2A3Y
 
 | | Pentameric crystal structure of human serum amyloid P-component bound to Bis-1,2-{[(Z)-2carboxy-2-methyl-1,3-dioxane]-5-yloxycarbamoyl}-ethane. | | Descriptor: | BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE, CALCIUM ION, Serum amyloid P-component | | Authors: | Ho, J.G, Kitov, P.I, Paszkiewicz, E, Sadowska, J, Bundle, D.R, Ng, K.K. | | Deposit date: | 2005-06-27 | | Release date: | 2005-07-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Ligand-assisted Aggregation of Proteins: DIMERIZATION OF SERUM AMYLOID P COMPONENT BY BIVALENT LIGANDS.
J.Biol.Chem., 280, 2005
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6VVG
 | | Structure of the Cydia pomonella Granulovirus kinase, PK-1 | | Descriptor: | ADENOSINE MONOPHOSPHATE, Arginine kinase | | Authors: | Oliver, M.R, Horne, C.R, Keown, J.R, Murphy, J.M, Metcalf, P. | | Deposit date: | 2020-02-17 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Granulovirus PK-1 kinase activity relies on a side-to-side dimerization mode centered on the regulatory alpha C helix.
Nat Commun, 12, 2021
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3ZDH
 | | Crystal structure of Ls-AChBP complexed with carbamoylcholine analogue N,N-dimethyl-4-(1-methyl-1H-imidazol-2-yloxy)butan-2-amine | | Descriptor: | (2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE BINDING PROTEIN, ... | | Authors: | Ussing, C.A, Hansen, C.P, Petersen, J.G, Jensen, A.A, Rohde, L.A.H, Ahring, P.K, Nielsen, E.O, Kastrup, J.S, Gajhede, M, Frolund, B, Balle, T. | | Deposit date: | 2012-11-26 | | Release date: | 2013-02-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.195 Å) | | Cite: | Synthesis, Pharmacology, and Biostructural Characterization of Novel Alpha(4)Beta(2) Nicotinic Acetylcholine Receptor Agonists.
J.Med.Chem., 56, 2013
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3LE8
 | | Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.70 Angstrom resolution in complex with 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid, ETHANOL, ... | | Authors: | Silvestre, H.L, Hung, A.W, Sledz, P, Ciulli, A, Blundell, T.L, Abell, C. | | Deposit date: | 2010-01-14 | | Release date: | 2010-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Optimization of the interligand overhauser effect for fragment linking: application to inhibitor discovery against Mycobacterium tuberculosis pantothenate synthetase.
J.Am.Chem.Soc., 132, 2010
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2PT3
 | | Crystal structure of bovine lactoperoxidase at 2.34 A resolution reveals multiple anion binding sites | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lactoperoxidase, ... | | Authors: | Singh, A.K, Singh, N, Sharma, S, Kaur, P, Betzel, C, Singh, T.P. | | Deposit date: | 2007-05-08 | | Release date: | 2007-05-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal structure of bovine lactoperoxidase at 2.34 A resolution reveals multiple anion binding sites
To be Published
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6VX7
 | | bestrophin-2 Ca2+-bound state (5 mM Ca2+) | | Descriptor: | Bestrophin, CALCIUM ION, CHLORIDE ION | | Authors: | Owji, A.P, Zhao, Q, Ji, C, Kittredge, A, Hopiavuori, A, Fu, Z, Ward, N, Clarke, O, Shen, Y, Zhang, Y, Hendrickson, W.A, Yang, T. | | Deposit date: | 2020-02-21 | | Release date: | 2020-04-08 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.36 Å) | | Cite: | Structural and functional characterization of the bestrophin-2 anion channel.
Nat.Struct.Mol.Biol., 27, 2020
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6VXM
 | | Cryo-EM structure of Arabidopsis thaliana MSL1 | | Descriptor: | EICOSANE, Mechanosensitive ion channel protein 1, mitochondrial | | Authors: | Deng, Z, Zhang, J, Yuan, P. | | Deposit date: | 2020-02-22 | | Release date: | 2020-08-05 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Structural mechanism for gating of a eukaryotic mechanosensitive channel of small conductance.
Nat Commun, 11, 2020
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5UDW
 | | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with nickel | | Descriptor: | Lactate racemization operon protein LarE, NICKEL (II) ION, PHOSPHATE ION, ... | | Authors: | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | | Deposit date: | 2016-12-28 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.698 Å) | | Cite: | Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3BNJ
 | | W. succinogenes NrfA Y218F Sulfite Complex | | Descriptor: | ACETATE ION, CALCIUM ION, Cytochrome c-552, ... | | Authors: | Lukat, P, Einsle, O. | | Deposit date: | 2007-12-14 | | Release date: | 2008-02-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Binding and Reduction of Sulfite by Cytochrome c Nitrite Reductase
Biochemistry, 47, 2008
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3ZNM
 | | H5 Haemagglutinin in Complex with Sialyl-Lewis X | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HAEMAGGLUTININ, ... | | Authors: | Xiong, X, Tuzikov, A, Coombs, P, Martin, S.R, Walker, P.A, Gamblin, S.J, Bovin, N, Skehel, J.J. | | Deposit date: | 2013-02-15 | | Release date: | 2013-09-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Recognition of Sulphated and Fucosylated Receptor Sialosides by A/Vietnam/1194/2004 (H5N1) Influenza Virus.
Virus Res., 178, 2013
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3ZRT
 | | Crystal structure of human PSD-95 PDZ1-2 | | Descriptor: | DISKS LARGE HOMOLOG 4 | | Authors: | Sorensen, P.L, Kastrup, J.S, Gajhede, M. | | Deposit date: | 2011-06-19 | | Release date: | 2012-03-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.398 Å) | | Cite: | A High-Affinity, Dimeric Inhibitor of Psd-95 Bivalently Interacts with Pdz1-2 and Protects Against Ischemic Brain Damage.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1T31
 | | A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E, Pereira, P.J.B, Wang, Z.M, Rubin, H, Huber, R, Bode, W, Schechter, N.M, Strobl, S. | | Deposit date: | 2004-04-23 | | Release date: | 2005-03-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo.
J.Biol.Chem., 280, 2005
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1IDS
 | | X-RAY STRUCTURE ANALYSIS OF THE IRON-DEPENDENT SUPEROXIDE DISMUTASE FROM MYCOBACTERIUM TUBERCULOSIS AT 2.0 ANGSTROMS RESOLUTIONS REVEALS NOVEL DIMER-DIMER INTERACTIONS | | Descriptor: | FE (III) ION, IRON SUPEROXIDE DISMUTASE | | Authors: | Cooper, J.B, Mcintyre, K, Wood, S.P, Zhang, Y, Young, D. | | Deposit date: | 1994-09-29 | | Release date: | 1994-12-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray structure analysis of the iron-dependent superoxide dismutase from Mycobacterium tuberculosis at 2.0 Angstroms resolution reveals novel dimer-dimer interactions.
J.Mol.Biol., 246, 1995
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1P3O
 | | Crystallographic Studies of Nucleosome Core Particles containing Histone 'Sin' Mutants | | Descriptor: | Histone H2A, Histone H2B, Histone H3, ... | | Authors: | Muthurajan, U.M, Bao, Y, Forsberg, L.J, Edayathumangalam, R.S, Dyer, P.N, White, C.L, Luger, K. | | Deposit date: | 2003-04-17 | | Release date: | 2004-02-24 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structures of histone Sin mutant nucleosomes reveal altered protein-DNA interactions
EMBO J., 23, 2004
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4L6C
 | | Crystal structure of human mitochondrial deoxyribonucleotidase in complex with the inhibitor pib-t | | Descriptor: | 1,2-ETHANEDIOL, 1-{2-deoxy-3,5-O-[(4-iodophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, 5'(3')-deoxyribonucleotidase, ... | | Authors: | Pachl, P, Brynda, J, Rezacova, P. | | Deposit date: | 2013-06-12 | | Release date: | 2014-09-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Conformationally constrained nucleoside phosphonic acids - potent inhibitors of human mitochondrial and cytosolic 5'(3')-nucleotidases.
Org.Biomol.Chem., 12, 2014
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3R4X
 | | Crystal structure of bovine lactoperoxidase complexed with pyrazine-2-carboxamide at 2 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pandey, N, Singh, R.P, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2011-03-18 | | Release date: | 2011-08-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal structure of bovine lactoperoxidase complexed with Pyrazine-2-carboxamide at 2 A resolution
To be Published
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5HIX
 | | Cocrystal structure of an anti-parallel DNA G-quadruplex and a tetra-Quinoline Foldamer | | Descriptor: | 4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-({[4-(3-aminopropoxy)-8-nitroquinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinoline-2-carboxylic acid, Dimeric G-quadruplex, POTASSIUM ION | | Authors: | Mandal, P.K, Baptiste, B, Langlois d'Estaintot, B, Kauffmann, B, Huc, I. | | Deposit date: | 2016-01-12 | | Release date: | 2016-11-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Multivalent Interactions between an Aromatic Helical Foldamer and a DNA G-Quadruplex in the Solid State.
Chembiochem, 17, 2016
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1P4R
 | | Crystal Structure of Human ATIC in complex with folate-based inhibitor BW1540U88UD | | Descriptor: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINAZOLIN-6-YL)(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}PHENYL)(HYDROXY)METHYL]-L-GLUTAMIC ACID, ... | | Authors: | Cheong, C.-G, Greasley, S.E, Horton, P.A, Beardsley, G.P, Wilson, I.A. | | Deposit date: | 2003-04-23 | | Release date: | 2004-03-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structures of human bifunctional enzyme aminoimidazole-4-carboxamide ribonucleotide transformylase/IMP cyclohydrolase in complex with potent sulfonyl-containing antifolates
J.Biol.Chem., 279, 2004
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3LGM
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2FVZ
 | | Human Inositol Monophosphosphatase 2 | | Descriptor: | Inositol monophosphatase 2 | | Authors: | Ogg, D, Hallberg, B.M, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Kotenyova, T, Kursula, P, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Van Den Berg, S, Weigelt, J, Thorsell, A.G, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-01-31 | | Release date: | 2006-02-21 | | Last modified: | 2018-05-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of Human Inositol Monophosphatase 2
To be published
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1DJD
 | | THE SOLUTION STRUCTURE OF A NON-BAY REGION 11R-BENZ[A]ANTHRACENE OXIDE ADDUCT AT THE N6 POSITION OF ADENINE OF AN OLIGODEOXYNUCLEOTIDE CONTAINING THE HUMAN N-RAS CODON 61 SEQUENCE | | Descriptor: | 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-8,9,10-TRIOL, DNA(5'-D(*CT*GT*GT*AT*CT*AT*AT*GT*AT*AT*G)-3'), DNA(5'-D(*CT*TT*TT*CT*TT*TT*GT*TT*CT*CT*G)-3') | | Authors: | Li, Z, Kim, H.Y, Tamura, P.J, Harris, C.M, Harris, T.M, Stone, M.P. | | Deposit date: | 1999-12-02 | | Release date: | 1999-12-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Role of a polycyclic aromatic hydrocarbon bay region ring in modulating DNA adduct structure: the non-bay region (8S,9R,10S, 11R)-N(6)-[11-(8,9,10,11-tetrahydro-8,9, 10-trihydroxybenz[a]anthracenyl)]-2' -deoxyadenosyl adduct in codon 61 of the human N-ras protooncogene
Biochemistry, 38, 1999
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7E1B
 | | Crystal structure of VbrR-DNA complex | | Descriptor: | DNA (26-MER), DNA-binding response regulator | | Authors: | Hong, S, Zhang, X, Zhang, P. | | Deposit date: | 2021-02-01 | | Release date: | 2022-02-09 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (4.587 Å) | | Cite: | Structural basis of phosphorylation-induced activation of the response regulator VbrR.
Acta Biochim.Biophys.Sin., 2023
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1FG4
 | | STRUCTURE OF TRYPAREDOXIN II | | Descriptor: | TRYPAREDOXIN II | | Authors: | Hofmann, B, Budde, H, Bruns, K, Guerrero, S.A, Kalisz, H.M, Menge, U, Montemartini, M, Nogoceke, E, Steinert, P, Wissing, J.B, Flohe, L, Hecht, H.J. | | Deposit date: | 2000-07-28 | | Release date: | 2001-04-25 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of tryparedoxins revealing interaction with trypanothione.
Biol.Chem., 382, 2001
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5HJR
 | | Murine endoplasmic reticulum alpha-glucosidase II with bound covalent intermediate | | Descriptor: | 1,2-ETHANEDIOL, 5-fluoro-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | | Deposit date: | 2016-01-13 | | Release date: | 2016-07-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3PLK
 | | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Tziridis, A, Neumann, P, Braeuer, U, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2010-11-15 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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