6KC5
 
 | | HOIP-HOIPIN1 complex | | Descriptor: | 2-[3-(2-methoxyphenyl)-3-oxidanylidene-propyl]benzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase RNF31, ... | | Authors: | Sato, Y, Fukai, S. | | Deposit date: | 2019-06-27 | | Release date: | 2020-04-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.543 Å) | | Cite: | Molecular bases for HOIPINs-mediated inhibition of LUBAC and innate immune responses.
Commun Biol, 3, 2020
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7IBF
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7ICA
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5MRI
 | | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with Triazolone 18 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, ... | | Authors: | Andersen, J.L, Strandbygaard, D, Thirup, S. | | Deposit date: | 2016-12-23 | | Release date: | 2017-05-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin.
Bioorg. Med. Chem. Lett., 27, 2017
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1VB0
 | | Atomic resolution structure of atratoxin-b, one short-chain neurotoxin from Naja atra | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cobrotoxin b, SULFATE ION | | Authors: | Lou, X, Liu, Q, Teng, M, Niu, L, Huang, Q, Hao, Q. | | Deposit date: | 2004-02-20 | | Release date: | 2004-12-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (0.92 Å) | | Cite: | The atomic resolution crystal structure of atratoxin determined by single wavelength anomalous diffraction phasing
J.Biol.Chem., 279, 2004
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9HCM
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 45 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(trifluoromethyloxy)phenyl]thiourea, CALCIUM ION, ... | | Authors: | Casale, G, Le Bihan, Y.-V, Van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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9HCP
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 15 | | Descriptor: | 1,2-ETHANEDIOL, 2-(difluoromethoxy)benzene-1-sulfonamide, CALCIUM ION, ... | | Authors: | Casale, G, Le Bihan, Y.-V, Van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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7IB8
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7IBH
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7BR4
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9HCS
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 49 | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea, ... | | Authors: | Casale, G, Le Bihan, Y.-V, Van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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9HCX
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 53 | | Descriptor: | 1,2-ETHANEDIOL, 1-(3,4,5-trimethoxyphenyl)methanamine, CALCIUM ION, ... | | Authors: | Casale, G, Le Bihan, Y.-V, van Montfort, R.L.M, Guettler, S. | | Deposit date: | 2024-11-11 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
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7ID0
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5GWA
 | | Crystal structure of TLA-3 extended-spectrum beta-lactamase in a complex with avibactam | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Wachino, J, Jin, W, Arakawa, Y. | | Deposit date: | 2016-09-09 | | Release date: | 2017-07-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595.
Antimicrob. Agents Chemother., 61, 2017
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7BRF
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4ZOP
 | | Co-crystal Structure of Lipid Kinase PI3K alpha with a selective phosphatidylinositol-3 kinase alpha inhibitor | | Descriptor: | (2S,3R)-N~1~-(8-tert-butyl-4,5-dihydro[1,3]thiazolo[4,5-h]quinazolin-2-yl)-3-methylpyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Knapp, M.S, Elling, R.A. | | Deposit date: | 2015-05-06 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Co-crystal Structure of the Lipid Kinase PI3K alpha with a selective phosphatidylinositol-3 kinase alpha inhibitorCo-crystal Structure of the Lipid Kinase PI3K alpha with a selective phosphatidylinositol-3 kinase alpha inhibitor
To Be Published
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4G17
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5K2B
 | | 2.5 angstrom A2a adenosine receptor structure with MR phasing using XFEL data | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | Authors: | Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | | Deposit date: | 2016-05-18 | | Release date: | 2016-09-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
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3E8R
 | | Crystal structure of catalytic domain of TACE with hydroxamate inhibitor | | Descriptor: | (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide, ADAM 17, CITRIC ACID, ... | | Authors: | Orth, P. | | Deposit date: | 2008-08-20 | | Release date: | 2008-10-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket.
Bioorg.Med.Chem.Lett., 18, 2008
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7IBA
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6E59
 | | Crystal structure of the human NK1 tachykinin receptor | | Descriptor: | 1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine, Substance-P receptor, GlgA glycogen synthase, ... | | Authors: | Yin, J, Clark, L, Chapman, K, Shao, Z, Borek, D, Xu, Q, Wang, J, Rosenbaum, D.M. | | Deposit date: | 2018-07-19 | | Release date: | 2018-12-12 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Crystal structure of the human NK1tachykinin receptor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7IB9
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9FL6
 | | Human NUDT1 with medetomidine | | Descriptor: | 5-[(1~{R})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, ACETATE ION, Isoform p26 of Oxidized purine nucleoside triphosphate hydrolase | | Authors: | Salah, E, Huber, K.V.M, Elkins, J.M. | | Deposit date: | 2024-06-04 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | NUDT1 with medetomidine
To be published
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5MYB
 | | Homodimerization of Tie2 Fibronectin-like domains 2 and 3 in space group P21 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiopoietin-1 receptor, ... | | Authors: | Leppanen, V.-M, Saharinen, P, Alitalo, K. | | Deposit date: | 2017-01-26 | | Release date: | 2017-04-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis of Tie2 activation and Tie2/Tie1 heterodimerization.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5ZWF
 | | Covalent bond formation between histidine of Vitamin D receptor (VDR) and a full agonist having a enone with a beta methyl group via conjugate addition reaction | | Descriptor: | (E,7R)-7-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-2-en-4-one, 13-meric peptide from DRIP205 NR2 BOX peptide, Vitamin D3 receptor | | Authors: | Yoshizawa, M, Itoh, T, Anami, Y, Kato, A, Yoshimoto, N, Yamamoto, K. | | Deposit date: | 2018-05-15 | | Release date: | 2018-07-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands
J. Med. Chem., 61, 2018
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