4LQZ
 
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6Q0U
 | | Structure of the Erbin PDZ variant E-6a with a high-affinity C-terminal peptide | | Descriptor: | 1,2-ETHANEDIOL, Erbin, peptide | | Authors: | Singer, A.U, Teyra, J, Ernst, A, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2019-08-02 | | Release date: | 2019-11-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Comprehensive analysis of all evolutionary paths between two divergent PDZ domain specificities.
Protein Sci., 29, 2020
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6GHD
 | | Structural analysis of the ternary complex between lamin A/C, BAF and emerin identifies an interface disrupted in autosomal recessive progeroid diseases | | Descriptor: | 1,2-ETHANEDIOL, Barrier-to-autointegration factor, Emerin, ... | | Authors: | Samson, C, Petitalot, A, Celli, F, Herrada, I, Ropars, V, Ledu, M.H, Nhiri, N, Arteni, A.A, Buendia, B, ZinnJustin, S. | | Deposit date: | 2018-05-07 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural analysis of the ternary complex between lamin A/C, BAF and emerin identifies an interface disrupted in autosomal recessive progeroid diseases.
Nucleic Acids Res., 46, 2018
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5ZFJ
 | | Crystal structure of a cyclase Filc from Fischerella sp. in complex with 4-(1H-Indol-3-yl)butan-2-one | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(1~{H}-indol-3-yl)butan-2-one, CALCIUM ION, ... | | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-03-06 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
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6D5W
 | | Ras:SOS:Ras in complex with a small molecule activator | | Descriptor: | 10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Phan, J, Hodges, T, Fesik, S.W. | | Deposit date: | 2018-04-19 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.478 Å) | | Cite: | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS.
J. Med. Chem., 61, 2018
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7BZL
 | | GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol | | Descriptor: | (1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol, Non-reducing end beta-L-arabinofuranosidase, ZINC ION | | Authors: | Amaki, S, McGregor, N.G.S, Arakawa, T, Yamada, C, Borlandelli, V, Overkleeft, H.S, Davies, G.J, Fushinobu, S. | | Deposit date: | 2020-04-28 | | Release date: | 2021-01-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Angew.Chem.Int.Ed.Engl., 60, 2021
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5EPL
 | | Crystal Structure of chromodomain of CBX4 in complex with inhibitor UNC3866 | | Descriptor: | E3 SUMO-protein ligase CBX4, UNKNOWN ATOM OR ION, unc3866 | | Authors: | Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-11 | | Release date: | 2015-12-23 | | Last modified: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1.
Nat.Chem.Biol., 12, 2016
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6GIH
 | | Crystal Structure of CK2alpha with CAM187 bound | | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine | | Authors: | Brear, P, Iegre, J, North, A, De Fusco, C, Georgiou, K, Lubin, A, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2018-05-11 | | Release date: | 2018-05-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Novel non-ATP competitive small molecules targeting the CK2 alpha / beta interface.
Bioorg. Med. Chem., 26, 2018
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9HUB
 | | D11 mAbs bound to alpha-Bungarotoxin at pH 7.5 | | Descriptor: | 1,2-ETHANEDIOL, Alpha-bungarotoxin, heavy chain, ... | | Authors: | Wade, J.W, Bohn, M.F, Laustsen, A.H, Morth, J.P. | | Deposit date: | 2024-12-21 | | Release date: | 2025-11-19 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Rational design of antibodies with pH-dependent antigen-binding properties using structural insights from broadly neutralizing antibodies against alpha-neurotoxins.
Mabs, 17, 2025
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6K8X
 | | Crystal structure of a class C beta lactamase | | Descriptor: | Beta-lactamase | | Authors: | Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S. | | Deposit date: | 2019-06-13 | | Release date: | 2019-10-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1.
Antimicrob.Agents Chemother., 63, 2019
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7D9Q
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 7 | | Descriptor: | (2S)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | Authors: | Liu, Q.F, Yin, W.C. | | Deposit date: | 2020-10-14 | | Release date: | 2021-08-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
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7SZA
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5A8M
 | | Crystal structure of the selenomethionine derivative of beta-glucanase SdGluc5_26A from Saccharophagus degradans | | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L. | | Deposit date: | 2015-07-16 | | Release date: | 2016-01-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
J.Biol.Chem., 291, 2016
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5X3J
 | | Kfla1895 D451A mutant in complex with cyclobis-(1->6)-alpha-nigerosyl | | Descriptor: | Cyclic alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose, GLYCEROL, Glycoside hydrolase family 31, ... | | Authors: | Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A. | | Deposit date: | 2017-02-06 | | Release date: | 2018-02-07 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Glycoside hydrolase mutant in complex with substrate
To Be Published
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4XKX
 | | Crystal structure of BACE1 in complex with 2-aminooxazoline 3-azaxanthene inhibitor 28 | | Descriptor: | (5S)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ... | | Authors: | Whittington, D.A, Long, A.M. | | Deposit date: | 2015-01-12 | | Release date: | 2015-02-04 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Development of 2-aminooxazoline 3-azaxanthenes as orally efficacious beta-secretase inhibitors for the potential treatment of Alzheimer's disease.
Bioorg.Med.Chem.Lett., 25, 2015
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5F0J
 | | Structure of retromer VPS26-VPS35 subunits bound to SNX3 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | | Authors: | Lucas, M, Gershlick, D, Vidaurrazaga, A, Rojas, A.L, Bonifacino, J.S, Hierro, A. | | Deposit date: | 2015-11-27 | | Release date: | 2016-12-07 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Mechanism for Cargo Recognition by the Retromer Complex.
Cell, 167, 2016
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5EU6
 | | HLA Class I antigen | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Bianchi, V, Cole, D.K, Sewell, A.K. | | Deposit date: | 2015-11-18 | | Release date: | 2016-03-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | A Molecular Switch Abrogates Glycoprotein 100 (gp100) T-cell Receptor (TCR) Targeting of a Human Melanoma Antigen.
J.Biol.Chem., 291, 2016
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5EU4
 | | HLA Class I antigen | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Bianchi, V, Cole, D.K, Sewell, A.K. | | Deposit date: | 2015-11-18 | | Release date: | 2016-03-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | A Molecular Switch Abrogates Glycoprotein 100 (gp100) T-cell Receptor (TCR) Targeting of a Human Melanoma Antigen.
J.Biol.Chem., 291, 2016
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4LV5
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4M4D
 | | Crystal structure of lipopolysaccharide binding protein | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipopolysaccharide-binding protein | | Authors: | Eckert, J.K, Kim, Y.J, Kim, J.I, Gurtler, K, Oh, D.Y, Ploeg, A.H, Pickkers, P, Lundvall, L, Hamann, L, Giamarellos-Bourboulis, E, Kubarenko, A.V, Weber, A.N, Kabesch, M, Kumpf, O, An, H.J, Lee, J.O, Schumann, R.R. | | Deposit date: | 2013-08-07 | | Release date: | 2013-10-30 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.909 Å) | | Cite: | The crystal structure of lipopolysaccharide binding protein reveals the location of a frequent mutation that impairs innate immunity.
Immunity, 39, 2013
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9HCY
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 54 | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone, 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 (1.93 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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9HD0
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 55 | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone, 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 (1.93 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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5ZTY
 | | Crystal structure of human G protein coupled receptor | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Li, X.T, Hua, T, Wu, L.J, Liu, Z.J. | | Deposit date: | 2018-05-05 | | Release date: | 2019-01-30 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of the Human Cannabinoid Receptor CB2
Cell, 176, 2019
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8R20
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4M65
 | | In situ thermolysin crystallized on a MiTeGen micromesh with asparagine ligand | | Descriptor: | 1,2-ETHANEDIOL, ASPARAGINE, CALCIUM ION, ... | | Authors: | Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S. | | Deposit date: | 2013-08-08 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Hitting the target: fragment screening with acoustic in situ
co-crystallization of proteins plus fragment libraries on
pin-mounted data-collection micromeshes
Acta Crystallogr.,Sect.D, D70
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