2K20
 
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1YVX
 | | Hepatitis C Virus RNA Polymerase Genotype 2a In Complex With Non- Nucleoside Analogue Inhibitor | | Descriptor: | 3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID, RNA dependent RNA polymerase, SULFATE ION | | Authors: | Biswal, B.K, Cherney, M.M, Wang, M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Nicolas, O, Bedard, J, James, M.N.G. | | Deposit date: | 2005-02-16 | | Release date: | 2005-03-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the RNA dependent RNA polymerase genotype 2a of hepatitis C virus reveal two conformations and suggest mechanisms of inhibition by non-nucleoside inhibitors.
J.Biol.Chem., 280, 2005
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1Z3R
 | | Solution structure of the Omsk Hemhorraghic Fever Envelope Protein Domain III | | Descriptor: | polyprotein | | Authors: | Volk, D.E, Chavez, L, Beasley, D.W, Barrett, A.D, Gorenstein, D.G. | | Deposit date: | 2005-03-14 | | Release date: | 2006-03-14 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Structure of the envelope protein domain III of Omsk hemorrhagic fever virus.
Virology, 351, 2006
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1H87
 | | Gadolinium derivative of tetragonal Hen Egg-White Lysozyme at 1.7 A resolution | | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | | Authors: | Girard, E, Chantalat, L, Vicat, J, Kahn, R. | | Deposit date: | 2001-01-25 | | Release date: | 2002-01-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Gd-Hp-Do3A, a Complex to Obtain High-Phasing-Power Heavy Atom Derivatives for Sad and MAD Experiments. Results with Tetragonal Hen Egg-White Lysozyme
Acta Crystallogr.,Sect.D, 58, 2001
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1H80
 | | 1,3-ALPHA-1,4-BETA-D-GALACTOSE-4-SULFATE- 3,6-ANHYDRO-D-GALACTOSE-2-SULFATE 4 GALACTOHYDROLASE | | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Michel, G, Chantalat, L, Dideberg, O. | | Deposit date: | 2001-01-22 | | Release date: | 2001-11-27 | | Last modified: | 2018-10-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Iota-Carrageenase of Alteromonas Fortis. A Beta-Helix Fold-Containing Enzyme for the Degradation of a Highly Polyanionic Polysaccharide
J.Biol.Chem., 276, 2001
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2A54
 | | fluorescent protein asFP595, A143S, on-state, 1min irradiation | | Descriptor: | CHLORIDE ION, GFP-like non-fluorescent chromoprotein FP595 chain 1, GFP-like non-fluorescent chromoprotein FP595 chain 2 | | Authors: | Andresen, M, Wahl, M.C, Stiel, A.C, Graeter, F, Schaefer, L, Trowitzsch, S, Weber, G, Eggeling, C, Grubmueller, H, Hell, S.W, Jakobs, S. | | Deposit date: | 2005-06-30 | | Release date: | 2005-08-16 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure and mechanism of the reversible photoswitch of a fluorescent protein
Proc.Natl.Acad.Sci.Usa, 102, 2005
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2A52
 | | fluorescent protein asFP595, S158V, on-state | | Descriptor: | GFP-like non-fluorescent chromoprotein FP595 chain 1, GFP-like non-fluorescent chromoprotein FP595 chain 2 | | Authors: | Andresen, M, Wahl, M.C, Stiel, A.C, Graeter, F, Schaefer, L, Trowitzsch, S, Weber, G, Eggeling, C, Grubmueller, H, Hell, S.W, Jakobs, S. | | Deposit date: | 2005-06-30 | | Release date: | 2005-08-16 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and mechanism of the reversible photoswitch of a fluorescent protein
Proc.Natl.Acad.Sci.Usa, 102, 2005
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8A9M
 | | Hippeastrum hybrid agglutinin, HHA, complex with beta-mannose | | Descriptor: | Agglutinin, PHOSPHATE ION, beta-D-mannopyranose | | Authors: | Rizkallah, P.J. | | Deposit date: | 2022-06-28 | | Release date: | 2022-10-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray structure solution of amaryllis lectin by molecular replacement with only 4% of the total diffracting matter.
Acta Crystallogr D Biol Crystallogr, 52, 1996
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6UKA
 | | Crystal structure of RHOG and ELMO complex | | Descriptor: | Engulfment and cell motility protein 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Jo, C.H, Killoran, R.C, Smith, M.J. | | Deposit date: | 2019-10-04 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state.
Nat Commun, 11, 2020
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3P7H
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3P7G
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3P7F
 | | Structure of the human Langerin carbohydrate recognition domain | | Descriptor: | C-type lectin domain family 4 member K, CALCIUM ION | | Authors: | Skerra, A, Schiefner, A. | | Deposit date: | 2010-10-12 | | Release date: | 2010-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The carbohydrate recognition domain of Langerin reveals high structural similarity with the one of DC-SIGN but an additional, calcium-independent sugar-binding site.
Mol.Immunol., 45, 2008
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3DQ0
 | | Maize cytokinin oxidase/dehydrogenase complexed with N6-(3-methoxy-phenyl)adenine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokinin dehydrogenase 1, ... | | Authors: | Kopecny, D, Briozzo, P. | | Deposit date: | 2008-07-09 | | Release date: | 2009-07-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterization and biological activity of novel purine-derived inhibitor of cytokinin oxidase/dehydrogenase and its potential use for in vivo studies
To be Published
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8CJ9
 | | Crystal structure of maize CKO/CKX8 in complex with urea-derived inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]benzamide | | Descriptor: | 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Kopecny, D, Briozzo, P, Morera, S. | | Deposit date: | 2023-02-12 | | Release date: | 2024-02-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 75, 2024
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4LDC
 | | Crystal Structure of DOC2B C2B domain | | Descriptor: | CALCIUM ION, CITRATE ANION, Double C2-like domain-containing protein beta | | Authors: | Giladi, M, Almagor, L, Hirsch, J.A. | | Deposit date: | 2013-06-24 | | Release date: | 2013-09-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.264 Å) | | Cite: | The C2B Domain Is the Primary Ca(2+) Sensor in DOC2B: A Structural and Functional Analysis.
J.Mol.Biol., 425, 2013
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4LCV
 | | Crystal Structure of DOC2B C2A domain | | Descriptor: | BETA-MERCAPTOETHANOL, CALCIUM ION, CITRATE ANION, ... | | Authors: | Giladi, M, Almagor, L, Hirsch, J.A. | | Deposit date: | 2013-06-23 | | Release date: | 2013-09-11 | | Last modified: | 2013-11-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The C2B Domain Is the Primary Ca(2+) Sensor in DOC2B: A Structural and Functional Analysis.
J.Mol.Biol., 425, 2013
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9BK2
 | | Crystal structure of Lactate dehydrogenase in complex with 4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (S-enantiomer, monoclinic P form) | | Descriptor: | (2S)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid, DIMETHYL SULFOXIDE, L-lactate dehydrogenase A chain, ... | | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Sharma, H. | | Deposit date: | 2024-04-26 | | Release date: | 2024-07-10 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthesis and biological characterization of an orally bioavailable lactate dehydrogenase-A inhibitor against pancreatic cancer.
Eur.J.Med.Chem., 275, 2024
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4XJR
 | | The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed | | Descriptor: | (6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien -2-ium-1-yl-L-gulonic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Dirr, L, El-Deeb, I, Guillon, P, Carroux, C, Chavas, L, von Itzstein, M. | | Deposit date: | 2015-01-08 | | Release date: | 2015-02-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed.
Angew.Chem.Int.Ed.Engl., 54, 2015
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3KJM
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9FQA
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalently bound inhibitor PSB-21101 (compound 30b in publication) | | Descriptor: | (5-chloranylpyridin-3-yl) 2-fluoranyl-4-phenylmethoxy-benzoate, BROMIDE ION, MAGNESIUM ION, ... | | Authors: | Strater, N, Claff, T, Sylvester, K, Oneto, A, Guetschow, M, Mueller, C.E. | | Deposit date: | 2024-06-14 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Nonpeptidic Irreversible Inhibitors of SARS-CoV-2 Main Protease with Potent Antiviral Activity.
J.Med.Chem., 2024
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9FQ9
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalently bound inhibitor PSB-21110 (compound 29b in publication) | | Descriptor: | (5-chloranylpyridin-3-yl) 4-ethoxy-2-fluoranyl-benzoate, BROMIDE ION, Non-structural protein 11 | | Authors: | Strater, N, Claff, T, Sylvester, K, Oneto, A, Guetschow, M, Mueller, C.E. | | Deposit date: | 2024-06-19 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Nonpeptidic Irreversible Inhibitors of SARS-CoV-2 Main Protease with Potent Antiviral Activity.
J.Med.Chem., 2024
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8QTL
 | | Aplysia californica acetylcholine-binding protein in complex with Spiroimine (-)-4 S | | Descriptor: | CHLORIDE ION, ISOPROPYL ALCOHOL, Soluble acetylcholine receptor, ... | | Authors: | Sulzenbacher, G, Bourne, Y, Marchot, P. | | Deposit date: | 2023-10-12 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Cyclic Imine Core Common to the Marine Macrocyclic Toxins Is Sufficient to Dictate Nicotinic Acetylcholine Receptor Antagonism.
Mar Drugs, 22, 2024
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8QX2
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1HCP
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7TCL
 | | Crystal structure of P.IsnB complexed with tyrosine isonitrile | | Descriptor: | (2S)-3-(4-hydroxyphenyl)-2-isocyanopropanoic acid, MANGANESE (II) ION, SULFATE ION, ... | | Authors: | Kim, W, Zhang, Y. | | Deposit date: | 2021-12-26 | | Release date: | 2022-08-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Elucidation of divergent desaturation pathways in the formation of vinyl isonitrile and isocyanoacrylate.
Nat Commun, 13, 2022
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