3QJM
 
 | | Structural flexibility of Shank PDZ domain is important for its binding to different ligands | | Descriptor: | Beta-PIX, SH3 and multiple ankyrin repeat domains protein 1 | | Authors: | Lee, J.H, Park, H, Park, S.J, Kim, H.J, Eom, S.H. | | Deposit date: | 2011-01-30 | | Release date: | 2011-04-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.311 Å) | | Cite: | The structural flexibility of the shank1 PDZ domain is important for its binding to different ligands
Biochem.Biophys.Res.Commun., 407, 2011
|
|
8BWU
 | | Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor | | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION | | Authors: | Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M. | | Deposit date: | 2022-12-07 | | Release date: | 2023-10-11 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes
Digit Discov, 2024
|
|
3EAM
 | | An open-pore structure of a bacterial pentameric ligand-gated ion channel | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, DODECYL-BETA-D-MALTOSIDE, Glr4197 protein | | Authors: | Bocquet, N, Nury, H, Baaden, M, Le Poupon, C, Changeux, J.P, Delarue, M, Corringer, P.J. | | Deposit date: | 2008-08-26 | | Release date: | 2008-11-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | X-ray structure of a pentameric ligand-gated ion channel in an apparently open conformation.
Nature, 457, 2009
|
|
3GBB
 | | X-ray structure of iGluR5 ligand-binding core (S1S2) in complex with MSVIII-19 at 2.10A resolution | | Descriptor: | (2R,3aR,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid, Glutamate receptor, ionotropic kainate 1 | | Authors: | Frydenvang, K, Naur, P, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2009-02-19 | | Release date: | 2009-03-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Full Domain Closure of the Ligand-binding Core of the Ionotropic Glutamate Receptor iGluR5 Induced by the High Affinity Agonist Dysiherbaine and the Functional Antagonist 8,9-Dideoxyneodysiherbaine
J.Biol.Chem., 284, 2009
|
|
2YFB
 | | X-ray structure of McpS ligand binding domain in complex with succinate | | Descriptor: | ACETATE ION, METHYL-ACCEPTING CHEMOTAXIS TRANSDUCER, SUCCINIC ACID, ... | | Authors: | Gavira, J.A, Pineda-Molina, E, Krell, T. | | Deposit date: | 2011-04-05 | | Release date: | 2012-04-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Evidence for Chemoreceptors with Bimodular Ligand-Binding Regions Harboring Two Signal-Binding Sites.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
8EIC
 | | Crystal structure of beta-catenin and the MDM2 p53-binding domain in complex with H330, a Helicon Polypeptide | | Descriptor: | Catenin beta-1, E3 ubiquitin-protein ligase Mdm2, H330, ... | | Authors: | Li, K, Travaline, T.L, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | | Deposit date: | 2022-09-14 | | Release date: | 2023-10-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
|
|
8EIB
 | | Crystal structure of beta-catenin and the MDM2 p53-binding domain in complex with H329, a Helicon Polypeptide | | Descriptor: | Catenin beta-1, E3 ubiquitin-protein ligase Mdm2, H329, ... | | Authors: | Li, K, Travaline, T.L, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | | Deposit date: | 2022-09-14 | | Release date: | 2023-10-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.76 Å) | | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
|
|
8EI9
 | | Crystal structure of beta-catenin and the MDM2 p53-binding domain in complex with H332, a Helicon Polypeptide | | Descriptor: | Catenin beta-1, E3 ubiquitin-protein ligase Mdm2, H332, ... | | Authors: | Li, K, Travaline, T.L, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | | Deposit date: | 2022-09-14 | | Release date: | 2023-10-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
|
|
8EI8
 | | Crystal structure of the WWP2 HECT domain in complex with H308, a Helicon Polypeptide | | Descriptor: | 1,2-ETHANEDIOL, H308, N,N'-(1,4-phenylene)diacetamide, ... | | Authors: | Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | | Deposit date: | 2022-09-14 | | Release date: | 2023-10-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
|
|
8EHZ
 | | Crystal structure of the STUB1 TPR domain in complex with H317, a Helicon Polypeptide | | Descriptor: | E3 ubiquitin-protein ligase CHIP, H317, N,N'-(1,4-phenylene)diacetamide | | Authors: | Li, K, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | | Deposit date: | 2022-09-14 | | Release date: | 2023-10-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
|
|
8EI0
 | | Crystal structure of the STUB1 TPR domain in complex with H318, a Helicon Polypeptide | | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CHIP, H318, ... | | Authors: | Li, K, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | | Deposit date: | 2022-09-14 | | Release date: | 2023-10-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
|
|
8EI6
 | | Crystal structure of the WWP2 HECT domain in complex with H305, a Helicon Polypeptide | | Descriptor: | H305, N,N'-(1,4-phenylene)diacetamide, NEDD4-like E3 ubiquitin-protein ligase WWP2 | | Authors: | Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | | Deposit date: | 2022-09-14 | | Release date: | 2023-10-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.62 Å) | | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
|
|
8EI5
 | | Crystal structure of the WWP2 HECT domain in complex with H301, a Helicon Polypeptide | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, H301, ... | | Authors: | Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | | Deposit date: | 2022-09-14 | | Release date: | 2023-10-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
|
|
8EIA
 | | Crystal structure of beta-catenin and the MDM2 p53-binding domain in complex with H333, a Helicon Polypeptide | | Descriptor: | Catenin beta-1, E3 ubiquitin-protein ligase Mdm2, H333, ... | | Authors: | Li, K, Travaline, T.L, Swiecicki, J.-M, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | | Deposit date: | 2022-09-14 | | Release date: | 2023-10-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
|
|
8EI7
 | | Crystal structure of the WWP2 HECT domain in complex with H304, a Helicon Polypeptide | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | | Deposit date: | 2022-09-14 | | Release date: | 2023-10-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
|
|
1Q3P
 | | Crystal structure of the Shank PDZ-ligand complex reveals a class I PDZ interaction and a novel PDZ-PDZ dimerization | | Descriptor: | C-terminal hexapeptide from Guanylate kinase-associated protein, Shank1 | | Authors: | Im, Y.J, Lee, J.H, Park, S.H, Park, S.J, Rho, S.-H, Kang, G.B, Kim, E, Eom, S.H. | | Deposit date: | 2003-07-31 | | Release date: | 2004-01-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of the Shank PDZ-ligand complex reveals a class I PDZ interaction and a novel PDZ-PDZ dimerization
J.Biol.Chem., 278, 2003
|
|
1AT1
 | |
2YFA
 | | X-ray structure of McpS ligand binding domain in complex with malate | | Descriptor: | (2S)-2-hydroxybutanedioic acid, ACETATE ION, METHYL-ACCEPTING CHEMOTAXIS TRANSDUCER, ... | | Authors: | Pineda-Molina, E, Gavira, J.A, Krell, T. | | Deposit date: | 2011-04-05 | | Release date: | 2012-04-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evidence for Chemoreceptors with Bimodular Ligand-Binding Regions Harboring Two Signal-Binding Sites.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
5LG3
 | | X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) in complex with chlorpromazine | | Descriptor: | 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, Gamma-aminobutyric-acid receptor subunit beta-1 | | Authors: | Nys, M, Wijckmans, E, Farinha, A, Brams, M, Spurny, R, Ulens, C. | | Deposit date: | 2016-07-05 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.567 Å) | | Cite: | Allosteric binding site in a Cys-loop receptor ligand-binding domain unveiled in the crystal structure of ELIC in complex with chlorpromazine.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
3GBA
 | | X-ray structure of iGluR5 ligand-binding core (S1S2) in complex with dysiherbaine at 1.35A resolution | | Descriptor: | (2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Frydenvang, K, Naur, P, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2009-02-19 | | Release date: | 2009-03-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Full Domain Closure of the Ligand-binding Core of the Ionotropic Glutamate Receptor iGluR5 Induced by the High Affinity Agonist Dysiherbaine and the Functional Antagonist 8,9-Dideoxyneodysiherbaine
J.Biol.Chem., 284, 2009
|
|
7Y3C
 | | Crystal structure of TRIM7 bound to RACO-1 | | Descriptor: | E3 ubiquitin-protein ligase TRIM7,E3 ubiquitin-protein ligase TRIM7,TRIM7-RACO-1 | | Authors: | Dong, C, Yan, X. | | Deposit date: | 2022-06-10 | | Release date: | 2022-08-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | C-terminal glutamine acts as a C-degron targeted by E3 ubiquitin ligase TRIM7.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
2WRZ
 | | Crystal structure of an arabinose binding protein with designed serotonin binding site in open, ligand-free state | | Descriptor: | L-ARABINOSE-BINDING PERIPLASMIC PROTEIN | | Authors: | Schreier, B, Stumpp, C, Wiesner, S, Hocker, B. | | Deposit date: | 2009-09-03 | | Release date: | 2009-10-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Computational Design of Ligand Binding is not a Solved Problem
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
1SQN
 | | Progesterone Receptor Ligand Binding Domain with bound Norethindrone | | Descriptor: | (14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one, progesterone receptor | | Authors: | Williams, S.P, Madauss, K.P, Deng, J.-S, Austin, R.J.H, Lambert, M.H, McLay, I, Pritchard, J, Short, S.A, Stewart, E.L, Uings, I.J. | | Deposit date: | 2004-03-19 | | Release date: | 2004-07-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes
J.Med.Chem., 47, 2004
|
|
3L2O
 | |
1BBH
 | |
