5C90
 
 | | Staphylococcus aureus ClpP mutant - Y63A | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit | | Authors: | Ye, F, Liu, H, Zhang, J, Gan, J, Yang, C.-G. | | Deposit date: | 2015-06-26 | | Release date: | 2016-05-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Characterization of Gain-of-Function Mutant Provides New Insights into ClpP Structure
Acs Chem.Biol., 11, 2016
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5ZMP
 | | The structure of a lysine deacylase | | Descriptor: | ZINC ION, lysine deacylase | | Authors: | Ge, F. | | Deposit date: | 2018-04-05 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | The structure of a lysine deacylase
To Be Published
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5CAL
 | | EGFR kinase domain mutant "TMLR" with compound 24 | | Descriptor: | 2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide, Epidermal growth factor receptor | | Authors: | Eigenbrot, C, Yu, C. | | Deposit date: | 2015-06-29 | | Release date: | 2015-10-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
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4Z88
 | | SH3-II of Drosophila Rim-binding protein with Aplip1 peptide | | Descriptor: | JNK-interacting protein 1, PHOSPHATE ION, RIM-binding protein, ... | | Authors: | Driller, J.H, Holton, N, Siebert, M, Boehme, M.A, Wahl, M.C, Sigrist, S.J, Loll, B. | | Deposit date: | 2015-04-08 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | A high affinity RIM-binding protein/Aplip1 interaction prevents the formation of ectopic axonal active zones.
Elife, 4, 2015
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5CAX
 | | CRYSTAL STRUCTURE OF METHANOSARCINA ACETIVORANS METHANOREDOXIN | | Descriptor: | ACETIC ACID, CADMIUM ION, Glutaredoxin, ... | | Authors: | Yennawar, N.H, Yennawar, H.P, Ferry, G.J. | | Deposit date: | 2015-06-30 | | Release date: | 2016-02-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.451 Å) | | Cite: | Structural and Biochemical Characterizations of Methanoredoxin from Methanosarcina acetivorans, a Glutaredoxin-Like Enzyme with Coenzyme M-Dependent Protein Disulfide Reductase Activity.
Biochemistry, 55, 2016
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1K2H
 | | Three-dimensional Solution Structure of apo-S100A1. | | Descriptor: | S-100 protein, alpha chain | | Authors: | Rustandi, R.R, Baldisseri, D.M, Inman, K.G, Nizner, P, Hamilton, S.M, Landar, A, Landar, A, Zimmer, D.B, Weber, D.J. | | Deposit date: | 2001-09-27 | | Release date: | 2002-02-13 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of the calcium-signaling protein apo-S100A1 as determined by NMR.
Biochemistry, 41, 2002
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2G6L
 | | Structure of rat nNOS heme domain (BH2 bound) complexed with NO | | Descriptor: | 7,8-DIHYDROBIOPTERIN, ACETATE ION, ARGININE, ... | | Authors: | Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L. | | Deposit date: | 2006-02-24 | | Release date: | 2006-08-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural studies of constitutive nitric oxide synthases with diatomic ligands bound.
J.Biol.Inorg.Chem., 11, 2006
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4ZKT
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4Z98
 | | Crystal Structure of Hen Egg White Lysozyme using Serial X-ray Diffraction Data Collection | | Descriptor: | ACETATE ION, Lysozyme C | | Authors: | Murray, T.D, Lyubimov, A.Y, Ogata, C.M, Uervirojnangkoorn, M, Brunger, A.T, Berger, J.M. | | Deposit date: | 2015-04-10 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A high-transparency, micro-patternable chip for X-ray diffraction analysis of microcrystals under native growth conditions.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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1JFJ
 | | NMR SOLUTION STRUCTURE OF AN EF-HAND CALCIUM BINDING PROTEIN FROM ENTAMOEBA HISTOLYTICA | | Descriptor: | CALCIUM-BINDING PROTEIN | | Authors: | Atreya, H.S, Sahu, S.C, Bhattacharya, A, Chary, K.V.R, Govil, G. | | Deposit date: | 2001-06-20 | | Release date: | 2001-12-19 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | NMR derived solution structure of an EF-hand calcium-binding protein from Entamoeba Histolytica.
Biochemistry, 40, 2001
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2V9Y
 | | Human aminoimidazole ribonucleotide synthetase | | Descriptor: | PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE, SULFATE ION | | Authors: | Welin, M, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Herman, M.D, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-08-28 | | Release date: | 2007-09-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Studies of Tri-Functional Human Gart.
Nucleic Acids Res., 38, 2010
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2FNB
 | | NMR STRUCTURE OF THE FIBRONECTIN ED-B DOMAIN, NMR, 20 STRUCTURES | | Descriptor: | PROTEIN (FIBRONECTIN) | | Authors: | Fattorusso, R, Pellecchia, M, Viti, F, Neri, P, Neri, D, Wuthrich, K. | | Deposit date: | 1998-12-16 | | Release date: | 1998-12-23 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the human oncofoetal fibronectin ED-B domain, a specific marker for angiogenesis.
Structure Fold.Des., 7, 1999
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2VFP
 | | Low Temperature Structure of P22 Tailspike Protein Fragment (109-666), Mutant V349L | | Descriptor: | CALCIUM ION, GLYCEROL, P22 TAILSPIKE PROTEIN, ... | | Authors: | Becker, M, Mueller, J.J, Heinemann, U, Seckler, R. | | Deposit date: | 2007-11-05 | | Release date: | 2008-12-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
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4HXR
 | | Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]THIOPHENE-2-SULFONAMIDE inhibitor | | Descriptor: | Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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5C0C
 | | 1E6 TCR in complex with HLA-A02 carrying RQFGPDWIVA | | Descriptor: | 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ... | | Authors: | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | | Deposit date: | 2015-06-12 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.974 Å) | | Cite: | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
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5ZQD
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5C07
 | | 1E6 TCR in complex with HLA-A02 carrying YQFGPDFPIA | | Descriptor: | 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ... | | Authors: | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | | Deposit date: | 2015-06-12 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
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4ZQC
 | | Tryptophan Synthase from Salmonella typhimurium in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor in the alpha-site and a single F6F molecule in the beta-site at 1.54 Angstrom resolution. | | Descriptor: | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, DIMETHYL SULFOXIDE, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Hilario, E, Caulkins, B.G, Young, R.P, Dunn, M.F, Mueller, L.J, Fan, L. | | Deposit date: | 2015-05-08 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Visualizing the tunnel in tryptophan synthase with crystallography: Insights into a selective filter for accommodating indole and rejecting water.
Biochim.Biophys.Acta, 1864, 2016
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3E4P
 | | Crystal structure of malonate occupied DctB | | Descriptor: | C4-dicarboxylate transport sensor protein dctB, MALONIC ACID, STRONTIUM ION | | Authors: | Zhou, Y.F, Nan, J, Nan, B.Y, Liang, Y.H, Panjikar, S, Su, X.D. | | Deposit date: | 2008-08-12 | | Release date: | 2008-10-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | C4-dicarboxylates sensing mechanism revealed by the crystal structures of DctB sensor domain.
J.Mol.Biol., 383, 2008
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2VD7
 | | Crystal Structure of JMJD2A complexed with inhibitor Pyridine-2,4- dicarboxylic acid | | Descriptor: | JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROTEIN 3A, NICKEL (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, ... | | Authors: | Ng, S.S, von Delft, F, Pilka, E.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U. | | Deposit date: | 2007-10-01 | | Release date: | 2007-11-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases.
J. Med. Chem., 51, 2008
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5ZM3
 | | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AndA with preandiloid B | | Descriptor: | (6aS,8aR,12aS,12bR,13aR)-5,6a,9,9,12a,13a-hexamethyl-7,8,8a,9,11,12,12a,12b,13,13a-decahydro-3H-benzo[a]furo[3,4-j]xanthene-3,4,10(1H,6aH)-trione, 2-OXOGLUTARIC ACID, Dioxygenase andA, ... | | Authors: | Nakashima, Y, Senda, T. | | Deposit date: | 2018-04-01 | | Release date: | 2018-07-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural and Computational Bases for Dramatic Skeletal Rearrangement in Anditomin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
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5C22
 | | Crystal structure of Zn-bound HlyD from E. coli | | Descriptor: | Chromosomal hemolysin D, ZINC ION | | Authors: | Ha, N.C, Kim, J.S. | | Deposit date: | 2015-06-15 | | Release date: | 2016-02-17 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Crystal Structure of a Soluble Fragment of the Membrane Fusion Protein HlyD in a Type I Secretion System of Gram-Negative Bacteria
Structure, 24, 2016
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4I7Y
 | | Crystal Structure of Human Alpha Thrombin in Complex with a 27-mer Aptamer Bound to Exosite II | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, DNA (27-MER), ... | | Authors: | Pica, A, Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F. | | Deposit date: | 2012-12-01 | | Release date: | 2013-10-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Duplex-quadruplex motifs in a peculiar structural organization cooperatively contribute to thrombin binding of a DNA aptamer.
Acta Crystallogr.,Sect.D, 69, 2013
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2FIK
 | | Structure of a microbial glycosphingolipid bound to mouse CD1d | | Descriptor: | (2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-D-GALACTOPYRANOSIDURONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wu, D, Zajonc, D.M. | | Deposit date: | 2005-12-29 | | Release date: | 2006-03-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design of natural killer T cell activators: structure and function of a microbial glycosphingolipid bound to mouse CD1d.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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3E67
 | | Murine inos dimer with inhibitor 4-MAP bound | | Descriptor: | 4-METHYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-14 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
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