5I9X
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with bosutinib (SKI-606) | Descriptor: | 1,2-ETHANEDIOL, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2016-02-21 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.427 Å) | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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2YNC
| Plasmodium vivax N-myristoyltransferase in complex with YnC12-CoA thioester. | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | Authors: | Wright, M.H, Clough, B, Rackham, M.D, Brannigan, J.A, Grainger, M, Bottrill, A.R, Heal, W.P, Broncel, M, Serwa, R.A, Mann, D, Leatherbarrow, R.J, Wilkinson, A.J, Holder, A.A, Tate, E.W. | Deposit date: | 2012-10-13 | Release date: | 2014-01-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Validation of N-Myristoyltransferase as an Antimalarial Drug Target Using an Integrated Chemical Biology Approach. Nat.Chem., 6, 2014
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4CRF
| Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | Descriptor: | CHLORIDE ION, Coagulation factor XIa light chain, GLYCEROL, ... | Authors: | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | Deposit date: | 2014-02-26 | Release date: | 2015-02-11 | Last modified: | 2022-05-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design. Plos One, 10, 2015
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2R2D
| Structure of a quorum-quenching lactonase (AiiB) from Agrobacterium tumefaciens | Descriptor: | GLYCEROL, PHOSPHATE ION, ZINC ION, ... | Authors: | Liu, D, Thomas, P.W, Momb, J, Hoang, Q, Petsko, G.A, Ringe, D, Fast, W. | Deposit date: | 2007-08-24 | Release date: | 2007-10-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and specificity of a quorum-quenching lactonase (AiiB) from Agrobacterium tumefaciens. Biochemistry, 46, 2007
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2Z6D
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5IA2
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with compound 66 | Descriptor: | 1,2-ETHANEDIOL, 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2016-02-21 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.619 Å) | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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2Z6C
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1N15
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6SHN
| Escherichia coli AGPase in complex with FBP. Symmetry C1 | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Glucose-1-phosphate adenylyltransferase | Authors: | Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E. | Deposit date: | 2019-08-07 | Release date: | 2020-02-05 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM. Curr Res Struct Biol, 2, 2020
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4X5Z
| menin in complex with MI-136 | Descriptor: | 1,2-ETHANEDIOL, 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J. | Deposit date: | 2014-12-06 | Release date: | 2015-04-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Pharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo. Cancer Cell, 27, 2015
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5G5M
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5G5C
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1ZYT
| Crystal structure of spin labeled T4 Lysozyme (A82R1) | Descriptor: | 2-HYDROXYETHYL DISULFIDE, AZIDE ION, CHLORIDE ION, ... | Authors: | Fleissner, M.R, Cascio, D, Sawaya, M.R, Hideg, K, Hubbell, W.L. | Deposit date: | 2005-06-10 | Release date: | 2006-08-15 | Last modified: | 2023-10-25 | Method: | EPR (1.7 Å), X-RAY DIFFRACTION | Cite: | Structural origin of weakly ordered nitroxide motion in spin-labeled proteins Protein Sci., 18, 2009
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5G59
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2X2B
| Crystal structure of malonyl-ACP (acyl carrier protein) from Bacillus subtilis | Descriptor: | 3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid, ACYL CARRIER PROTEIN, PLATINUM (II) ION | Authors: | Bellinzoni, M, Martinez, M.A, DeMendoza, D, Alzari, P.M. | Deposit date: | 2010-01-12 | Release date: | 2010-03-16 | Last modified: | 2011-10-12 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | A Novel Role of Malonyl-Acp in Lipid Homeostasis. Biochemistry, 49, 2010
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7B5F
| Structure of echovirus 18 in complex with neonatal Fc receptor | Descriptor: | Beta-2-microglobulin, Echovirus 18 viral protein 1, Echovirus 18 viral protein 2, ... | Authors: | Buchta, D, Levdansky, Y, Fuzik, T, Mukhamedova, L, Moravcova, J, Hrebik, D, Andersen, J.T, Plevka, P. | Deposit date: | 2020-12-03 | Release date: | 2022-01-12 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure of echovirus 18 in complex with neonatal Fc receptor To Be Published
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4ZX2
| Co-crystal structures of PP5 in complex with 5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid | Descriptor: | (1S,2R,3S,4R,5S)-5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | Authors: | Chattopadhyay, D, Swingle, M.R, Salter, E.A, Wierzbicki, A, Honkanen, R.E. | Deposit date: | 2015-05-19 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Crystal structures and mutagenesis of PPP-family ser/thr protein phosphatases elucidate the selectivity of cantharidin and novel norcantharidin-based inhibitors of PP5C. Biochem. Pharmacol., 109, 2016
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2Q7W
| Structural Studies Reveals the Inactivation of E. coli L-aspartate aminotransferase (S)-4,5-amino-dihydro-2-thiophenecarboxylic acid (SADTA) via two mechanisms at pH 6.0 | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ... | Authors: | Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D. | Deposit date: | 2007-06-07 | Release date: | 2007-09-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Inactivation of Escherichia coli l-Aspartate Aminotransferase by (S)-4-Amino-4,5-dihydro-2-thiophenecarboxylic Acid Reveals "A Tale of Two Mechanisms". Biochemistry, 46, 2007
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2E9B
| Crystal structure of pullulanase type I from Bacillus subtilis str. 168 complexed with maltose | Descriptor: | ACETATE ION, AmyX protein, CALCIUM ION, ... | Authors: | Mikami, B, Malle, D, Utsumi, S, Iwamoto, H, Katsuya, Y. | Deposit date: | 2007-01-24 | Release date: | 2008-02-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of pullulanase type I from Bacillus subtilis str. 168 in complex with maltose and alpha-cyclodextrin To be Published
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2Q9N
| 4-Substituted Trinems as Broad Spectrum-Lactamase Inhibitors: Structure-based Design, Synthesis and Biological Activity | Descriptor: | (1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORMYLPROPYL]-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID, Beta-lactamase | Authors: | Plantan, I, Selic, L, Mesar, T, Stefanic Anderluh, P, Oblak, M, Prezelj, A, Hesse, L, Andrejasic, M, Vilar, M, Turk, D, Kocijan, A, Prevec, T, Vilfan, G, Kocjan, D, Copar, A, Urleb, U, Solmajer, T. | Deposit date: | 2007-06-13 | Release date: | 2007-08-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 4-Substituted Trinems as Broad Spectrum beta-Lactamase Inhibitors: Structure-Based Design, Synthesis, and Biological Activity J.Med.Chem., 50, 2007
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2E8Z
| Crystal structure of pullulanase type I from Bacillus subtilis str. 168 complexed with alpha-cyclodextrin | Descriptor: | ACETATE ION, AmyX protein, CALCIUM ION, ... | Authors: | Mikami, B, Malle, D, Utsumi, S, Iwamoto, H, Katsuya, Y. | Deposit date: | 2007-01-24 | Release date: | 2008-02-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of pullulanase type I from Bacillus subtilis str. 168 in complex with maltose and alpha-cyclodextrin To be Published
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2QB2
| Structural Studies Reveal the Inactivation of E. coli L-aspartate aminotransferase by (s)-4,5-dihydro-2thiophenecarboylic acid (SADTA) via two mechanisms (at pH 7.0). | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ... | Authors: | Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D. | Deposit date: | 2007-06-15 | Release date: | 2007-12-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Inactivation of Escherichia coli L-aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-thiophenecarboxylic acid reveals "a tale of two mechanisms". Biochemistry, 46, 2007
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5J36
| Crystal structure of 60-mer BFDV Capsid Protein | Descriptor: | Beak and feather disease virus capsid protein, PHOSPHATE ION | Authors: | Sarker, S, Raidal, S, Aragao, D, Forwood, J.K. | Deposit date: | 2016-03-30 | Release date: | 2016-05-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural insights into the assembly and regulation of distinct viral capsid complexes. Nat Commun, 7, 2016
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1EOV
| FREE ASPARTYL-TRNA SYNTHETASE (ASPRS) (E.C. 6.1.1.12) FROM YEAST | Descriptor: | ASPARTYL-TRNA SYNTHETASE | Authors: | Sauter, C, Lorber, B, Cavarelli, J, Moras, D, Giege, R. | Deposit date: | 2000-03-24 | Release date: | 2000-09-24 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The free yeast aspartyl-tRNA synthetase differs from the tRNA(Asp)-complexed enzyme by structural changes in the catalytic site, hinge region, and anticodon-binding domain. J.Mol.Biol., 299, 2000
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3ZM5
| CRYSTAL STRUCTURE OF MURF LIGASE IN COMPLEX WITH CYANOTHIOPHENE INHIBITOR | Descriptor: | 2,4-bis(chloranyl)-N-[3-cyano-6-[(4-hydroxyphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-5-morpholin-4-ylsulfonyl-benzamide, UDP-N-ACETYLMURAMOYL-TRIPEPTIDE--D-ALANYL-D-ALANINE LIGASE | Authors: | Hrast, M, Turk, S, Sosic, I, Knez, D, Randall, C.P, Barreteau, H, Contreras-Martel, C, Dessen, A, ONeill, A.J, Mengin-Lecreulx, D, Blanot, D, Gobec, S. | Deposit date: | 2013-02-05 | Release date: | 2013-07-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Structure-Activity Relationships of New Cyanothiophene Inhibitors of the Essential Peptidoglycan Biosynthesis Enzyme Murf. Eur.J.Med.Chem., 66C, 2013
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