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181L	SPECIFICITY OF LIGAND BINDING IN A BURIED NON-POLAR CAVITY OF T4 LYSOZYME: LINKAGE OF DYNAMICS AND STRUCTURAL PLASTICITY Descriptor: 2-HYDROXYETHYL DISULFIDE, BENZENE, CHLORIDE ION, ... Authors: Morton, A, Matthews, B.W. Deposit date: 1995-04-19 Release date: 1995-07-10 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Specificity of ligand binding in a buried nonpolar cavity of T4 lysozyme: linkage of dynamics and structural plasticity. Biochemistry, 34, 1995
188L	SPECIFICITY OF LIGAND BINDING IN A BURIED NON-POLAR CAVITY OF T4 LYSOZYME: LINKAGE OF DYNAMICS AND STRUCTURAL PLASTICITY Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, ORTHO-XYLENE, ... Authors: Morton, A, Matthews, B.W. Deposit date: 1995-04-19 Release date: 1995-07-10 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Specificity of ligand binding in a buried nonpolar cavity of T4 lysozyme: linkage of dynamics and structural plasticity. Biochemistry, 34, 1995
8BF1	High-resolution structure of unliganded PPAR gamma in complex with the peptide PGC-1 alpha Descriptor: Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha Authors: Useini, A, Straeter, N. Deposit date: 2022-10-23 Release date: 2023-03-08 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.36 Å) Cite: Structural basis of the activation of PPAR gamma by the plasticizer metabolites MEHP and MINCH. Environ Int, 173, 2023
4YIT	Crystal Structure of LAGLIDADG Meganuclease I-AabMI Bound to Uncleaved DNA Descriptor: CALCIUM ION, DNA (25-MER), DNA (25MER), ... Authors: Hallinan, J.P, Stoddard, B.L. Deposit date: 2015-03-02 Release date: 2016-03-23 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (3.24 Å) Cite: Indirect DNA Sequence Recognition and Its Impact on Nuclease Cleavage Activity. Structure, 24, 2016
7WJV	Crystal structure of human liver FBPase complexed with an covalent inhibitor Descriptor: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... Authors: Cao, H, Huang, Y, Ren, Y, Wan, J. Deposit date: 2022-01-08 Release date: 2022-07-13 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.724 Å) Cite: N -Acylamino Saccharin as an Emerging Cysteine-Directed Covalent Warhead and Its Application in the Identification of Novel FBPase Inhibitors toward Glucose Reduction. J.Med.Chem., 65, 2022
8BF2	Human PPARgamma in complex with MEHP bound to the AF-2 and omega sub-pockets Descriptor: 2-[(2~{S})-2-ethylhexoxy]carbonylbenzoic acid, Peroxisome proliferator-activated receptor gamma Authors: Useini, A, Straeter, N. Deposit date: 2022-10-23 Release date: 2023-03-08 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.18 Å) Cite: Structural basis of the activation of PPAR gamma by the plasticizer metabolites MEHP and MINCH. Environ Int, 173, 2023
6ZOZ	Structure of Disulphide-stabilized SARS-CoV-2 Spike Protein Trimer (x1 disulphide-bond mutant, S383C, D985C, K986P, V987P, single Arg S1/S2 cleavage site) in Locked State Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ... Authors: Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G. Deposit date: 2020-07-08 Release date: 2020-07-22 Last modified: 2022-03-02 Method: ELECTRON MICROSCOPY (3.5 Å) Cite: A thermostable, closed SARS-CoV-2 spike protein trimer. Nat.Struct.Mol.Biol., 27, 2020
2XHY	Crystal Structure of E.coli BglA Descriptor: 6-PHOSPHO-BETA-GLUCOSIDASE BGLA, BROMIDE ION, SULFATE ION Authors: Totir, M, Zubieta, C, Echols, N, May, A.P, Gee, C.L, nanao, M, alber, T. Deposit date: 2010-06-24 Release date: 2011-07-06 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Macro-to-Micro Structural Proteomics: Native Source Proteins for High-Throughput Crystallization. Plos One, 7, 2012
4Y85	Crystal structure of COT kinase domain in complex with 5-(5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine Descriptor: 5-[5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine, Mitogen-activated protein kinase kinase kinase 8 Authors: Gutmann, S, Hinniger, A. Deposit date: 2015-02-16 Release date: 2015-05-06 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.33 Å) Cite: The Crystal Structure of Cancer Osaka Thyroid Kinase Reveals an Unexpected Kinase Domain Fold. J.Biol.Chem., 290, 2015
2XTD	Structure of the TBL1 tetramerisation domain Descriptor: TBL1 F-BOX-LIKE/WD REPEAT-CONTAINING PROTEIN TBL1X Authors: Oberoi, J, Fairall, L, Watson, P.J, Greenwood, J.A, Schwabe, J.W.R. Deposit date: 2010-10-06 Release date: 2011-01-19 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Structural Basis for the Assembly of the Smrt/Ncor Core Transcriptional Repression Machinery. Nat.Struct.Mol.Biol., 18, 2011
1PMC	PROTEINASE INHIBITOR PMP-C (NMR, 36 STRUCTURES) Descriptor: PROTEINASE INHIBITOR PMP-C Authors: Mer, G, Hietter, H, Lefevre, J.-F. Deposit date: 1995-09-17 Release date: 1996-01-29 Last modified: 2022-02-23 Method: SOLUTION NMR Cite: Solution structure of PMP-C: a new fold in the group of small serine proteinase inhibitors. J.Mol.Biol., 258, 1996
5XQU	Crystal structure of Notched-fin eelpout type III antifreeze protein A20I mutant (NFE6, AFP), P212121 form Descriptor: Ice-structuring protein Authors: Adachi, M, Shimizu, R, Shibazaki, C, Kondo, H, Tsuda, S. Deposit date: 2017-06-07 Release date: 2018-05-16 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1 Å) Cite: Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6Z9J	Escherichia coli D-2-deoxyribose-5-phosphate aldolase - N21K mutant Descriptor: Deoxyribose-phosphate aldolase, MAGNESIUM ION Authors: Paakkonen, J, Hakulinen, N, Rouvinen, J. Deposit date: 2020-06-04 Release date: 2020-11-18 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Substrate specificity of 2-deoxy-D-ribose 5-phosphate aldolase (DERA) assessed by different protein engineering and machine learning methods. Appl.Microbiol.Biotechnol., 104, 2020
5XQZ	Structure of the MOB1-NDR2 complex Descriptor: GLYCEROL, MOB kinase activator 1A, Serine/threonine-protein kinase 38-like, ... Authors: Wu, G, Lin, K. Deposit date: 2017-06-07 Release date: 2018-08-29 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Stable MOB1 interaction with Hippo/MST is not essential for development and tissue growth control. Nat Commun, 8, 2017
4X66	Crystal Structure of 30S ribosomal subunit from Thermus thermophilus Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... Authors: Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D. Deposit date: 2014-12-06 Release date: 2015-11-18 Last modified: 2019-12-25 Method: X-RAY DIFFRACTION (3.446 Å) Cite: N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics. Nat.Struct.Mol.Biol., 23, 2016
5XOU	Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 7T8 on the guide strand Descriptor: DNA (5'-D(*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(P*TP*GP*AP*GP*GP*TP*AP*TP*GP*GP*TP*TP*GP*T)-3'), MAGNESIUM ION, ... Authors: Sheng, G, Wang, J, Zhao, H, Wang, Y. Deposit date: 2017-05-31 Release date: 2017-10-04 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.63 Å) Cite: Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes Nucleic Acids Res., 45, 2017
1PTQ	PROTEIN KINASE C DELTA CYS2 DOMAIN Descriptor: PROTEIN KINASE C DELTA TYPE, ZINC ION Authors: Zhang, G, Hurley, J.H. Deposit date: 1995-05-11 Release date: 1995-07-31 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Crystal structure of the cys2 activator-binding domain of protein kinase C delta in complex with phorbol ester. Cell(Cambridge,Mass.), 81, 1995
1PTR	PROTEIN KINASE C DELTA CYS2 DOMAIN COMPLEXED WITH PHORBOL-13-ACETATE Descriptor: 13-ACETYLPHORBOL, PROTEIN KINASE C DELTA TYPE, ZINC ION Authors: Zhang, G, Hurley, J.H. Deposit date: 1995-05-11 Release date: 1995-07-31 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structure of the cys2 activator-binding domain of protein kinase C delta in complex with phorbol ester. Cell(Cambridge,Mass.), 81, 1995
4WTX	Crystal structure of the fourth FnIII domain of integrin beta4 Descriptor: Integrin beta-4 Authors: Alonso-Garcia, N, Urien, H, Buey, R.M, de Pereda, J.M. Deposit date: 2014-10-30 Release date: 2015-02-11 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Combination of X-ray crystallography, SAXS and DEER to obtain the structure of the FnIII-3,4 domains of integrin alpha6beta4 Acta Crystallogr.,Sect.D, 71, 2015
4X0E	Structure of M. tuberculosis nicotinate mono nucleotide adenylyltransferase Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable nicotinate-nucleotide adenylyltransferase, SULFATE ION Authors: Zuccola, H.J, Ostermna, A.L. Deposit date: 2014-11-21 Release date: 2015-01-28 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.41 Å) Cite: Mycobacterial nicotinate mononucleotide adenylyltransferase: structure, mechanism, and implications for drug discovery. J. Biol. Chem., 290, 2015
4WV6	Heterodimer of Importin alpha 1 with nuclear localization signal of TAF8 Descriptor: 1,2-ETHANEDIOL, Importin subunit alpha-1, Transcription initiation factor TFIID subunit 8 Authors: Trowitzsch, S. Deposit date: 2014-11-04 Release date: 2015-01-28 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Cytoplasmic TAF2-TAF8-TAF10 complex provides evidence for nuclear holo-TFIID assembly from preformed submodules. Nat Commun, 6, 2015
8B6N	X-ray structure of the haloalkane dehalogenase HaloTag7 circular permutated at positions 141-156 (cpHaloTagDelta) Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Haloalkane dehalogenase Authors: Tarnawski, M, Johnsson, K, Hiblot, J. Deposit date: 2022-09-27 Release date: 2023-10-11 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Recording physiological history of cells with chemical labeling. Science, 383, 2024
4X2C	Clostridium difficile Fic protein_0569 mutant S31A, E35A Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fic family protein putative filamentation induced by cAMP protein, GLYCEROL, ... Authors: Jorgensen, R, Dedic, E. Deposit date: 2014-11-26 Release date: 2015-12-23 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure of Clostridium difficile Fic_0569 S31A, E35A mutant at 1.8 Angstroms resolution To Be Published
8B6P	X-ray structure of the haloalkane dehalogenase HaloTag7 circular permutated at positions 154-156 (cpHaloTag7_154-156) Descriptor: CHLORIDE ION, Haloalkane dehalogenase Authors: Tarnawski, M, Johnsson, K, Hiblot, J. Deposit date: 2022-09-27 Release date: 2023-10-11 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Recording physiological history of cells with chemical labeling. Science, 383, 2024
7Y6W	RRGSGG-AtPRT6 UBR box (I222) Descriptor: E3 ubiquitin-protein ligase PRT6, ZINC ION Authors: Kim, L, Song, H.K. Deposit date: 2022-06-21 Release date: 2023-07-05 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Structural analyses of plant PRT6-UBR box for Cys-Arg/N-degron pathway and insights into the plant submergence resistance To Be Published

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