å) | | Cite: | The extracellular region of ErbB4 adopts a tethered conformation in the absence of ligand
Proc.Natl.Acad.Sci.USA, 102, 2005
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