5EP0
 
 | | Quorum-Sensing Signal Integrator LuxO - Receiver+Catalytic Domains | | Descriptor: | 1,2-ETHANEDIOL, Putative repressor protein luxO, SULFATE ION | | Authors: | Shah, T, Selcuk, H.B, Jeffrey, P.D, Hughson, F.M. | | Deposit date: | 2015-11-11 | | Release date: | 2016-04-20 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO.
Plos Biol., 14, 2016
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6JP7
 | | Human antibody 32D6 Fab in complex with PEG | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, HEXAETHYLENE GLYCOL, immunoglobulin Fab heavy chain, ... | | Authors: | Lee, C.C, Ko, T.P, Lin, L.L, Wang, A.H.J. | | Deposit date: | 2019-03-26 | | Release date: | 2020-02-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.909 Å) | | Cite: | Structural basis of polyethylene glycol recognition by antibody.
J.Biomed.Sci., 27, 2020
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1ROV
 | | Lipoxygenase-3 Treated with Cumene Hydroperoxide | | Descriptor: | FE (III) ION, Seed lipoxygenase-3 | | Authors: | Vahedi-Faridi, A, Brault, P.A, Shah, P, Kim, Y.W, Dunham, W.R, Funk, M.O. | | Deposit date: | 2003-12-02 | | Release date: | 2004-03-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Interaction between non-heme iron of lipoxygenases and cumene hydroperoxide: basis for enzyme activation, inactivation, and inhibition
J.Am.Chem.Soc., 126, 2004
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5EPW
 | | C-Terminal Domain Of Human Coronavirus Nl63 Nucleocapsid Protein | | Descriptor: | Nucleoprotein | | Authors: | Szelazek, B, Kabala, W, Kus, K, Zdzalik, M, Golik, P, Florek, D, Burmistrz, M, Pyrc, K, Dubin, G. | | Deposit date: | 2015-11-12 | | Release date: | 2017-02-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Characterization of Human Coronavirus NL63 N Protein.
J. Virol., 91, 2017
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6FUI
 | | Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol | | Descriptor: | (1~{R},2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid, Complement factor D | | Authors: | Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S. | | Deposit date: | 2018-02-27 | | Release date: | 2018-06-06 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
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6FV0
 | | Crystal structure of the TPR domain of KLC1 in complex with the C-terminal peptide of torsinA | | Descriptor: | DI(HYDROXYETHYL)ETHER, Kinesin light chain 1,Torsin-1A, nanobody | | Authors: | Pernigo, S, Dodding, M.P, Steiner, R.A. | | Deposit date: | 2018-02-28 | | Release date: | 2018-03-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural basis for isoform-specific kinesin-1 recognition of Y-acidic cargo adaptors.
Elife, 7, 2018
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2FV9
 | | Crystal structure of TACE in complex with JMV 390-1 | | Descriptor: | ADAM 17, N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | | Authors: | Orth, P. | | Deposit date: | 2006-01-30 | | Release date: | 2006-03-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Stabilization of the autoproteolysis of TNF-alpha converting enzyme (TACE) results in a novel crystal form suitable for structure-based drug design studies.
Protein Eng.Des.Sel., 19, 2006
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3PTG
 | | Design and Synthesis of a Novel, Orally Efficacious Tri-substituted Thiophene Based JNK Inhibitor | | Descriptor: | C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 10, N-[4-methyl-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | | Authors: | Bowers, S, Truong, A.P, Neitz, J, Neitzel, M, Probst, G.D, Hom, R.K, Konradi, A.W, Sham, H.L, Toth, G, Pan, H, Yao, N, Artis, D.R, Brigham, E.F, Quinn, K.P, Sauer, J, Powell, K, Ruslim, L, Bard, F, Yednock, T.A, Griswold-Prenner, I. | | Deposit date: | 2010-12-02 | | Release date: | 2011-03-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Design and synthesis of a novel, orally active, brain penetrant, tri-substituted thiophene based JNK inhibitor.
Bioorg.Med.Chem.Lett., 21, 2011
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6G2X
 | | Crystal structure of the p97 D2 domain in a helical split-washer conformation | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ... | | Authors: | Stach, L, Morgan, R.M.L, Freemont, P.S. | | Deposit date: | 2018-03-23 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.078 Å) | | Cite: | Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding.
Febs Lett., 594, 2020
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1RSV
 | | azide complex of the diferrous E238A mutant R2 subunit of ribonucleotide reductase | | Descriptor: | AZIDE ION, FE (III) ION, MERCURY (II) ION, ... | | Authors: | Assarsson, M, Andersson, M.E, Hogbom, M, Persson, B.O, Sahlin, M, Barra, A.L, Sjoberg, B.M, Nordlund, P, Graslund, A. | | Deposit date: | 2003-12-10 | | Release date: | 2003-12-23 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Restoring proper radical generation by azide binding to the iron site of the E238A mutant R2 protein of ribonucleotide reductase from Escherichia coli.
J.Biol.Chem., 276, 2001
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1FS9
 | | CYTOCHROME C NITRITE REDUCTASE FROM WOLINELLA SUCCINOGENES-AZIDE COMPLEX | | Descriptor: | AZIDE ION, CALCIUM ION, CYTOCHROME C NITRITE REDUCTASE, ... | | Authors: | Einsle, O, Stach, P, Messerschmidt, A, Simon, J, Kroeger, A, Huber, R, Kroneck, P.M.H. | | Deposit date: | 2000-09-08 | | Release date: | 2001-01-17 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cytochrome c nitrite reductase from Wolinella succinogenes. Structure at 1.6 A resolution, inhibitor binding, and heme-packing motifs.
J.Biol.Chem., 275, 2000
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1RTE
 | | X-ray Structure of Cyanide Derivative of Truncated Hemoglobin N (trHbN) from Mycobacterium Tuberculosis | | Descriptor: | CYANIDE ION, Hemoglobin-like protein HbN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Milani, M, Guertin, M, Boffi, A, Antonini, G, Bocedi, A, Mattu, M, Bolognesi, M, Ascenzi, P. | | Deposit date: | 2003-12-10 | | Release date: | 2004-07-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cyanide binding to truncated hemoglobins: a crystallographic and kinetic study
Biochemistry, 43, 2004
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3CMV
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6BT4
 | | Crystal structure of the SLH domain of Sap from Bacillus anthracis in complex with a pyruvylated SCWP unit | | Descriptor: | 2-(acetylamino)-4-O-{2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl}-2-deoxy-beta-D-glucopyranose, S-layer protein sap, SULFATE ION | | Authors: | Sychantha, D, Chapman, R.N, Bamford, N.C, Boons, G.J, Howell, P.L, Clarke, A.J. | | Deposit date: | 2017-12-05 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.306 Å) | | Cite: | Molecular Basis for the Attachment of S-Layer Proteins to the Cell Wall of Bacillus anthracis.
Biochemistry, 57, 2018
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3CPC
 | | Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor | | Descriptor: | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one, Vascular endothelial growth factor receptor 2 | | Authors: | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | | Deposit date: | 2008-03-31 | | Release date: | 2008-06-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit.
J.Med.Chem., 51, 2008
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3ZLU
 | | Crystal structure of mouse acetylcholinesterase in complex with cyclosarin | | Descriptor: | (2-hydroxyethoxy)acetaldehyde, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, ACETYLCHOLINESTERASE | | Authors: | Artursson, E, Andersson, P.O, Akfur, C, Linusson, A, Borjegren, S, Ekstrom, F. | | Deposit date: | 2013-02-04 | | Release date: | 2013-03-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Catalytic-Site Conformational Equilibrium in Nerve-Agent Adducts of Acetylcholinesterase; Possible Implications for the Hi-6 Antidote Substrate Specificity.
Biochem.Pharmacol., 85, 2013
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6BT9
 | | Chitinase ChiA74 from Bacillus thuringiensis | | Descriptor: | CALCIUM ION, Chitinase | | Authors: | Juarez-Hernandez, E, Brieba, L.G, Torres-Larios, A, Jimenez-Sandoval, P, Barboza-Corona, J. | | Deposit date: | 2017-12-05 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | The crystal structure of the chitinase ChiA74 of Bacillus thuringiensis has a multidomain assembly.
Sci Rep, 9, 2019
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1R7T
 | | Glycosyltransferase A in complex with 3-deoxy-acceptor analog inhibitor | | Descriptor: | Glycoprotein-fucosylgalactoside alpha-N-acetylgalactosaminyltransferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-hexyl 3-deoxy-beta-D-galactopyranoside | | Authors: | Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V. | | Deposit date: | 2003-10-22 | | Release date: | 2004-02-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases
J.Biol.Chem., 278, 2003
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5YN5
 | | Crystal structure of MERS-CoV nsp10/nsp16 complex | | Descriptor: | ZINC ION, nsp10 protein, nsp16 protein | | Authors: | Wei, S.M, Yang, L, Ke, Z.H, Guo, D.Y, Fan, C.P. | | Deposit date: | 2017-10-24 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex
To Be Published
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6J7E
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4L8W
 | | Crystal structure of gamma glutamyl hydrolase (H218N) from zebrafish complex with MTX polyglutamate | | Descriptor: | D-GLUTAMIC ACID, Gamma-glutamyl hydrolase, METHOTREXATE | | Authors: | Chuankhayan, P, Kao, T.-T, Chen, C.-J, Fu, T.-F. | | Deposit date: | 2013-06-18 | | Release date: | 2014-05-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structural insights into the hydrolysis and polymorphism of methotrexate polyglutamate by zebrafish gamma-glutamyl hydrolase
J.Med.Chem., 56, 2013
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1FEU
 | | CRYSTAL STRUCTURE OF RIBOSOMAL PROTEIN TL5, ONE OF THE CTC FAMILY PROTEINS, COMPLEXED WITH A FRAGMENT OF 5S RRNA. | | Descriptor: | 19 NT FRAGMENT OF 5S RRNA, 21 NT FRAGMENT OF 5S RRNA, 50S RIBOSOMAL PROTEIN L25, ... | | Authors: | Fedorov, R.V, Meshcheryakov, V.A, Gongadze, G.M, Fomenkova, N.P, Nevskaya, N.A, Selmer, M, Laurberg, M, Kristensen, O, Al-Karadaghi, S, Liljas, A, Garber, M.B, Nikonov, S.V. | | Deposit date: | 2000-07-23 | | Release date: | 2001-06-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of ribosomal protein TL5 complexed with RNA provides new insights into the CTC family of stress proteins.
Acta Crystallogr.,Sect.D, 57, 2001
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6C0G
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2VSO
 | | Crystal Structure of a Translation Initiation Complex | | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP-DEPENDENT RNA HELICASE EIF4A, EUKARYOTIC INITIATION FACTOR 4F SUBUNIT P150 | | Authors: | Schutz, P, Bumann, M, Oberholzer, A.E, Bieniossek, C, Altmann, M, Trachsel, H, Baumann, U. | | Deposit date: | 2008-04-28 | | Release date: | 2008-06-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of the Yeast Eif4A-Eif4G Complex: An RNA-Helicase Controlled by Protein-Protein Interactions.
Proc.Natl.Acad.Sci.USA, 105, 2008
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3ZT0
 | | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | | Descriptor: | (4-CARBOXY-1,3-BENZODIOXOL-5-YL)-N-{2-[(4-METHOXYBENZYL)CARBAMOYL]BENZYL}-N-METHYLMETHANAMINIUM, INTEGRASE, SULFATE ION | | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | | Deposit date: | 2011-07-01 | | Release date: | 2012-07-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
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