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4AAF
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BU of 4aaf by Molmil
Crystal structure of the mutant D75N I-CreI in complex with an altered target (The four central bases, 2NN region, are composed by TGCA from 5' to 3')
分子名称: 1,2-ETHANEDIOL, 24MER DNA, DNA ENDONUCLEASE I-CREI
著者Molina, R, Redondo, P, Stella, S, Marenchino, M, D'Abramo, M, Gervasio, F.L, Epinat, J.C, Valton, J, Grizot, S, Duchateau, P, Prieto, J, Montoya, G.
登録日2011-12-01
公開日2012-05-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Non-Specific Protein-DNA Interactions Control I-Crei Target Binding and Cleavage.
Nucleic Acids Res., 40, 2012
4AAG
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Crystal structure of the mutant D75N I-CreI in complex with its wild- type target in presence of Ca at the active site (The four central bases, 2NN region, are composed by GTAC from 5' to 3')
分子名称: 5'-D(*TP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*AP*CP *GP*AP*CP*GP*TP*TP*TP*TP*GP*A)-3', CALCIUM ION, DNA ENDONUCLEASE I-CREI
著者Molina, R, Redondo, P, Stella, S, Marenchino, M, D'Abramo, M, Gervasio, F, Epinat, J.C, Valton, J, Grizot, S, Duchateau, P, Prieto, J, Montoya, G.
登録日2011-12-01
公開日2012-05-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Non-Specific Protein-DNA Interactions Control I-Crei Target Binding and Cleavage.
Nucleic Acids Res., 40, 2012
4AVO
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BU of 4avo by Molmil
Thermobifida fusca cellobiohydrolase Cel6B catalytic mutant D274A cocrystallized with cellobiose
分子名称: ACETATE ION, BETA-1,4-EXOCELLULASE, CALCIUM ION, ...
著者Wu, M, Vuong, T.V, Wilson, D.B, Sandgren, M, Stahlberg, J, Hansson, H.
登録日2012-05-28
公開日2013-06-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Loop Motions Important to Product Expulsion in the Thermobifida Fusca Glycoside Hydrolase Family 6 Cellobiohydrolase from Structural and Computational Studies.
J.Biol.Chem., 288, 2013
4AX7
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Hypocrea jecorina Cel6A D221A mutant soaked with 4-Methylumbelliferyl- beta-D-cellobioside
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-hydroxy-4-methyl-2H-chromen-2-one, EXOGLUCANASE 2, ...
著者Wu, M, Nerinckx, W, Piens, K, Ishida, T, Hansson, H, Stahlberg, J, Sandgren, M.
登録日2012-06-11
公開日2013-01-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rational Design, Synthesis, Evaluation and Enzyme-Substrate Structures of Improved Fluorogenic Substrates for Family 6 Glycoside Hydrolases.
FEBS J., 280, 2013
8QRD
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BU of 8qrd by Molmil
OleP in complex with testosterone in high salt crystallization conditions
分子名称: Cytochrome P-450, FORMIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Fata, F, Costanzo, A, Freda, I, Gugole, E, Bulfaro, G, Barbizzi, L, Di Renzo, M, Savino, C, Vallone, B, Montemiglio, L.C.
登録日2023-10-06
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献OleP in complex with testosterone in high salt crystallization conditions
To Be Published
4AU0
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Hypocrea jecorina Cel6A D221A mutant soaked with 6-chloro-4- methylumbelliferyl-beta-cellobioside
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one, EXOGLUCANASE 2, ...
著者Wu, M, Nerinckx, W, Piens, K, Ishida, T, Hansson, H, Stahlberg, J, Sandgren, M.
登録日2012-05-11
公開日2013-01-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rational Design, Synthesis, Evaluation and Enzyme-Substrate Structures of Improved Fluorogenic Substrates for Family 6 Glycoside Hydrolases.
FEBS J., 280, 2013
4AVN
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Thermobifida fusca cellobiohydrolase Cel6B catalytic mutant D226A- S232A cocrystallized with cellobiose
分子名称: CALCIUM ION, CELLOBIOHYDROLASE. GLYCOSYL HYDROLASE FAMILY 6, beta-D-glucopyranose, ...
著者Wu, M, Vuong, T.V, Wilson, D.B, Sandgren, M, Stahlberg, J, Hansson, H.
登録日2012-05-28
公開日2013-06-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Loop Motions Important to Product Expulsion in the Thermobifida Fusca Glycoside Hydrolase Family 6 Cellobiohydrolase from Structural and Computational Studies.
J.Biol.Chem., 288, 2013
4CST
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Crystal structure of FimH in complex with 3'-Chloro-4'-(alpha-D-mannopyranosyloxy)-biphenyl-4-carbonitrile
分子名称: 3'-chloro-4'-(alpha-D-mannopyranosyloxy)biphenyl-4-carbonitrile, PROTEIN FIMH
著者Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B.
登録日2014-03-10
公開日2015-02-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile.
J.Med.Chem., 58, 2015
4C4D
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BU of 4c4d by Molmil
Covalent glycosyl-enzyme intermediate of Hypocrea jecorina Cel7a E217Q mutant trapped using DNP-2-deoxy-2-fluoro-cellotrioside
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ...
著者Haddad-Momeni, M, Mackenzie, L, Sandgren, M, Withers, S.G, Stahlberg, J.
登録日2013-09-05
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献The Mechanism of Cellulose Hydrolysis by a Two-Step, Retaining Cellobiohydrolase Elucidated by Structural and Transition Path Sampling Studies.
J.Am.Chem.Soc., 136, 2014
4AX6
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BU of 4ax6 by Molmil
HYPOCREA JECORINA CEL6A D221A MUTANT SOAKED WITH 6-CHLORO-4- PHENYLUMBELLIFERYL-BETA-CELLOBIOSIDE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloranyl-7-oxidanyl-4-phenyl-chromen-2-one, EXOGLUCANASE 2, ...
著者Wu, M, Nerinckx, W, Piens, K, Ishida, T, Hansson, H, Stahlberg, J, Sandgren, M.
登録日2012-06-10
公開日2013-01-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rational Design, Synthesis, Evaluation and Enzyme-Substrate Structures of Improved Fluorogenic Substrates for Family 6 Glycoside Hydrolases.
FEBS J., 280, 2013
4CSS
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BU of 4css by Molmil
Crystal structure of FimH in complex with a sulfonamide biphenyl alpha D-mannoside
分子名称: 4'-(alpha-D-Mannopyranosyloxy)-biphenyl-4-methyl sulfonamide, GLYCEROL, PROTEIN FIMH
著者Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B.
登録日2014-03-10
公開日2015-02-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.069 Å)
主引用文献Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile.
J.Med.Chem., 58, 2015
4C4C
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BU of 4c4c by Molmil
Michaelis complex of Hypocrea jecorina CEL7A E217Q mutant with cellononaose spanning the active site
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ...
著者Haddad-Momeni, M, Sandgren, M, Stahlberg, J.
登録日2013-09-05
公開日2014-01-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Mechanism of Cellulose Hydrolysis by a Two-Step, Retaining Cellobiohydrolase Elucidated by Structural and Transition Path Sampling Studies.
J.Am.Chem.Soc., 136, 2014
4DUH
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BU of 4duh by Molmil
Crystal structure of 24 kDa domain of E. coli DNA gyrase B in complex with small molecule inhibitor
分子名称: 4-{[4'-methyl-2'-(propanoylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid, DNA gyrase subunit B
著者Brvar, M, Renko, M, Perdih, A, Solmajer, T, Turk, D.
登録日2012-02-22
公開日2012-08-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based discovery of substituted 4,5'-bithiazoles as novel DNA gyrase inhibitors.
J.Med.Chem., 55, 2012
5NNS
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BU of 5nns by Molmil
Crystal structure of HiLPMO9B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, COPPER (II) ION, ...
著者Dimarogona, M, Sandgren, M.
登録日2017-04-10
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and molecular dynamics studies of a C1-oxidizing lytic polysaccharide monooxygenase from Heterobasidion irregulare reveal amino acids important for substrate recognition.
FEBS J., 285, 2018
5NUL
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CLOSTRIDIUM BEIJERINCKII FLAVODOXIN MUTANT: G57T SEMIQUINONE (150K)
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R.
登録日1996-12-20
公開日1997-03-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
5NLL
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BU of 5nll by Molmil
CLOSTRIDIUM BEIJERINCKII FLAVODOXIN: OXIDIZED
分子名称: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
著者Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R.
登録日1996-12-23
公開日1997-03-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
3QPB
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Crystal Structure of Streptococcus Pyogenes Uridine Phosphorylase Reveals a Subclass of the NP-I Superfamily
分子名称: 1-O-phosphono-alpha-D-ribofuranose, URACIL, Uridine phosphorylase
著者Tran, T.H, Christoffersen, S, Parker, W.B, Piskur, J, Serra, I, Terreni, M, Ealick, S.E.
登録日2011-02-11
公開日2011-08-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献The Crystal Structure of Streptococcus pyogenes Uridine Phosphorylase Reveals a Distinct Subfamily of Nucleoside Phosphorylases.
Biochemistry, 50, 2011
2WLQ
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Nucleophile-disabled Lam16A mutant holds laminariheptaose (L7) in a cyclical conformation
分子名称: PUTATIVE LAMINARINASE, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
著者Vasur, J, Kawai, R, Andersson, E, Widmalm, G, Jonsson, K.H, Hansson, H, Engstrom, A, Igarashi, K, Sandgren, M, Samejima, M, Stahlberg, J.
登録日2009-06-24
公開日2010-01-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Synthesis of Cyclic Beta-Glucan Using Laminarinase 16A Glycosynthase Mutant from the Basidiomycete Phanerochaete Chrysosporium.
J.Am.Chem.Soc., 132, 2010
5A5G
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BU of 5a5g by Molmil
Crystal structure of FTHFS2 from T.acetoxydans Re1
分子名称: DI(HYDROXYETHYL)ETHER, FORMATE--TETRAHYDROFOLATE LIGASE, GLYCEROL, ...
著者Bergdahl, R, Jacobson, F, Muller, B, Mikkelsen, N, Schurer, A, Sandgren, M.
登録日2015-06-17
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization, Crystallization and Three- Dimensional Structures of Formyltetrahydrofolate Synthetase (Fthfs) from the Syntrophic Acetate Oxidising Bacterium Tepidanaerobacter Acetatoxydans Re1
To be Published
2XE0
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BU of 2xe0 by Molmil
Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus
分子名称: 24MER DNA, ACETATE ION, I-CREI V2V3 VARIANT, ...
著者Munoz, I.G, Prieto, J, Subramanian, S, Coloma, J, Redondo, P, Villate, M, Merino, N, Marenchino, M, D'Abramo, M, Gervasio, F.L, Grizot, S, Daboussi, F, Smith, J, Chion-Sotine, I, Paques, F, Duchateau, P, Alibes, A, Stricher, F, Serrano, L, Blanco, F.J, Montoya, G.
登録日2010-05-10
公開日2010-09-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Molecular Basis of Engineered Meganuclease Targeting of the Endogenous Human Rag1 Locus
Nucleic Acids Res., 39, 2011
1NK3
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VND/NK-2 HOMEODOMAIN/DNA COMPLEX, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: DNA (5'-D(*AP*CP*AP*GP*CP*CP*AP*CP*TP*TP*GP*AP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*TP*CP*AP*AP*GP*TP*GP*GP*CP*TP*GP*T)-3'), HOMEOBOX PROTEIN VND
著者Gruschus, J.M, Tsao, D.H.H, Wang, L.-H, Nirenberg, M, Ferretti, J.A.
登録日1998-05-06
公開日1998-12-09
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Interactions of the vnd/NK-2 homeodomain with DNA by nuclear magnetic resonance spectroscopy: basis of binding specificity.
Biochemistry, 36, 1997
1NK2
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VND/NK-2 HOMEODOMAIN/DNA COMPLEX, NMR, 20 STRUCTURES
分子名称: DNA (5'-D(*AP*CP*AP*GP*CP*CP*AP*CP*TP*TP*GP*AP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*TP*CP*AP*AP*GP*TP*GP*GP*CP*TP*GP*T)-3'), HOMEOBOX PROTEIN VND
著者Gruschus, J.M, Tsao, D.H.H, Wang, L.-H, Nirenberg, M, Ferretti, J.A.
登録日1998-05-06
公開日1999-02-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Interactions of the vnd/NK-2 homeodomain with DNA by nuclear magnetic resonance spectroscopy: basis of binding specificity.
Biochemistry, 36, 1997
6IAK
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BU of 6iak by Molmil
The crystal structure of the chicken CREB3 bZIP
分子名称: Uncharacterized protein
著者Sabaratnam, K, Renner, M.
登録日2018-11-26
公開日2019-12-11
最終更新日2020-06-24
実験手法X-RAY DIFFRACTION (3.95 Å)
主引用文献Insights from the crystal structure of the chicken CREB3 bZIP suggest that members of the CREB3 subfamily transcription factors may be activated in response to oxidative stress.
Protein Sci., 28, 2019
2WNE
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BU of 2wne by Molmil
Mutant Laminarinase 16A cyclizes laminariheptaose
分子名称: PUTATIVE LAMINARINASE, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose
著者Vasur, J, Kawai, R, Andersson, E, Widmalm, G, Jonsson, K.H.M, Hansson, H, Engstrom, A, Einarsson, E, Forsberg, Z, Igarashi, K, Sandgren, M, Samejima, M, Stahlberg, J.
登録日2009-07-09
公開日2010-01-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.124 Å)
主引用文献Synthesis of Cyclic Beta-Glucan Using Laminarinase 16A Glycosynthase Mutant from the Basidiomycete Phanerochaete Chrysosporium.
J.Am.Chem.Soc., 132, 2010
5A4J
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Crystal structure of FTHFS1 from T.acetoxydans Re1
分子名称: 1,2-ETHANEDIOL, ACETATE ION, D(-)-TARTARIC ACID, ...
著者Bergdahl, R, Jacobson, F, Muller, B, Mikkelsen, N, Schurer, A, Sandgren, M.
登録日2015-06-10
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Characterization, Crystallization and Three- Dimensional Structures of Formyltetrahydrofolate Synthetase (Fthfs) from the Syntrophic Acetate Oxidising Bacterium Tepidanaerobacter Acetatoxydans Re1
To be Published

222926

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