5TSF
 
 | | Crystal structure of AChBP from Aplysia californica complex with 2-aminopyrimidine at pH 7.0 spacegroup P212121 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-N~4~,N~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine, Soluble acetylcholine receptor | | Authors: | Camacho-Hernandez, G.A, Kaczanowska, K, Harel, M, Finn, M.G, Taylor, P.W. | | Deposit date: | 2016-10-28 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.286 Å) | | Cite: | Crystal structure of AChBP from Aplysia californica complex with 2-aminopyrimidine at pH 7.0 spacegroup P212121
To Be Published
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1FAS
 | | 1.9 ANGSTROM RESOLUTION STRUCTURE OF FASCICULIN 1, AN ANTI-ACETYLCHOLINESTERASE TOXIN FROM GREEN MAMBA SNAKE VENOM | | Descriptor: | FASCICULIN 1 | | Authors: | Le Du, M.H, Marchot, P, Bougis, P.E, Fontecilla-Camps, J.C. | | Deposit date: | 1992-08-07 | | Release date: | 1993-10-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 1.9-A resolution structure of fasciculin 1, an anti-acetylcholinesterase toxin from green mamba snake venom.
J.Biol.Chem., 267, 1992
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1AS5
 | | SOLUTION STRUCTURE OF CONOTOXIN Y-PIIIE FROM CONUS PURPURASCENS, NMR, 14 STRUCTURES | | Descriptor: | CONOTOXIN Y-PIIIE | | Authors: | Mitchell, S.S, Shon, K, Foster, M.P, Olivera, B.M, Ireland, C.M. | | Deposit date: | 1997-08-13 | | Release date: | 1998-10-14 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure of conotoxin psi-PIIIE, an acetylcholine gated ion channel antagonist.
Biochemistry, 37, 1998
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2N3A
 | | Solution structure of LEDGF/p75 IBD in complex with POGZ peptide (1389-1404) | | Descriptor: | PC4 and SFRS1-interacting protein, Pogo transposable element with ZNF domain | | Authors: | Tesina, P, Cermakova, K, Horejsi, M, Prochazkova, K, Fabry, M, Sharma, S, Christ, F, Demeulemeester, J, Debyser, Z, De Rijck, J, Veverka, V, Rezacova, P. | | Deposit date: | 2015-05-26 | | Release date: | 2015-08-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Multiple cellular proteins interact with LEDGF/p75 through a conserved unstructured consensus motif.
Nat Commun, 6, 2015
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7TQ8
 | | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 14d | | Descriptor: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, Orf1a protein, ... | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-01-26 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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2V0O
 | | FCHO2 F-BAR domain | | Descriptor: | ACETATE ION, FCH DOMAIN ONLY PROTEIN 2 | | Authors: | Henne, W.M, McMahon, H.T, Kent, H.M, Evans, P.R. | | Deposit date: | 2007-05-15 | | Release date: | 2007-06-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and Analysis of Fcho2 F-Bar Domain: A Dimerizing and Membrane Recruitment Module that Effects Membrane Curvature.
Structure, 15, 2007
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5LS3
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1IDA
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5M3C
 | | Structure of the hybrid domain (GGDEF-EAL) of PA0575 from Pseudomonas aeruginosa PAO1 at 2.8 Ang. with GTP and Ca2+ bound to the active site of the GGDEF domain | | Descriptor: | CALCIUM ION, Diguanylate cyclase, GUANOSINE-5'-TRIPHOSPHATE | | Authors: | Giardina, G, Brunotti, P, Cutruzzola, F, Rinaldo, S. | | Deposit date: | 2016-10-14 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Insights into the GTP-dependent allosteric control of c-di-GMP hydrolysis from the crystal structure of PA0575 protein from Pseudomonas aeruginosa.
FEBS J., 285, 2018
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5LZK
 | | Structure of the domain of unknown function DUF1669 from human FAM83B | | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, Protein FAM83B | | Authors: | Pinkas, D.M, Bufton, J.C, Williams, E.P, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-29 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.575 Å) | | Cite: | Structure of the domain of unknown function DUF1669 from human FAM83B
To Be Published
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5A4G
 | | NMR structure of a 180 residue construct encompassing the N-terminal metal-binding site and the membrane proximal domain of SilB from Cupriavidus metallidurans CH34 | | Descriptor: | SILB, SILVER EFFLUX PROTEIN, MFP COMPONENT OF THE THREE COMPONENTS PROTON ANTIPORTER METAL EFFLUX SYSTEM, ... | | Authors: | Bersch, B, Urbina Fernandez, P, Vandenbussche, G. | | Deposit date: | 2015-06-09 | | Release date: | 2016-05-18 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structural and Functional Investigation of the Ag+/Cu+-Binding Domains of the Periplasmic Adaptor Protein Silb from Cupriavidus Metallidurans Ch34.
Biochemistry, 55, 2016
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2V4B
 | | Crystal Structure of Human ADAMTS-1 catalytic Domain and Cysteine- Rich Domain (apo-form) | | Descriptor: | ADAMTS-1, CADMIUM ION, MAGNESIUM ION, ... | | Authors: | Gerhardt, S, Hassall, G, Hawtin, P, McCall, E, Flavell, L, Minshull, C, Hargreaves, D, Ting, A, Pauptit, R.A, Parker, A.E, Abbott, W.M. | | Deposit date: | 2007-06-28 | | Release date: | 2008-01-15 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of Human Adamts-1 Reveal a Conserved Catalytic Domain and a Disintegrin-Like Domain with a Fold Homologous to Cysteine-Rich Domains.
J.Mol.Biol., 373, 2007
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1NAP
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1VZK
 | | A Thiophene Based Diamidine Forms a "Super" AT Binding Minor Groove Agent | | Descriptor: | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP *CP*G)-3', MAGNESIUM ION | | Authors: | Mallena, S, Lee, M.P.H, Bailly, C, Neidle, S, Kumar, A, Boykin, D.W, Wilson, W.D. | | Deposit date: | 2004-05-20 | | Release date: | 2004-10-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Thiophene-Based Diamidine Forms a "Super" at Binding Minor Groove Agent
J.Am.Chem.Soc., 142, 2004
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2VTP
 | | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide | | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | | Deposit date: | 2008-05-15 | | Release date: | 2008-08-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
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5U3S
 | | Human PPARdelta ligand-binding domain in complexed with specific agonist 3 | | Descriptor: | 6-[2-({[4-(furan-3-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid, DI(HYDROXYETHYL)ETHER, POTASSIUM ION, ... | | Authors: | Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P. | | Deposit date: | 2016-12-03 | | Release date: | 2017-03-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2VVL
 | | The structure of MAO-N-D3, a variant of monoamine oxidase from Aspergillus niger. | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, MONOAMINE OXIDASE N | | Authors: | Atkin, K.E, Hart, S, Turkenburg, J.P, Brzozowski, A.M, Grogan, G.J. | | Deposit date: | 2008-06-10 | | Release date: | 2008-11-04 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | The Structure of Monoamine Oxidase from Aspergillus Niger Provides a Molecular Context for Improvements in Activity Obtained by Directed Evolution.
J.Mol.Biol., 384, 2008
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1I4H
 | | Crystal structure of Zn2+ soaked Staphylococcal enterotoxin A mutant H187A | | Descriptor: | ENTEROTOXIN TYPE A, ZINC ION | | Authors: | Hakansson, M, Antonsson, P, Bjork, P, Svensson, L.A. | | Deposit date: | 2001-02-21 | | Release date: | 2001-02-28 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Cooperative zinc binding in a staphylococcal enterotoxin A mutant mimics the SEA-MHC class II interaction
J.Biol.Inorg.Chem., 6, 2001
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5MA8
 | | GFP-binding DARPin 3G124nc | | Descriptor: | GA-binding protein subunit beta-1, Green fluorescent protein | | Authors: | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | | Deposit date: | 2016-11-03 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
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1I5G
 | | TRYPAREDOXIN II COMPLEXED WITH GLUTATHIONYLSPERMIDINE | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLUTATHIONYLSPERMIDINE, 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: | 2001-02-27 | | Release date: | 2001-03-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structures of tryparedoxins revealing interaction with trypanothione.
Biol.Chem., 382, 2001
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5M6L
 | | Small Molecule inhibitors of IAP | | Descriptor: | 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... | | Authors: | Williams, P.A. | | Deposit date: | 2016-10-25 | | Release date: | 2017-05-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
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3MLY
 | | Crystal structure of anti-HIV-1 V3 Fab 3074 in complex with a UR29 V3 peptide | | Descriptor: | HIV-1 gp120 third variable region (V3) crown, Human monoclonal anti-HIV-1 gp120 V3 antibody 3074 Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 3074 Fab light chain | | Authors: | Kong, X.-P. | | Deposit date: | 2010-04-18 | | Release date: | 2010-07-14 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
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4E95
 | | Lambda-[Ru(TAP)2(dppz-(Me)2)]2+ bound to CCGGATCCGG | | Descriptor: | (11,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+), 5'-D(*CP*CP*GP*GP*AP*TP*CP*CP*GP*G)-3', BARIUM ION | | Authors: | Hall, J.P, Cardin, C.J. | | Deposit date: | 2012-03-20 | | Release date: | 2013-03-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | The effects of disubstitution on the binding of ruthenium complexes to DNA
Thesis, University of Reading, 2014
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1FN2
 | | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE BOUND TO D(CGTACG)2 | | Descriptor: | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-4-CARBOXAMIDE, COBALT (II) ION, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3'), ... | | Authors: | Adams, A, Guss, J.M, Collyer, C.A, Denny, W.A, Wakelin, L.P.G. | | Deposit date: | 2000-08-19 | | Release date: | 2000-10-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A novel form of intercalation involving four DNA duplexes in an acridine-4-carboxamide complex of d(CGTACG)(2).
Nucleic Acids Res., 28, 2000
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1B6E
 | | HUMAN CD94 | | Descriptor: | CD94 | | Authors: | Boyington, J.C, Riaz, A.N, Patamawenu, A, Coligan, J.E, Brooks, A.G, Sun, P.D. | | Deposit date: | 1999-01-14 | | Release date: | 1999-06-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of CD94 reveals a novel C-type lectin fold: implications for the NK cell-associated CD94/NKG2 receptors.
Immunity, 10, 1999
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