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5DX5
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BU of 5dx5 by Molmil
Crystal structure of methionine gamma-lyase from Clostridium sporogenes
Descriptor: CHLORIDE ION, Methionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Revtovich, S.V, Nikulin, A.D, Morozova, E.A, Anufrieva, N.V, Demidkina, T.V.
Deposit date:2015-09-23
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure of methionine gamma-lyase from Clostridium sporogenes.
Acta Crystallogr.,Sect.F, 72, 2016
5ENV
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BU of 5env by Molmil
YEAST ALCOHOL DEHYDROGENASE WITH BOUND COENZYME
Descriptor: Alcohol dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ...
Authors:Plapp, B.V, Charlier Jr, H.A, Ramaswamy, S.
Deposit date:2015-11-09
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mechanistic implications from structures of yeast alcohol dehydrogenase complexed with coenzyme and an alcohol.
Arch.Biochem.Biophys., 591, 2015
5ER2
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BU of 5er2 by Molmil
High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor. the analysis of the inhibitor binding and description of the rigid body shift in the enzyme
Descriptor: 6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine, ENDOTHIAPEPSIN
Authors:Sali, A, Veerapandian, B, Cooper, J.B, Foundling, S.I, Hoover, D.J, Blundell, T.L.
Deposit date:1991-01-02
Release date:1991-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor: the analysis of the inhibitor binding and description of the rigid body shift in the enzyme.
EMBO J., 8, 1989
6EGR
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BU of 6egr by Molmil
Crystal structure of Citrobacter freundii methionine gamma-lyase with V358Y replacement
Descriptor: DI(HYDROXYETHYL)ETHER, Methionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Revtovich, S.V, Demitri, N, Raboni, S, Nikulin, A.D, Morozova, E.A, Demidkina, T.V, Storici, P, Mozzarelli, A.
Deposit date:2017-09-12
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Engineering methionine gamma-lyase from Citrobacter freundii for anticancer activity.
Biochim Biophys Acta Proteins Proteom, 1866, 2018
6F3G
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BU of 6f3g by Molmil
IRAK4 IN COMPLEX WITH inhibitor
Descriptor: Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}4,~{N}4-dimethyl-~{N}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
Authors:Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D.
Deposit date:2017-11-28
Release date:2018-05-23
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.
Bioorg. Med. Chem., 26, 2018
6F3D
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BU of 6f3d by Molmil
IRAK4 IN COMPLEX WITH inhibitor
Descriptor: 4-[4-[[4-(dimethylamino)cyclohexyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION
Authors:Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D.
Deposit date:2017-11-28
Release date:2018-05-23
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.
Bioorg. Med. Chem., 26, 2018
6F3I
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BU of 6f3i by Molmil
IRAK4 IN COMPLEX WITH inhibitor
Descriptor: (3~{R})-3-[4-[[4-(4-ethanoylpiperazin-1-yl)cyclohexyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]butanamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION
Authors:Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D.
Deposit date:2017-11-28
Release date:2018-05-23
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.
Bioorg. Med. Chem., 26, 2018
6F3E
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BU of 6f3e by Molmil
IRAK4 IN COMPLEX WITH inhibitor
Descriptor: 2-[(3~{R})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION
Authors:Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D.
Deposit date:2017-11-28
Release date:2018-05-23
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.
Bioorg. Med. Chem., 26, 2018
2PMD
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BU of 2pmd by Molmil
The structures of aIF2gamma subunit from the archaeon Sulfolobus solfataricus in the GDP-bound form.
Descriptor: GUANOSINE-5'-DIPHOSPHATE, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, PYROPHOSPHATE, ...
Authors:Nikonov, O.S, Stolboushkina, E.A, Nikulin, A.D, Hasenohrl, D, Blaesi, U, Manstein, D.J, Fedorov, R.V, Garber, M.B, Nikonov, S.V.
Deposit date:2007-04-21
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:New Insights into the Interactions of the Translation Initiation Factor 2 from Archaea with Guanine Nucleotides and Initiator tRNA.
J.Mol.Biol., 373, 2007
5ER1
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BU of 5er1 by Molmil
A rational approach to the design of antihypertensives. X-ray studies of complexes between aspartic proteinases and aminoalcohol renin inhibitors
Descriptor: ENDOTHIAPEPSIN, methyl N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valyl-L-isoleucyl-L-phenylalaninate
Authors:Cooper, J.B, Foundling, S.I, Blundell, T.L.
Deposit date:1990-11-07
Release date:1991-01-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Rational Approach to the Design of Antihypertensives. X-Ray Studies of Complexes between Aspartic Proteinases and Aminoalcohol Renin Inhibitors
Topics in Medicinal Chemistry, 1988
2OAW
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BU of 2oaw by Molmil
Structure of SHH variant of "Bergerac" chimera of spectrin SH3
Descriptor: CHLORIDE ION, Spectrin alpha chain, brain
Authors:Gabdoulkhakov, A.G, Gushchina, L.V, Nikulin, A.D, Nikonov, S.V, Viguera, A.R, Serrano, L, Filimonov, V.V.
Deposit date:2006-12-18
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and thermodynamic studies of Bergerac-SH3 chimeras.
Biophys.Chem., 139, 2009
2PLF
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BU of 2plf by Molmil
The structure of aIF2gamma subunit from the archaeon Sulfolobus solfataricus in the nucleotide-free form.
Descriptor: Translation initiation factor 2 gamma subunit
Authors:Nikonov, O.S, Stolboushkina, E.A, Nikulin, A.D, Hasenohrl, D, Blaesi, U, Manstein, D.J, Fedorov, R.V, Garber, M.B, Nikonov, S.V.
Deposit date:2007-04-19
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:New Insights into the Interactions of the Translation Initiation Factor 2 from Archaea with Guanine Nucleotides and Initiator tRNA.
J.Mol.Biol., 373, 2007
2Q3M
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BU of 2q3m by Molmil
Ensemble refinement of the protein crystal structure of an Arabidopsis thaliana putative steroid sulphotransferase
Descriptor: Flavonol sulfotransferase-like, MALONIC ACID
Authors:Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2007-05-30
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
2OHX
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BU of 2ohx by Molmil
REFINED CRYSTAL STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE-NADH COMPLEX AT 1.8 ANGSTROMS RESOLUTION
Descriptor: ALCOHOL DEHYDROGENASE, DIMETHYL SULFOXIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Al-Karadaghi, S, Cedergren-Zeppezauer, E.S.
Deposit date:1993-08-24
Release date:1993-10-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Refined crystal structure of liver alcohol dehydrogenase-NADH complex at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 50, 1994
5HZB
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BU of 5hzb by Molmil
Crystal structure of GII.10 P domain in complex with 2-fucosyllactose (2'FL)
Descriptor: 1,2-ETHANEDIOL, Capsid protein, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Hansman, G.S, Koromyslova, A.D, Singh, B.K.S.
Deposit date:2016-02-02
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.553 Å)
Cite:Structural Basis for Norovirus Inhibition by Human Milk Oligosaccharides.
J.Virol., 90, 2016
5HZA
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BU of 5hza by Molmil
Crystal structure of GII.10 P domain in complex with 3-fucosyllactose (3 FL)
Descriptor: 1,2-ETHANEDIOL, Capsid protein, alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]beta-D-glucopyranose
Authors:Hansman, G.S, Koromyslova, A.D, Singh, B.K.
Deposit date:2016-02-02
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural Basis for Norovirus Inhibition by Human Milk Oligosaccharides.
J.Virol., 90, 2016
3D6G
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BU of 3d6g by Molmil
Fc fragment of IgG1 (Herceptin) with protein-A mimetic peptide dendrimer ligand.
Descriptor: 2-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-amino-5-carbamimidamido-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region
Authors:Bujacz, A.D, Redzynia, I, Bujacz, G.D, Dinon, F, Pengo, P, Fassina, G.
Deposit date:2008-05-19
Release date:2009-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural characterization of a Protein A mimetic peptide dendrimer bound to human IgG.
J.Phys.Chem.B, 113, 2009
3CW2
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BU of 3cw2 by Molmil
Crystal structure of the intact archaeal translation initiation factor 2 from Sulfolobus solfataricus .
Descriptor: Translation initiation factor 2 subunit alpha, Translation initiation factor 2 subunit beta, Translation initiation factor 2 subunit gamma
Authors:Stolboushkina, E.A, Nikonov, S.V, Nikulin, A.D, Blaesi, U, Manstein, D.J, Fedorov, R.V, Garber, M.B, Nikonov, O.S.
Deposit date:2008-04-21
Release date:2009-01-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the intact archaeal translation initiation factor 2 demonstrates very high conformational flexibility in the alpha- and beta-subunits.
J.Mol.Biol., 382, 2008
1WQ1
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BU of 1wq1 by Molmil
RAS-RASGAP COMPLEX
Descriptor: ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, H-RAS, ...
Authors:Scheffzek, K, Ahmadian, M.R, Kabsch, W, Wiesmueller, L, Lautwein, A, Schmitz, F, Wittinghofer, A.
Deposit date:1997-07-03
Release date:1998-07-15
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Ras-RasGAP complex: structural basis for GTPase activation and its loss in oncogenic Ras mutants.
Science, 277, 1997
1WU1
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BU of 1wu1 by Molmil
Factor Xa in complex with the inhibitor 4-[(5-chloroindol-2-yl)sulfonyl]-2-(2-methylpropyl)-1-[[5-(pyridin-4-yl) pyrimidin-2-yl]carbonyl]piperazine
Descriptor: 5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN-4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN-1-YL}SULFONYL)-1H-INDOLE, CALCIUM ION, Coagulation factor X, ...
Authors:Suzuki, M.
Deposit date:2004-11-29
Release date:2005-11-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design, synthesis, and biological activity of non-basic compounds as factor Xa inhibitors: SAR study of S1 and aryl binding sites
Bioorg.Med.Chem., 13, 2005
5MKI
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BU of 5mki by Molmil
Crystal structure of SmAP (LSm) protein from Methanococcus vannielii
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Like-Sm ribonucleoprotein core
Authors:Nikulin, A.D, Lekontseva, N.V, Tishchenko, S.V.
Deposit date:2016-12-05
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.048 Å)
Cite:Crystal structures and RNA-binding properties of Lsm proteins from archaea Sulfolobus acidocaldarius and Methanococcus vannielii: Similarity and difference of the U-binding mode.
Biochimie, 175, 2020
5MKL
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BU of 5mkl by Molmil
Crystal structure of SmAP (LSm) protein from Sulfolobus acidocaldarius
Descriptor: Sm ribonucleo
Authors:Nikulin, A.D, Lekontseva, N.V, Tishchenko, S.V.
Deposit date:2016-12-05
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.086 Å)
Cite:Crystal structures and RNA-binding properties of Lsm proteins from archaea Sulfolobus acidocaldarius and Methanococcus vannielii: Similarity and difference of the U-binding mode.
Biochimie, 175, 2020
3JSY
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BU of 3jsy by Molmil
N-terminal fragment of ribosomal protein L10 from Methanococcus jannaschii
Descriptor: Acidic ribosomal protein P0 homolog
Authors:Kravchenko, O, Mitroshin, I, Nikulin, A.D, Piendl, W, Garber, M, Nikonov, S.
Deposit date:2009-09-11
Release date:2010-05-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of a two-domain N-terminal fragment of ribosomal protein L10 from Methanococcus jannaschii reveals a specific piece of the archaeal ribosomal stalk
J.Mol.Biol., 399, 2010
5N29
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BU of 5n29 by Molmil
An improved model of the Trypanosoma brucei CTP synthase glutaminase domain:acivicin complex.
Descriptor: CHLORIDE ION, CTP synthase
Authors:de Souza, J, Dawson, A, Hunter, W.
Deposit date:2017-02-07
Release date:2017-04-05
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An Improved Model of the Trypanosoma brucei CTP Synthetase Glutaminase Domain-Acivicin Complex.
ChemMedChem, 12, 2017
5N7M
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BU of 5n7m by Molmil
Protruding domain of GI.1 norovirus in complex with 2-fucosyllactose (2FL)
Descriptor: 1,2-ETHANEDIOL, Capsid protein VP1, SODIUM ION, ...
Authors:Hansman, G.S, Koromyslova, A.D.
Deposit date:2017-02-20
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Human norovirus inhibition by a human milk oligosaccharide.
Virology, 508, 2017

223790

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