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2K20
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BU of 2k20 by Molmil
Solution structure of Par-3 PDZ3 in complex with PTEN peptide
分子名称: Partitioning-defective 3 homolog, Protein tyrosine phosphatase and tensin homolog
著者Feng, W, Wu, H, Chan, L, Zhang, M.
登録日2008-03-18
公開日2008-06-10
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of Par-3 PDZ3 in complex with PTEN peptide
To be Published
1YVX
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BU of 1yvx by Molmil
Hepatitis C Virus RNA Polymerase Genotype 2a In Complex With Non- Nucleoside Analogue Inhibitor
分子名称: 3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID, RNA dependent RNA polymerase, SULFATE ION
著者Biswal, B.K, Cherney, M.M, Wang, M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Nicolas, O, Bedard, J, James, M.N.G.
登録日2005-02-16
公開日2005-03-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
1Z3R
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BU of 1z3r by Molmil
Solution structure of the Omsk Hemhorraghic Fever Envelope Protein Domain III
分子名称: polyprotein
著者Volk, D.E, Chavez, L, Beasley, D.W, Barrett, A.D, Gorenstein, D.G.
登録日2005-03-14
公開日2006-03-14
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Structure of the envelope protein domain III of Omsk hemorrhagic fever virus.
Virology, 351, 2006
1H87
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BU of 1h87 by Molmil
Gadolinium derivative of tetragonal Hen Egg-White Lysozyme at 1.7 A resolution
分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
著者Girard, E, Chantalat, L, Vicat, J, Kahn, R.
登録日2001-01-25
公開日2002-01-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献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
1H80
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BU of 1h80 by Molmil
1,3-ALPHA-1,4-BETA-D-GALACTOSE-4-SULFATE- 3,6-ANHYDRO-D-GALACTOSE-2-SULFATE 4 GALACTOHYDROLASE
分子名称: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Michel, G, Chantalat, L, Dideberg, O.
登録日2001-01-22
公開日2001-11-27
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
2A54
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BU of 2a54 by Molmil
fluorescent protein asFP595, A143S, on-state, 1min irradiation
分子名称: CHLORIDE ION, GFP-like non-fluorescent chromoprotein FP595 chain 1, GFP-like non-fluorescent chromoprotein FP595 chain 2
著者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.
登録日2005-06-30
公開日2005-08-16
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure and mechanism of the reversible photoswitch of a fluorescent protein
Proc.Natl.Acad.Sci.Usa, 102, 2005
2A52
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BU of 2a52 by Molmil
fluorescent protein asFP595, S158V, on-state
分子名称: GFP-like non-fluorescent chromoprotein FP595 chain 1, GFP-like non-fluorescent chromoprotein FP595 chain 2
著者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.
登録日2005-06-30
公開日2005-08-16
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and mechanism of the reversible photoswitch of a fluorescent protein
Proc.Natl.Acad.Sci.Usa, 102, 2005
8A9M
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BU of 8a9m by Molmil
Hippeastrum hybrid agglutinin, HHA, complex with beta-mannose
分子名称: Agglutinin, PHOSPHATE ION, beta-D-mannopyranose
著者Rizkallah, P.J.
登録日2022-06-28
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
6UKA
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BU of 6uka by Molmil
Crystal structure of RHOG and ELMO complex
分子名称: Engulfment and cell motility protein 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Jo, C.H, Killoran, R.C, Smith, M.J.
登録日2019-10-04
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state.
Nat Commun, 11, 2020
3P7H
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BU of 3p7h by Molmil
Structure of the human Langerin carbohydrate recognition domain in complex with maltose
分子名称: C-type lectin domain family 4 member K, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Skerra, A, Schiefner, A.
登録日2010-10-12
公開日2010-11-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
3P7G
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BU of 3p7g by Molmil
Structure of the human Langerin carbohydrate recognition domain in complex with mannose
分子名称: C-type lectin domain family 4 member K, CALCIUM ION, alpha-D-mannopyranose
著者Skerra, A, Schiefner, A.
登録日2010-10-12
公開日2010-11-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
3P7F
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BU of 3p7f by Molmil
Structure of the human Langerin carbohydrate recognition domain
分子名称: C-type lectin domain family 4 member K, CALCIUM ION
著者Skerra, A, Schiefner, A.
登録日2010-10-12
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
3DQ0
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BU of 3dq0 by Molmil
Maize cytokinin oxidase/dehydrogenase complexed with N6-(3-methoxy-phenyl)adenine
分子名称: 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, ...
著者Kopecny, D, Briozzo, P.
登録日2008-07-09
公開日2009-07-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization and biological activity of novel purine-derived inhibitor of cytokinin oxidase/dehydrogenase and its potential use for in vivo studies
To be Published
8CJ9
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BU of 8cj9 by Molmil
Crystal structure of maize CKO/CKX8 in complex with urea-derived inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]benzamide
分子名称: 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Kopecny, D, Briozzo, P, Morera, S.
登録日2023-02-12
公開日2024-02-21
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 75, 2024
4LDC
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BU of 4ldc by Molmil
Crystal Structure of DOC2B C2B domain
分子名称: CALCIUM ION, CITRATE ANION, Double C2-like domain-containing protein beta
著者Giladi, M, Almagor, L, Hirsch, J.A.
登録日2013-06-24
公開日2013-09-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.264 Å)
主引用文献The C2B Domain Is the Primary Ca(2+) Sensor in DOC2B: A Structural and Functional Analysis.
J.Mol.Biol., 425, 2013
4LCV
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BU of 4lcv by Molmil
Crystal Structure of DOC2B C2A domain
分子名称: BETA-MERCAPTOETHANOL, CALCIUM ION, CITRATE ANION, ...
著者Giladi, M, Almagor, L, Hirsch, J.A.
登録日2013-06-23
公開日2013-09-11
最終更新日2013-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The C2B Domain Is the Primary Ca(2+) Sensor in DOC2B: A Structural and Functional Analysis.
J.Mol.Biol., 425, 2013
9BK2
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BU of 9bk2 by Molmil
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)
分子名称: (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, ...
著者Lovell, S, Cooper, A, Battaile, K.P, Sharma, H.
登録日2024-04-26
公開日2024-07-10
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Synthesis and biological characterization of an orally bioavailable lactate dehydrogenase-A inhibitor against pancreatic cancer.
Eur.J.Med.Chem., 275, 2024
4XJR
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BU of 4xjr by Molmil
The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed
分子名称: (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, ...
著者Dirr, L, El-Deeb, I, Guillon, P, Carroux, C, Chavas, L, von Itzstein, M.
登録日2015-01-08
公開日2015-02-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The catalytic mechanism of human parainfluenza virus type 3 haemagglutinin-neuraminidase revealed.
Angew.Chem.Int.Ed.Engl., 54, 2015
3KJM
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BU of 3kjm by Molmil
Leu492Ala mutant of Maize cytokinin oxidase/dehydrogenase complexed with phenylurea inhibitor CPPU
分子名称: 1-(2-chloropyridin-4-yl)-3-phenylurea, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kopecny, D, Briozzo, P.
登録日2009-11-03
公開日2010-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Phenyl- and benzylurea cytokinins as competitive inhibitors of cytokinin oxidase/dehydrogenase: a structural study.
Biochimie, 92, 2010
9FQA
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BU of 9fqa by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalently bound inhibitor PSB-21101 (compound 30b in publication)
分子名称: (5-chloranylpyridin-3-yl) 2-fluoranyl-4-phenylmethoxy-benzoate, BROMIDE ION, MAGNESIUM ION, ...
著者Strater, N, Claff, T, Sylvester, K, Oneto, A, Guetschow, M, Mueller, C.E.
登録日2024-06-14
公開日2024-08-28
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Nonpeptidic Irreversible Inhibitors of SARS-CoV-2 Main Protease with Potent Antiviral Activity.
J.Med.Chem., 2024
9FQ9
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Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalently bound inhibitor PSB-21110 (compound 29b in publication)
分子名称: (5-chloranylpyridin-3-yl) 4-ethoxy-2-fluoranyl-benzoate, BROMIDE ION, Non-structural protein 11
著者Strater, N, Claff, T, Sylvester, K, Oneto, A, Guetschow, M, Mueller, C.E.
登録日2024-06-19
公開日2024-08-28
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Nonpeptidic Irreversible Inhibitors of SARS-CoV-2 Main Protease with Potent Antiviral Activity.
J.Med.Chem., 2024
8QTL
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BU of 8qtl by Molmil
Aplysia californica acetylcholine-binding protein in complex with Spiroimine (-)-4 S
分子名称: CHLORIDE ION, ISOPROPYL ALCOHOL, Soluble acetylcholine receptor, ...
著者Sulzenbacher, G, Bourne, Y, Marchot, P.
登録日2023-10-12
公開日2024-04-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Cyclic Imine Core Common to the Marine Macrocyclic Toxins Is Sufficient to Dictate Nicotinic Acetylcholine Receptor Antagonism.
Mar Drugs, 22, 2024
8QX2
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Aplysia californica acetylcholine-binding protein in complex with racemic spiroimine (+)/(-)-4
分子名称: ISOPROPYL ALCOHOL, Soluble acetylcholine receptor, Spiroimine (+)-4 R
著者Sulzenbacher, G, Bourne, Y, Marchot, P.
登録日2023-10-20
公開日2024-04-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Cyclic Imine Core Common to the Marine Macrocyclic Toxins Is Sufficient to Dictate Nicotinic Acetylcholine Receptor Antagonism.
Mar Drugs, 22, 2024
1HCP
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BU of 1hcp by Molmil
DNA RECOGNITION BY THE OESTROGEN RECEPTOR: FROM SOLUTION TO THE CRYSTAL
分子名称: HUMAN/CHICKEN ESTROGEN RECEPTOR, ZINC ION
著者Schwabe, J.W.R, Rhodes, D, Neuhaus, D.
登録日1993-11-23
公開日1995-11-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献DNA recognition by the oestrogen receptor: from solution to the crystal.
Structure, 1, 1993
7TCL
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BU of 7tcl by Molmil
Crystal structure of P.IsnB complexed with tyrosine isonitrile
分子名称: (2S)-3-(4-hydroxyphenyl)-2-isocyanopropanoic acid, MANGANESE (II) ION, SULFATE ION, ...
著者Kim, W, Zhang, Y.
登録日2021-12-26
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Elucidation of divergent desaturation pathways in the formation of vinyl isonitrile and isocyanoacrylate.
Nat Commun, 13, 2022

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