5MA7
 
 | | Structure of thermolysin in complex with inhibitor (JC306). | | Descriptor: | (2~{S})-2-[[(2~{S})-3-azanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methyl-pentanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | | Deposit date: | 2016-11-03 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | How Nothing Boosts Affinity: Hydrophobic Ligand Binding to the Virtually Vacated S1' Pocket of Thermolysin.
J. Am. Chem. Soc., 139, 2017
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5GGE
 | | Fatty Acid-Binding Protein in Brain Tissue of Drosophila melanogaster | | Descriptor: | CITRIC ACID, Fatty acid bindin protein, isoform B | | Authors: | Cheng, Y.-Y, Huang, Y.-F, Lin, H.-H, Chang, W.W, Lyu, P.-C. | | Deposit date: | 2016-06-15 | | Release date: | 2017-06-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.861 Å) | | Cite: | The ligand-mediated affinity of brain-type fatty acid-binding protein for membranes determines the directionality of lipophilic cargo transport.
Biochim Biophys Acta Mol Cell Biol Lipids, 1864, 2019
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8WCQ
 | | Cryo-EM structure of nanodisc (PE:PS:PC) reconstituted GLIC at pH 4 in intermediate state | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHLORIDE ION, Proton-gated ion channel | | Authors: | Bharambe, N, Li, Z, Basak, S. | | Deposit date: | 2023-09-13 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Cryo-EM structures of prokaryotic ligand-gated ion channel GLIC provide insights into gating in a lipid environment.
Nat Commun, 15, 2024
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6SRS
 | | Structure of the Fanconi anaemia core subcomplex | | Descriptor: | Fanconi anaemia protein FANCL, Unassigned secondary structure elements (central region, proposed FANCB-FAAP100), ... | | Authors: | Shakeel, S, Rajendra, E, Alcon, P, He, S, Scheres, S.H.W, Passmore, L.A. | | Deposit date: | 2019-09-05 | | Release date: | 2019-11-06 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structure of the Fanconi anaemia monoubiquitin ligase complex.
Nature, 575, 2019
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4IBA
 | | Bovine beta-lactoglobulin (isoform B) in complex with dodecyl sulphate (SDS) | | Descriptor: | DODECYL SULFATE, GLYCEROL, beta-lactoglobulin | | Authors: | Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K. | | Deposit date: | 2012-12-08 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography
J.Mol.Recognit., 26, 2013
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4IB7
 | | Bovine beta-lactoglobulin (isoform A) in complex with dodecyltrimethylammonium (DTAC) | | Descriptor: | DODECANE-TRIMETHYLAMINE, beta-lactoglobulin | | Authors: | Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K. | | Deposit date: | 2012-12-08 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography
J.Mol.Recognit., 26, 2013
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6GOH
 | | X-ray structure of the adduct formed upon reaction of lysozyme with a Pt(II) complex bearing N,N-pyridylbenzimidazole derivative with an alkylated sulphonate side chain | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | | Authors: | Merlino, A, Ferraro, G. | | Deposit date: | 2018-06-01 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Exploring the interactions between model proteins and Pd(ii) or Pt(ii) compounds bearing charged N,N-pyridylbenzimidazole bidentate ligands by X-ray crystallography.
Dalton Trans, 47, 2018
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8WCR
 | | Cryo-EM structure of nanodisc (PE:PS:PC) reconstituted GLIC at pH 4 in open state | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHLORIDE ION, Proton-gated ion channel | | Authors: | Bharambe, N, Li, Z, Basak, S. | | Deposit date: | 2023-09-13 | | Release date: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | Cryo-EM structures of prokaryotic ligand-gated ion channel GLIC provide insights into gating in a lipid environment.
Nat Commun, 15, 2024
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5M69
 | | Thermolysin in complex with inhibitor and xenon | | Descriptor: | (2~{S})-4-methyl-2-[2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]ethanoylamino]pentanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | | Deposit date: | 2016-10-24 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | How Nothing Boosts Affinity: Hydrophobic Ligand Binding to the Virtually Vacated S1' Pocket of Thermolysin.
J. Am. Chem. Soc., 139, 2017
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2HM9
 | | Solution structure of dihydrofolate reductase complexed with trimethoprim, 33 structures | | Descriptor: | 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-BENZYL)-PYRIMIDIN-1-IUM, Dihydrofolate reductase | | Authors: | Polshakov, V.I, Birdsall, B. | | Deposit date: | 2006-07-11 | | Release date: | 2007-06-05 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | NMR structures of apo L.casei dihydrofolate reductase and its complexes with trimethoprim and NADPH. Contributions to positive cooperative binding from ligand-induced refolding, conformational changes and interligand hydrophobic interactions
Biochemistry, 2011
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6GOI
 | | X-ray structure of the adduct formed upon reaction of lysozyme with a Pd(II) complex bearing N,N-pyridylbenzimidazole derivative with an alkylated triphenylphosphonium cation | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | | Authors: | Merlino, A, Ferraro, G. | | Deposit date: | 2018-06-01 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Exploring the interactions between model proteins and Pd(ii) or Pt(ii) compounds bearing charged N,N-pyridylbenzimidazole bidentate ligands by X-ray crystallography.
Dalton Trans, 47, 2018
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8IHI
 | | Cryo-EM structure of HCA2-Gi complex with acifran | | Descriptor: | (5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Suzuki, S, Nishikawa, K, Suzuki, H, Fujiyoshi, Y. | | Deposit date: | 2023-02-22 | | Release date: | 2023-08-30 | | Last modified: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Structural basis of hydroxycarboxylic acid receptor signaling mechanisms through ligand binding.
Nat Commun, 14, 2023
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8IHK
 | | Cryo-EM structure of HCA3-Gi complex with acifran (local) | | Descriptor: | (5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid, Soluble cytochrome b562,Hydroxycarboxylic acid receptor 3 | | Authors: | Suzuki, S, Nishikawa, K, Suzuki, H, Fujiyoshi, Y. | | Deposit date: | 2023-02-22 | | Release date: | 2023-08-30 | | Last modified: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Structural basis of hydroxycarboxylic acid receptor signaling mechanisms through ligand binding.
Nat Commun, 14, 2023
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8IHH
 | | Cryo-EM structure of HCA2-Gi complex with LUF6283 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-butyl-1~{H}-pyrazole-3-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Suzuki, S, Nishikawa, K, Suzuki, H, Fujiyoshi, Y. | | Deposit date: | 2023-02-22 | | Release date: | 2023-08-30 | | Last modified: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Structural basis of hydroxycarboxylic acid receptor signaling mechanisms through ligand binding.
Nat Commun, 14, 2023
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8E40
 | | Full-length APOBEC3G in complex with HIV-1 Vif, CBF-beta, and fork RNA | | Descriptor: | Core-binding factor subunit beta, DNA dC->dU-editing enzyme APOBEC-3G, RNA, ... | | Authors: | Ito, F, Alvarez-Cabrera, A.L, Liu, S, Yang, H, Shiriaeva, A, Zhou, Z.H, Chen, X.S. | | Deposit date: | 2022-08-17 | | Release date: | 2023-01-11 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.57 Å) | | Cite: | Structural basis for HIV-1 antagonism of host APOBEC3G via Cullin E3 ligase.
Sci Adv, 9, 2023
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8IHF
 | | Cryo-EM structure of HCA2-Gi complex with MK6892 | | Descriptor: | 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Suzuki, S, Nishikawa, K, Suzuki, H, Fujiyoshi, Y. | | Deposit date: | 2023-02-22 | | Release date: | 2023-08-30 | | Last modified: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Structural basis of hydroxycarboxylic acid receptor signaling mechanisms through ligand binding.
Nat Commun, 14, 2023
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8IHJ
 | | Cryo-EM structure of HCA3-Gi complex with acifran | | Descriptor: | (5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Suzuki, S, Nishikawa, K, Suzuki, H, Fujiyoshi, Y. | | Deposit date: | 2023-02-22 | | Release date: | 2023-08-30 | | Last modified: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Structural basis of hydroxycarboxylic acid receptor signaling mechanisms through ligand binding.
Nat Commun, 14, 2023
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8IHB
 | | Cryo-EM structure of HCA2-Gi complex with GSK256073 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8-chloranyl-3-pentyl-7H-purine-2,6-dione, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Suzuki, S, Nishikawa, K, Suzuki, H, Fujiyoshi, Y. | | Deposit date: | 2023-02-22 | | Release date: | 2023-09-13 | | Last modified: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Structural basis of hydroxycarboxylic acid receptor signaling mechanisms through ligand binding.
Nat Commun, 14, 2023
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458D
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1NQ1
 | | TR Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal LBD | | Descriptor: | ARSENIC, Thyroid hormone receptor beta-1, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID | | Authors: | Huber, B.R, Desclozeaux, M, West, B.L, Cunha-Lima, S.T, Nguyen, H.T, Baxter, J.D, Ingraham, H.A, Fletterick, R.J. | | Deposit date: | 2003-01-20 | | Release date: | 2003-04-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Thyroid hormone receptor-beta mutations conferring hormone resistance and reduced corepressor release exhibit decreased stability in the N-terminal ligand-binding domain
Mol.Endocrinol., 17, 2003
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6GOK
 | | X-ray structure of the adduct formed upon reaction of bovine pancreatic ribonuclease with a Pd(II) complex bearing N,N-pyridylbenzimidazole derivative with an alkylated sulphonate side chain | | Descriptor: | N,N-pyridylbenzimidazole derivative-Pd complex, PALLADIUM ION, Ribonuclease pancreatic | | Authors: | Merlino, A, Ferraro, G. | | Deposit date: | 2018-06-01 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Exploring the interactions between model proteins and Pd(ii) or Pt(ii) compounds bearing charged N,N-pyridylbenzimidazole bidentate ligands by X-ray crystallography.
Dalton Trans, 47, 2018
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459D
 | | DNA MINOR-GROOVE RECOGNITION OF A TRIS-BENZIMIDAZOLE DRUG | | Descriptor: | 2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*(CBR)P*AP*TP*AP*TP*TP*TP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*AP*TP*GP*CP*G)-3') | | Authors: | Aymami, J, Nunn, C.M, Neidle, S. | | Deposit date: | 1999-03-10 | | Release date: | 1999-06-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | DNA minor groove recognition of a non-self-complementary AT-rich sequence by a tris-benzimidazole ligand.
Nucleic Acids Res., 27, 1999
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6GOB
 | | X-ray structure of the adduct formed upon reaction of lysozyme with a Pd(II) complex bearing N,N-pyridylbenzimidazole derivative with an alkylated sulphonate side chain | | Descriptor: | CHLORIDE ION, Lysozyme C, N,N-pyridylbenzimidazole derivative-Pd complex, ... | | Authors: | Merlino, A, Ferraro, G. | | Deposit date: | 2018-06-01 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Exploring the interactions between model proteins and Pd(ii) or Pt(ii) compounds bearing charged N,N-pyridylbenzimidazole bidentate ligands by X-ray crystallography.
Dalton Trans, 47, 2018
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6GOJ
 | | X-ray structure of the adduct formed upon reaction of lysozyme with a Pt(II) complex bearing N,N-pyridylbenzimidazole derivative with an alkylated triphenylphosphonium cation | | Descriptor: | CHLORIDE ION, Lysozyme C, NITRATE ION, ... | | Authors: | Merlino, A, Ferraro, G. | | Deposit date: | 2018-06-01 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Exploring the interactions between model proteins and Pd(ii) or Pt(ii) compounds bearing charged N,N-pyridylbenzimidazole bidentate ligands by X-ray crystallography.
Dalton Trans, 47, 2018
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4JQJ
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Aminoquinoline | | Descriptor: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-20 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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