5EYH
 
 | | Crystal Structure of IMPase/NADP phosphatase complexed with NADP and Ca2+ at pH 7.0 | | Descriptor: | CALCIUM ION, GLYCEROL, Inositol monophosphatase, ... | | Authors: | Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K. | | Deposit date: | 2015-11-25 | | Release date: | 2015-12-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural elucidation of the NADP(H) phosphatase activity of staphylococcal dual-specific IMPase/NADP(H) phosphatase
Acta Crystallogr D Struct Biol, 72, 2016
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5ZOK
 | | Crystal structure of human SMAD1-MAN1 complex. | | Descriptor: | Inner nuclear membrane protein Man1, Mothers against decapentaplegic homolog 1 | | Authors: | Miyazono, K, Ito, T, Tanokura, M. | | Deposit date: | 2018-04-13 | | Release date: | 2018-10-17 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural basis for receptor-regulated SMAD recognition by MAN1
Nucleic Acids Res., 46, 2018
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6Q9T
 | | Protein-aromatic foldamer complex crystal structure | | Descriptor: | Aromatic foldamer, Carbonic anhydrase 2, ZINC ION | | Authors: | Post, S, Langlois d'Estaintot, B, Fischer, L, Granier, T, Huc, I. | | Deposit date: | 2018-12-18 | | Release date: | 2019-09-18 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structure Elucidation of Helical Aromatic Foldamer-Protein Complexes with Large Contact Surface Areas.
Chemistry, 25, 2019
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5EYG
 | | Crystal structure of IMPase/NADP phosphatase complexed with NADP and Ca2+ | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K. | | Deposit date: | 2015-11-25 | | Release date: | 2015-12-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural elucidation of the NADP(H) phosphatase activity of staphylococcal dual-specific IMPase/NADP(H) phosphatase
Acta Crystallogr D Struct Biol, 72, 2016
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5OVE
 | | Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 1 | | Descriptor: | 1,2-ETHANEDIOL, 6,7-dimethoxy-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]quinazolin-4-amine, Son of sevenless homolog 1 | | Authors: | Hillig, R.C, Sautier, B, Schroeder, J, Moosmayer, D, Hilpmann, A, Stegmann, C.M, Briem, H, Boemer, U, Weiske, J, Badock, V, Petersen, K, Kahmann, J, Wegener, D, Bohnke, N, Eis, K, Graham, K, Wortmann, L, von Nussbaum, F, Bader, B. | | Deposit date: | 2017-08-28 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6JT4
 | | Crystal Structure of BACE1 in complex with N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Anan, K, Iso, Y, Oguma, T, Nakahara, K, Suzuki, S, Yamamoto, T, Matsuoka, E, Ito, H, Sakaguchi, G, Ando, S, Morimoto, K, Kanegawa, N, Kido, Y, Kawachi, T, Fukushima, T, Teisman, A, Urmaliya, V, Dhuyvetter, D, Borghys, H, Austin, N, Bergh, A.V.D, Verboven, P, Bischoff, F, Gijsen, H.J.M, Yamano, Y, Kusakabe, K.I. | | Deposit date: | 2019-04-08 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Trifluoromethyl Dihydrothiazine-Based beta-Secretase (BACE1) Inhibitors with Robust Central beta-Amyloid Reduction and Minimal Covalent Binding Burden.
Chemmedchem, 14, 2019
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3KGC
 | | Isolated ligand binding domain dimer of GluA2 ionotropic glutamate receptor in complex with glutamate, LY 404187 and ZK 200775 | | Descriptor: | GLUTAMIC ACID, Glutamate receptor 2, N-[(2S)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide, ... | | Authors: | Sobolevsky, A.I, Rosconi, M.P, Gouaux, E. | | Deposit date: | 2009-10-28 | | Release date: | 2009-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | X-ray structure, symmetry and mechanism of an AMPA-subtype glutamate receptor
Nature, 462, 2009
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1B5M
 | | RAT OUTER MITOCHONDRIAL MEMBRANE CYTOCHROME B5 | | Descriptor: | CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Rivera, M, White, S.P, Zhang, X. | | Deposit date: | 1996-11-07 | | Release date: | 1997-03-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 13C NMR spectroscopic and X-ray crystallographic study of the role played by mitochondrial cytochrome b5 heme propionates in the electrostatic binding to cytochrome c.
Biochemistry, 35, 1996
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8TC9
 | | Human asparaginyl-tRNA synthetase bound to OSM-S-106 | | Descriptor: | Asparagine--tRNA ligase, cytoplasmic, GLYCEROL, ... | | Authors: | Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2023-06-30 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
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1LFO
 | | LIVER FATTY ACID BINDING PROTEIN-OLEATE COMPLEX | | Descriptor: | BUTENOIC ACID, LIVER FATTY ACID BINDING PROTEIN, OLEIC ACID, ... | | Authors: | Thompson, J, Winter, N, Terwey, D, Bratt, J, Banaszak, L. | | Deposit date: | 1996-12-09 | | Release date: | 1997-06-16 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The crystal structure of the liver fatty acid-binding protein. A complex with two bound oleates.
J.Biol.Chem., 272, 1997
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7P2L
 | | thermostabilised 7TM domain of human mGlu5 receptor bound to photoswitchable ligand alloswitch-1 | | Descriptor: | 2-chloranyl-~{N}-[2-methoxy-4-[(~{E})-pyridin-2-yldiazenyl]phenyl]benzamide, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5 | | Authors: | Huang, C.Y, Vinothkumar, K.R, Lebon, G. | | Deposit date: | 2021-07-06 | | Release date: | 2021-09-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Agonists and allosteric modulators promote signaling from different metabotropic glutamate receptor 5 conformations.
Cell Rep, 36, 2021
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8TC8
 | | Human asparaginyl-tRNA synthetase bound to adenosine 5'-sulfamate | | Descriptor: | 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE, Asparagine--tRNA ligase, cytoplasmic, ... | | Authors: | Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2023-06-30 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
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2W5I
 | | RNASE A-AP3A COMPLEX | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, RIBONUCLEASE PANCREATIC | | Authors: | Chavali, G.B, Holloway, D.E, Baker, M.D, Acharya, K.R. | | Deposit date: | 2008-12-10 | | Release date: | 2009-02-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Influence of Naturally-Occurring 5'-Pyrophosphate-Linked Substituents on the Binding of Adenylic Inhibitors to Ribonuclease A: An X-Ray Crystallographic Study.
Biopolymers, 91, 2009
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8TC7
 | | Human asparaginyl-tRNA synthetase, apo form | | Descriptor: | Asparagine--tRNA ligase, cytoplasmic, CHLORIDE ION, ... | | Authors: | Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | Deposit date: | 2023-06-30 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
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7QI8
 | | CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE AND INHIBITOR | | Descriptor: | 2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one, LYSINE, Lysine--tRNA ligase 1 | | Authors: | Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S. | | Deposit date: | 2021-12-14 | | Release date: | 2022-10-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
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1U6D
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7QHN
 | | CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE and an inhibitor | | Descriptor: | 6-azanyl-2-cyclohexyl-4-fluoranyl-1~{H}-pyrrolo[3,4-c]pyridin-3-one, LYSINE, Lysine--tRNA ligase 1 | | Authors: | Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S. | | Deposit date: | 2021-12-13 | | Release date: | 2022-10-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
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7QH8
 | | CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE | | Descriptor: | GLYCEROL, LYSINE, Lysine--tRNA ligase 1 | | Authors: | Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S. | | Deposit date: | 2021-12-10 | | Release date: | 2022-10-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
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4MLC
 | | ABC Transporter Substrate-Binding Protein fromDesulfitobacterium hafniense | | Descriptor: | CALCIUM ION, Extracellular ligand-binding receptor, SULFATE ION | | Authors: | Kim, Y, Chhor, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-09-06 | | Release date: | 2013-09-18 | | Method: | X-RAY DIFFRACTION (2.705 Å) | | Cite: | ABC Transporter Substrate-Binding Protein fromDesulfitobacterium hafniense
To be Published
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4MMX
 | | Integrin AlphaVBeta3 ectodomain bound to the tenth domain of Fibronectin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fibronectin, ... | | Authors: | van Agthoven, J, Xiong, J, Arnaout, M.A. | | Deposit date: | 2013-09-09 | | Release date: | 2014-03-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.32 Å) | | Cite: | Structural basis for pure antagonism of integrin alpha V beta 3 by a high-affinity form of fibronectin.
Nat.Struct.Mol.Biol., 21, 2014
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3GS4
 | | Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid (inhibitor 15) | | Descriptor: | 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid, Transthyretin | | Authors: | Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C. | | Deposit date: | 2009-03-26 | | Release date: | 2009-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
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1ZNV
 | | How a His-metal finger endonuclease ColE7 binds and cleaves DNA with a transition metal ion cofactor | | Descriptor: | Colicin E7, Colicin E7 immunity protein, NICKEL (II) ION, ... | | Authors: | Doudeva, L.G, Huang, H, Hsia, K.C, Shi, Z, Li, C.L, Shen, Y, Yuan, H.S. | | Deposit date: | 2005-05-12 | | Release date: | 2006-03-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structural analysis and metal-dependent stability and activity studies of the ColE7 endonuclease domain in complex with DNA/Zn2+ or inhibitor/Ni2+
Protein Sci., 15, 2006
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1C3I
 | | HUMAN STROMELYSIN-1 CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812 | | Descriptor: | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER, CALCIUM ION, STROMELYSIN-1, ... | | Authors: | Steele, D.L, Kammlott, R.U, Crowther, R.L, Birktoft, J.J, Dunten, P, Engler, J.E. | | Deposit date: | 1999-07-27 | | Release date: | 2000-07-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Expression, characterization and structure determination of an active site mutant (Glu202-Gln) of mini-stromelysin-1.
Protein Eng., 13, 2000
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7CA0
 | | Crystal structure of dihydroorotase in complex with 5-fluoroorotic acid from Saccharomyces cerevisiae | | Descriptor: | 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, ZINC ION | | Authors: | Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J. | | Deposit date: | 2020-06-08 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Complexed Crystal Structure of Saccharomyces cerevisiae Dihydroorotase with Inhibitor 5-Fluoroorotate Reveals a New Binding Mode.
Bioinorg Chem Appl, 2021, 2021
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3H4K
 | | Crystal structure of the wild type Thioredoxin glutatione reductase from Schistosoma mansoni in complex with auranofin | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE, GOLD ION, ... | | Authors: | Angelucci, F, Dimastrogiovanni, D, Miele, A.E, Boumis, G, Brunori, M, Bellelli, A. | | Deposit date: | 2009-04-20 | | Release date: | 2009-08-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Inhibition of Schistosoma mansoni thioredoxin-glutathione reductase by auranofin: structural and kinetic aspects.
J.Biol.Chem., 284, 2009
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