4HXC
 
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5XM5
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6C1E
 | | NavAb NormoPP mutant | | Descriptor: | (3ALPHA,5ALPHA,7ALPHA,8ALPHA,12ALPHA,14BETA,17ALPHA)-3,7,12-TRIHYDROXYCHOL-1-EN-24-AMIDE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 5-BETA-24-NOR-CHOLANE-3(ALPHA),7(ALPHA),12(ALPHA)-TRIOL, ... | | Authors: | Catterall, W.A, Zheng, N, Jiang, D, Gamal El-Din, T.M. | | Deposit date: | 2018-01-04 | | Release date: | 2018-05-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Structural basis for gating pore current in periodic paralysis.
Nature, 557, 2018
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9IXS
 | | Crystal structure of TEAD3 YAP binding domain with compound 1 | | Descriptor: | Transcriptional enhancer factor TEF-5, ~{N}-[(1~{S})-1-phenylethyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-isoquinoline-2-carboxamide | | Authors: | Yoo, Y. | | Deposit date: | 2024-07-29 | | Release date: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Structure-based optimization of TEAD inhibitors: Exploring a novel subpocket near Glu347 for the treatment of NF2-mutant cancer.
Bioorg.Chem., 159, 2025
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9OFV
 | | Consensus reconstruction of the eukaryotic Ribosome-associated Quality Control complex | | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Li, W, Cahoon, T, Shen, P.S. | | Deposit date: | 2025-04-30 | | Release date: | 2025-06-11 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Mechanism of nascent chain removal by the ribosome-associated quality control complex.
Nat Commun, 16, 2025
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3EAD
 | | Crystal structure of CALX-CBD1 | | Descriptor: | CALCIUM ION, GLYCEROL, Na/Ca exchange protein | | Authors: | Zheng, L, Wang, M. | | Deposit date: | 2008-08-25 | | Release date: | 2009-09-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structures of progressive Ca2+ binding states of the Ca2+ sensor Ca2+ binding domain 1 (CBD1) from the CALX Na+/Ca2+ exchanger reveal incremental conformational transitions.
J.Biol.Chem., 285, 2010
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6C3U
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9NO7
 | | Cryo-EM structure of the wild-type Thermus thermophilus 70S ribosome in complex with mRNA, A-site Q230-N5-methylated Release Factor 1, and P-site 2'-deoxy-A76-fMEAAAKC-peptidyl-tRNAcys at 2.13A resolution | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Aleksandrova, E.V, Syroegin, E.A, Basu, R.S, Vassilevski, A.A, Gagnon, M.G, Polikanov, Y.S. | | Deposit date: | 2025-03-08 | | Release date: | 2025-06-18 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.13 Å) | | Cite: | Mechanism of release factor-mediated peptidyl-tRNA hydrolysis on the ribosome.
Science, 388, 2025
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4I40
 | | crystal structure of Staphylococcal inositol monophosphatase-1: 50mM LiCl inhibited complex | | Descriptor: | GLYCEROL, Inositol monophosphatase family protein, MAGNESIUM ION, ... | | Authors: | Dutta, A, Bhattacharyya, S, Dutta, D, Das, A.K. | | Deposit date: | 2012-11-27 | | Release date: | 2013-11-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase.
Febs J., 281, 2014
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6S4B
 | | Crystal Structure of BRD4(1) bound to inhibitor BUX1 (8) | | Descriptor: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, CALCIUM ION, ... | | Authors: | Huegle, M. | | Deposit date: | 2019-06-27 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
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9OVJ
 | | Structure of human SHOC2 in complex with a small molecule inhibitor (R)-5 | | Descriptor: | (2R)-{2-[(4-chloro[1,1'-biphenyl]-3-yl)methoxy]phenyl}[(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)amino]acetic acid, Leucine-rich repeat protein SHOC-2, POTASSIUM ION | | Authors: | Dhembi, A, Hauseman, Z.J, King, D. | | Deposit date: | 2025-05-30 | | Release date: | 2025-06-25 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Targeting the SHOC2-RAS interaction in RAS-mutant cancers.
Nature, 642, 2025
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7Z9T
 | | Crystal structure of p38alpha C162S in complex with ATPgS and CAS 2094667-81-7 (in catalytic site, Y35 out), P 1 21 1 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide | | Authors: | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | | Deposit date: | 2022-03-21 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway.
Nat Commun, 14, 2023
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3EDZ
 | | Crystal structure of catalytic domain of TACE with hydroxamate inhibitor | | Descriptor: | ADAM 17, CITRIC ACID, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | | Authors: | Mazzola, R.D, Zhu, Z, Sinning, L, McKittrick, B, Lavey, B, Spitler, J, Kozlowski, J, Neng-Yang, S, Zhou, G, Guo, Z, Orth, P, Madison, V, Sun, J, Lundell, D, Niu, X. | | Deposit date: | 2008-09-03 | | Release date: | 2008-09-23 | | Last modified: | 2024-10-30 | | 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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6S1V
 | | Crystal structure of dimeric M-PMV protease D26N mutant in complex with inhibitor | | Descriptor: | Gag-Pro-Pol polyprotein, PRO-0A1-VAL-PSA-ALA-MET-THR | | Authors: | Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I. | | Deposit date: | 2019-06-19 | | Release date: | 2019-10-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Comparison of a retroviral protease in monomeric and dimeric states.
Acta Crystallogr D Struct Biol, 75, 2019
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2Q3W
 | | Ensemble refinement of the protein crystal structure of the cys84ala cys85ala double mutant of the [2Fe-2S] ferredoxin subunit of toluene-4-monooxygenase from Pseudomonas mendocina KR1 | | Descriptor: | 1,2-ETHANEDIOL, FE2/S2 (INORGANIC) CLUSTER, MAGNESIUM ION, ... | | Authors: | Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2007-05-30 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
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3EMZ
 | | Crystal structure of xylanase XynB from Paenibacillus barcinonensis complexed with a conduramine derivative | | Descriptor: | (1S,2S,3R,6R)-6-[(4-phenoxybenzyl)amino]cyclohex-4-ene-1,2,3-triol, Endo-1,4-beta-xylanase | | Authors: | Sanz-Aparicio, J, Isorna, P. | | Deposit date: | 2008-09-25 | | Release date: | 2009-09-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural insights into the specificity of Xyn10B from Paenibacillus barcinonensis and its improved stability by forced protein evolution.
J.Biol.Chem., 285, 2010
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6S6K
 | | Crystal Structure of BRD4(1) bound to inhibitor BUX2 (9) | | Descriptor: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | | Authors: | Huegle, M. | | Deposit date: | 2019-07-03 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
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7DKS
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2PWW
 | | Crystal structure of ABC2387 from Bacillus clausii | | Descriptor: | 1,2-ETHANEDIOL, Uncharacterized protein | | Authors: | Ramagopal, U.A, Freeman, J, Lau, C, Toro, R, Bain, K, Rodgers, L, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-05-14 | | Release date: | 2007-05-22 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal structure of ABC2387 from Bacillus clausii.
To be Published
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6DVO
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with Bavarostat | | Descriptor: | 1,2-ETHANEDIOL, 3-fluoro-N-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide, Hdac6 protein, ... | | Authors: | Porter, N.J, Christianson, D.W. | | Deposit date: | 2018-06-24 | | Release date: | 2018-08-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.
J. Med. Chem., 61, 2018
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1A4V
 | | ALPHA-LACTALBUMIN | | Descriptor: | ALPHA-LACTALBUMIN, CALCIUM ION | | Authors: | Chandra, N, Acharya, K.R. | | Deposit date: | 1998-02-05 | | Release date: | 1999-04-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural evidence for the presence of a secondary calcium binding site in human alpha-lactalbumin.
Biochemistry, 37, 1998
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5XNA
 | | Crystal structure of a secretary abundant heat soluble (SAHS) protein from Ramazzottius varieornatus (from dimer sample) | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Fukuda, Y, Miura, Y, Mizohata, E, Inoue, T. | | Deposit date: | 2017-05-19 | | Release date: | 2017-07-26 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Structural insights into a secretory abundant heat-soluble protein from an anhydrobiotic tardigrade, Ramazzottius varieornatus
FEBS Lett., 591, 2017
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5APH
 | | Ligand complex of RORg LBD | | Descriptor: | DIMETHYL SULFOXIDE, N-(2-FLUOROPHENYL)-4-[(4-FLUOROPHENYL)SULFONYL]-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-6-AMINE, NUCLEAR RECEPTOR COACTIVATOR 2, ... | | Authors: | Xue, Y, Aagaard, A, Narjes, F. | | Deposit date: | 2015-09-16 | | Release date: | 2015-11-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma.
ChemMedChem, 11, 2016
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3EKE
 | | Crystal structure of IBV X-domain at pH 5.6 | | Descriptor: | L(+)-TARTARIC ACID, Non-structural protein 3 | | Authors: | Piotrowski, Y, Hansen, G, Hilgenfeld, R. | | Deposit date: | 2008-09-19 | | Release date: | 2008-09-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of the X-domains of a Group-1 and a Group-3 coronavirus reveal that ADP-ribose-binding may not be a conserved property.
Protein Sci., 18, 2009
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2PJV
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