1HSM
 
 | | THE STRUCTURE OF THE HMG BOX AND ITS INTERACTION WITH DNA | | Descriptor: | BETA-MERCAPTOETHANOL, HIGH MOBILITY GROUP PROTEIN 1 | | Authors: | Read, C.M, Cary, P.D, Crane-Robinson, C, Driscoll, P.C, Carillo, M.O.M, Norman, D.G. | | Deposit date: | 1994-11-17 | | Release date: | 1995-02-07 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | The Structure of the Hmg Box and its Interaction with DNA
To be Published
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6C68
 | | MHC-independent t cell receptor A11 | | Descriptor: | T-cell receptor alpha chain, T-cell receptor beta chain | | Authors: | Lu, J, Van Laethem, F, Saba, I, Chu, J, Bhattacharya, A, Love, N.C, Tikhonova, A, Radaev, S, Sun, X, Ko, A, Arnon, T, Shifrut, E, Friedman, N, Weng, N, Singer, A, Sun, P.D. | | Deposit date: | 2018-01-18 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Structure of MHC-Independent TCRs and Their Recognition of Native Antigen CD155.
J Immunol., 204, 2020
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3NV4
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4NSB
 | | Crystal structure of the complex of signaling glycoprotein, SPB-40 and N-acetyl salicylic acid at 3.05 A resolution | | Descriptor: | 2-(ACETYLOXY)BENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 1 | | Authors: | Yamini, S, Chaudhary, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-11-28 | | Release date: | 2013-12-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Crystal structure of the complex of signaling glycoprotein, SPB-40 and N-acetyl salicylic acid at 3.05 A resolution
To be Published
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1IDX
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4AHC
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4OP3
 | | Human GKRP bound to AMG-5112 and Sorbitol-6-phosphate | | Descriptor: | (2S)-2-{6'-[(6-aminopyridin-3-yl)sulfonyl]-2'-(phenylamino)-2,3'-bipyridin-5-yl}-1,1,1-trifluoropropan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | | Authors: | Jordan, S.R, Chmait, S. | | Deposit date: | 2014-02-04 | | Release date: | 2014-07-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Small Molecule Disruptors of the Glucokinase-Glucokinase Regulatory Protein Interaction: 5. A Novel Aryl Sulfone Series, Optimization Through Conformational Analysis.
J.Med.Chem., 58, 2015
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4OIM
 | | Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT119 in 2.4 M acetate | | Descriptor: | 2-(2-CYANOPHENOXY)-5-HEXYLPHENOL, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | Deposit date: | 2014-01-20 | | Release date: | 2014-04-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.848 Å) | | Cite: | Time-Dependent Diaryl Ether Inhibitors of InhA: Structure-Activity Relationship Studies of Enzyme Inhibition, Antibacterial Activity, and in vivo Efficacy.
Chemmedchem, 9, 2014
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6D8V
 | | Methyl-accepting Chemotaxis protein X | | Descriptor: | 1,1-DIMETHYL-PROLINIUM, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Probable chemoreceptor (Methyl-accepting chemotaxis) transmembrane protein | | Authors: | Shrestha, M, Schubot, F.D. | | Deposit date: | 2018-04-27 | | Release date: | 2019-04-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the sensory domain of McpX fromSinorhizobium meliloti, the first known bacterial chemotactic sensor for quaternary ammonium compounds.
Biochem. J., 475, 2018
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6DDA
 | | Nurr1 Covalently Modified by a Dopamine Metabolite | | Descriptor: | 5-hydroxy-1,2-dihydro-6H-indol-6-one, BROMIDE ION, Nuclear receptor subfamily 4 group A member 2, ... | | Authors: | Bruning, J.M, Wang, Y, Otrabella, F, Boxue, T, Liu, H, Bhattacharya, P, Guo, S, Holton, J.M, Fletterick, R.J, Jacobson, M.P, England, P.M. | | Deposit date: | 2018-05-09 | | Release date: | 2019-03-20 | | Last modified: | 2019-11-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Covalent Modification and Regulation of the Nuclear Receptor Nurr1 by a Dopamine Metabolite.
Cell Chem Biol, 26, 2019
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3PA0
 | | Crystal Structure of Chiral Gamma-PNA with Complementary DNA Strand: Insight Into the Stability and Specificity of Recognition an Conformational Preorganization | | Descriptor: | 1,2-ETHANEDIOL, DNA 5'-D(*AP*TP*CP*TP*GP*TP*GP*GP*TP*C)-3', PEPTIDE NUCLEIC ACID, ... | | Authors: | Yeh, J.I, Shivachev, B, Du, S. | | Deposit date: | 2010-10-18 | | Release date: | 2010-12-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of chiral gammaPNA with complementary DNA strand: insights into the stability and specificity of recognition and conformational preorganization.
J.Am.Chem.Soc., 132, 2010
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4P75
 | | PheRS in complex with compound 4a | | Descriptor: | 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit | | Authors: | Ferguson, A.D. | | Deposit date: | 2014-03-25 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
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6DQH
 | | Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif | | Descriptor: | Beta-lactamase, PHOSPHATE ION, ZINC ION | | Authors: | Monteiro Pedroso, M, Waite, D, Natasa, M, McGeary, R, Guddat, L, Hugenholtz, P, Schenk, G. | | Deposit date: | 2018-06-11 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.104 Å) | | Cite: | Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse
Protein Cell, 2020
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6DHN
 | | Bovine glutamate dehydrogenase complexed with Eu3+ | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLUTAMIC ACID, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Smith, T.J. | | Deposit date: | 2018-05-20 | | Release date: | 2018-07-25 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | A novel mechanism of V-type zinc inhibition of glutamate dehydrogenase results from disruption of subunit interactions necessary for efficient catalysis.
FEBS J., 278, 2011
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6DQ2
 | | Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif mutant S60 | | Descriptor: | Beta-lactamase, PHOSPHATE ION | | Authors: | Monteiro Pedroso, M, Waite, D, Natasa, M, McGeary, R, Guddat, L, Hugenholtz, P, Schenk, G. | | Deposit date: | 2018-06-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.158 Å) | | Cite: | Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse
Protein Cell, 2020
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4AIL
 | | Crystal Structure of an Evolved Replicating DNA Polymerase | | Descriptor: | 5'-D(*AP*CP*GP*GP*GP*TP*AP*AP*GP*CP*AP)-3', 5'-D(*TP*GP*CP*TP*TP*AP*CP*DOCP)-3', DNA POLYMERASE | | Authors: | Wynne, S.A, Holliger, P, Leslie, A.G.W. | | Deposit date: | 2012-02-10 | | Release date: | 2012-03-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of an Apo and a Binary Complex of an Evolved Archeal B Family DNA Polymerase Capable of Synthesising Highly Cy-Dye Labelled DNA.
Plos One, 8, 2013
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1GWV
 | | ALPHA-,1,3 GALACTOSYLTRANSFERASE - LACTOSE COMPLEX | | Descriptor: | MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE, ... | | Authors: | Boix, E, Zhang, Y, Swaminathan, G.J, Brew, K, Acharya, K.R. | | Deposit date: | 2002-03-26 | | Release date: | 2003-03-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis of Ordered Binding of Donor and Acceptor Substrates to the Retaining Glycosyltransferase, Alpha -1,3 Galactosyltransferase
J.Biol.Chem., 277, 2002
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6DXM
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2RLK
 | | Refined solution structure of porcine peptide YY (PYY) | | Descriptor: | Peptide YY | | Authors: | Neumoin, A, Mares, J, Lerch-Bader, M, Bader, R, Zerbe, O. | | Deposit date: | 2007-07-21 | | Release date: | 2007-08-14 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Probing the formation of stable tertiary structure in a model miniprotein at atomic resolution: determinants of stability of a helical hairpin
J.Am.Chem.Soc., 129, 2007
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6DVT
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2UX8
 | | Crystal Structure of Sphingomonas elodea ATCC 31461 Glucose-1- phosphate uridylyltransferase in Complex with glucose-1-phosphate. | | Descriptor: | 1-O-phosphono-alpha-D-glucopyranose, GLUCOSE-1-PHOSPHATE URIDYLYLTRANSFERASE | | Authors: | Aragao, D, Fialho, A.M, Marques, A.R, Frazao, C, Sa-Correia, I, Mitchell, E.P. | | Deposit date: | 2007-03-27 | | Release date: | 2007-05-22 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The Complex of Sphingomonas Elodea Atcc 31461 Glucose-1-Phosphate Uridylyltransferase with Glucose-1-Phosphate Reveals a Novel Quaternary Structure, Unique Among Nucleoside Diphosphate-Sugar Pyrophosphorylase Members.
J.Bacteriol., 189, 2007
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3V82
 | | Thaumatin by LB based Hanging Drop Vapour Diffusion after 1.81 MGy X-Ray dose at ESRF ID29 beamline (Best Case) | | Descriptor: | GLYCEROL, Thaumatin I | | Authors: | Belmonte, L, Scudieri, D, Tripathi, S, Pechkova, E, Nicolini, C. | | Deposit date: | 2011-12-22 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Langmuir-Blodgett nanotemplate and radiation resistance in protein crystals: state of the art.
CRIT.REV.EUKARYOT.GENE EXPR., 22, 2012
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4P74
 | | PheRS in complex with compound 3a | | Descriptor: | N-[(3S)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit | | Authors: | Ferguson, A.D. | | Deposit date: | 2014-03-25 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
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1EQU
 | | TYPE 1 17-BETA HYDROXYSTEROID DEHYDROGENASE EQUILIN COMPLEXED WITH NADP+ | | Descriptor: | EQUILIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (ESTRADIOL 17 BETA-DEHYDROGENASE 1) | | Authors: | Sawicki, M.W, Erman, M, Puranen, T, Vihko, P, Ghosh, D. | | Deposit date: | 1998-12-02 | | Release date: | 1999-12-02 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the ternary complex of human 17beta-hydroxysteroid dehydrogenase type 1 with 3-hydroxyestra-1,3,5,7-tetraen-17-one (equilin) and NADP+.
Proc.Natl.Acad.Sci.USA, 96, 1999
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6C5N
 | | Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 1 | | Descriptor: | (cyclopentylamino)(oxo)acetic acid, IMIDAZOLE, Ketol-acid reductoisomerase (NADP(+)), ... | | Authors: | Kandale, A, Patel, K.M, Zheng, S, You, L, Guddat, L.W, Schenk, G, Schembri, M.A, McGeary, R.P. | | Deposit date: | 2018-01-16 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.673 Å) | | Cite: | Design, synthesis, in vitro activity and crystallisation of novel N-isopropyl-N-hydroxyoxamate derivatives as ketol-acid reductosiomerase (KARI) inhibitor
To Be Published
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