8JXT
 
 | | Histamine-bound H4R/Gi complex | | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | He, Y, Xia, R. | | Deposit date: | 2023-07-01 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Structural basis of ligand recognition and design of antihistamines targeting histamine H 4 receptor.
Nat Commun, 15, 2024
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8JXX
 | | Clobenpropit-bound H4R/Gi complex | | Descriptor: | 3-(1~{H}-imidazol-4-yl)propyl ~{N}'-[(4-chlorophenyl)methyl]carbamimidothioate, 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: | He, Y, Xia, R. | | Deposit date: | 2023-07-01 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Structural basis of ligand recognition and design of antihistamines targeting histamine H 4 receptor.
Nat Commun, 15, 2024
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8JXW
 | | VUF6884-bound H4R/Gi complex | | Descriptor: | 2-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine, 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: | He, Y, Xia, R. | | Deposit date: | 2023-07-01 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Structural basis of ligand recognition and design of antihistamines targeting histamine H 4 receptor.
Nat Commun, 15, 2024
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8JXV
 | | Clozapine-bound H4R/Gi complex | | Descriptor: | 3-chloranyl-6-(4-methylpiperazin-1-yl)-11~{H}-benzo[b][1,4]benzodiazepine, 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: | He, Y, Xia, R. | | Deposit date: | 2023-07-01 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Structural basis of ligand recognition and design of antihistamines targeting histamine H 4 receptor.
Nat Commun, 15, 2024
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1LZO
 | | Plasmodium Falciparum Triosephosphate Isomerase-Phosphoglycolate Complex | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, Triosephosphate Isomerase | | Authors: | Parthasarathy, S, Balaram, H, Balaram, P, Murthy, M.R. | | Deposit date: | 2002-06-11 | | Release date: | 2003-01-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the Plasmodium falciparum triosephosphate isomerase-phosphoglycolate complex in two crystal forms: characterization of catalytic loop open and closed conformations in the ligand-bound state
Biochemistry, 41, 2002
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2PNN
 | | Crystal Structure of the Ankyrin Repeat Domain of Trpv1 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Transient receptor potential cation channel subfamily V member 1 | | Authors: | Jin, X, Gaudet, R. | | Deposit date: | 2007-04-24 | | Release date: | 2007-07-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Ankyrin Repeats of TRPV1 Bind Multiple Ligands and Modulate Channel Sensitivity.
Neuron, 54, 2007
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2F2Q
 | | High resolution crystal structure of T4 lysozyme mutant L20R63/A liganded to guanidinium ion | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, GUANIDINE, ... | | Authors: | Yousef, M.S, Bischoff, N, Dyer, C.M, Baase, W.A, Matthews, B.W. | | Deposit date: | 2005-11-17 | | Release date: | 2006-04-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Guanidinium derivatives bind preferentially and trigger long-distance conformational changes in an engineered T4 lysozyme.
Protein Sci., 15, 2006
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2F32
 | | Xray crystal structure of lysozyme mutant L20/R63A liganded to ethylguanidinium | | Descriptor: | BETA-MERCAPTOETHANOL, Lysozyme, N-ETHYLGUANIDINE | | Authors: | Yousef, M.S, Bischoff, N, Dyer, C.M, Baase, W.A, Matthews, B.W. | | Deposit date: | 2005-11-18 | | Release date: | 2006-04-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Guanidinium derivatives bind preferentially and trigger long-distance conformational changes in an engineered T4 lysozyme.
Protein Sci., 15, 2006
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5NKJ
 | | X-ray structure of the N239C mutant of GLIC | | Descriptor: | Proton-gated ion channel | | Authors: | Hu, H, Fourati, Z, Delarue, M. | | Deposit date: | 2017-03-31 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.74 Å) | | Cite: | Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels.
Cell Rep, 23, 2018
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7A6V
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6TTK
 | | Crystal structure of the kelch domain of human KLHL12 in complex with DVL1 peptide | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DVL1, ... | | Authors: | Chen, Z, Williams, E, Pike, A.C.W, Strain-Damerell, C, Wang, D, Chalk, R, Burgess-Brown, N, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2019-12-27 | | Release date: | 2020-02-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.383 Å) | | Cite: | Identification of a PGXPP degron motif in dishevelled and structural basis for its binding to the E3 ligase KLHL12.
Open Biology, 10, 2020
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3P17
 | | Thrombin Inhibition by Pyridin Derivatives | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(pyridin-3-ylmethyl)-L-prolinamide, Hirudin variant-2, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2010-09-30 | | Release date: | 2011-11-02 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin.
J.Mol.Biol., 418, 2012
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1OLC
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8C0Q
 | | Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative. | | Descriptor: | (4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Alterio, V, De Simone, G, Esposito, D. | | Deposit date: | 2022-12-19 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors.
Biology (Basel), 12, 2023
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8C0R
 | | Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative. | | Descriptor: | Carbonic anhydrase 2, ZINC ION, bis(fluoranyl)-(4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide | | Authors: | Alterio, V, De Simone, G, Esposito, D. | | Deposit date: | 2022-12-19 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors.
Biology (Basel), 12, 2023
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4PP8
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7SHU
 | | IgE-Fc in complex with omalizumab variant C02 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy constant epsilon, ... | | Authors: | Pennington, L.F, Jardetzky, T.J, Kleinboelting, S. | | Deposit date: | 2021-10-11 | | Release date: | 2021-12-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
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7V8E
 | | Crystal structure of IpaH1.4 LRR domain bound to HOIL-1L UBL domain. | | Descriptor: | RING-type E3 ubiquitin transferase, RanBP-type and C3HC4-type zinc finger-containing protein 1 | | Authors: | Liu, J, Wang, Y, Pan, L. | | Deposit date: | 2021-08-22 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanistic insights into the subversion of the linear ubiquitin chain assembly complex by the E3 ligase IpaH1.4 of Shigella flexneri.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7SHZ
 | | IgE-Fc in complex with HAE | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Pennington, L.F, Jardetzky, T.J, Kleinboelting, S. | | Deposit date: | 2021-10-11 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
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7SHY
 | | IgE-Fc in complex with omalizumab scFv | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, IgE Fc, ... | | Authors: | Pennington, L.F, Jardetzky, T.J, Kleinboelting, S. | | Deposit date: | 2021-10-11 | | Release date: | 2021-12-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
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7SI0
 | | IgE-Fc in complex with 813 | | Descriptor: | 813 Variable fragment Heavy chain, 813 Variable fragment Light chain, IgE Fc, ... | | Authors: | Pennington, L.F, Jardetzky, T.J, Kleinboelting, S. | | Deposit date: | 2021-10-12 | | Release date: | 2021-12-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Directed evolution of and structural insights into antibody-mediated disruption of a stable receptor-ligand complex.
Nat Commun, 12, 2021
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7SHT
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3QTV
 | | Thrombin Inhibition by Pyridin Derivatives | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-4-yl)methyl]-L-prolinamide, GLYCEROL, ... | | Authors: | Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2011-02-23 | | Release date: | 2012-02-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
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7YXP
 | | Crystal structure of WT AncGR2-LBD WT bound to dexamethasone and SHP coregulator fragment | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, ... | | Authors: | Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | Deposit date: | 2022-02-16 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.36 Å) | | Cite: | The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
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7YXO
 | | Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, ... | | Authors: | Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | Deposit date: | 2022-02-16 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
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