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4M56
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BU of 4m56 by Molmil
The Structure of Wild-type MalL from Bacillus subtilis
分子名称: D-glucose, GLYCEROL, Oligo-1,6-glucosidase 1, ...
著者Hobbs, J.K, Jiao, W, Easter, A.D, Parker, E.J, Schipper, L.A, Arcus, V.L.
登録日2013-08-08
公開日2013-10-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Change in heat capacity for enzyme catalysis determines temperature dependence of enzyme catalyzed rates.
Acs Chem.Biol., 8, 2013
4M6V
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BU of 4m6v by Molmil
Structure of the carboxyl transferase domain from Rhizobium etli pyruvate carboxylase with pyruvate and biocytin
分子名称: Biocytin, CHLORIDE ION, GLYCEROL, ...
著者Lietzan, A.D, St.Maurice, M.
登録日2013-08-11
公開日2014-09-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The role of biotin and oxamate in the carboxyltransferase reaction of pyruvate carboxylase.
Arch.Biochem.Biophys., 562C, 2014
4MFD
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BU of 4mfd by Molmil
Structure of the carboxyl transferase domain from Rhizobium etli pyruvate carboxylase with oxalate
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Lietzan, A.D, St.Maurice, M.
登録日2013-08-27
公開日2013-11-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Insights into the carboxyltransferase reaction of pyruvate carboxylase from the structures of bound product and intermediate analogs.
Biochem.Biophys.Res.Commun., 441, 2013
4LOC
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BU of 4loc by Molmil
Structure of the carboxyl transferase domain from Rhizobium etli pyruvate carboxylase with oxamate and biotin
分子名称: BIOTIN, CHLORIDE ION, GLYCEROL, ...
著者Lietzan, A.D, St.Maurice, M.
登録日2013-07-12
公開日2014-09-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献The role of biotin and oxamate in the carboxyltransferase reaction of pyruvate carboxylase.
Arch.Biochem.Biophys., 562C, 2014
4MFE
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BU of 4mfe by Molmil
Structure of the carboxyl transferase domain from Rhizobium etli pyruvate carboxylase with 3-hydroxypyruvate
分子名称: 3-HYDROXYPYRUVIC ACID, BIOTIN, CHLORIDE ION, ...
著者Lietzan, A.D, St.Maurice, M.
登録日2013-08-27
公開日2013-11-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Insights into the carboxyltransferase reaction of pyruvate carboxylase from the structures of bound product and intermediate analogs.
Biochem.Biophys.Res.Commun., 441, 2013
4MIM
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BU of 4mim by Molmil
Structure of the carboxyl transferase domain from Rhizobium etli pyruvate carboxylase with 3-bromopyruvate
分子名称: Bromopyruvate, CHLORIDE ION, GLYCEROL, ...
著者Lietzan, A.D, St.Maurice, M.
登録日2013-09-01
公開日2014-08-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Insights into the carboxyltransferase reaction of pyruvate carboxylase from the structures of bound product and intermediate analogs.
Biochem.Biophys.Res.Commun., 441, 2013
4MKJ
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BU of 4mkj by Molmil
Crystal structure of L-methionine gamma-lyase from Citrobacter freundii modified by allicine
分子名称: Methionine gamma-lyase, PENTAETHYLENE GLYCOL, SODIUM ION, ...
著者Revtovich, S.V, Nikulin, A.D, Morozova, E.A, Zakomirdina, L.N, Demidkina, T.V.
登録日2013-09-05
公開日2014-11-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Alliin is a suicide substrate of Citrobacter freundii methionine gamma-lyase: structural bases of inactivation of the enzyme.
Acta Crystallogr.,Sect.D, 70, 2014
4MLF
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BU of 4mlf by Molmil
Crystal structure for the complex of thrombin mutant D102N and hirudin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Hirudin variant-1, ...
著者Vogt, A.D, Pozzi, N, Chen, Z, Di Cera, E.
登録日2013-09-06
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Essential role of conformational selection in ligand binding.
Biophys.Chem., 186C, 2014
4MML
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BU of 4mml by Molmil
D40A Hfq from Pseudomonas aeruginosa
分子名称: MAGNESIUM ION, Protein hfq, SULFATE ION, ...
著者Murina, V.N, Filimonov, V.V, Melnik, B.S, Uhlein, M, Mueller, U, Weiss, M, Nikulin, A.D.
登録日2013-09-09
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Effect of conserved intersubunit amino Acid substitutions on hfq protein structure and stability.
Biochemistry Mosc., 79, 2014
4OMA
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BU of 4oma by Molmil
The crystal structure of methionine gamma-lyase from Citrobacter freundii in complex with L-cycloserine pyridoxal-5'-phosphate
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL, ...
著者Revtovich, S.V, Nikulin, A.D, Morozova, E.A, Demidkina, T.V.
登録日2014-01-27
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Pre-steady-state Kinetic and Structural Analysis of Interaction of Methionine gamma-Lyase from Citrobacter freundii with Inhibitors.
J.Biol.Chem., 290, 2015
4P73
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BU of 4p73 by Molmil
PheRS in complex with compound 1a
分子名称: 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4PAN
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BU of 4pan by Molmil
A conserved phenylalanine as relay between the 5 helix and the GDP binding region of heterotrimeric G protein
分子名称: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E.
登録日2014-04-09
公開日2014-07-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Conserved Phenylalanine as a Relay between the alpha 5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein alpha Subunit.
J.Biol.Chem., 289, 2014
4P7Y
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BU of 4p7y by Molmil
L-methionine gamma-lyase from Citrobacter freundii with Y58F substitution
分子名称: DI(HYDROXYETHYL)ETHER, METHIONINE GAMMA-LYASE, PENTAETHYLENE GLYCOL
著者Revtovich, S.V, Nikulin, A.D, Anufrieva, N.V, Morozova, E.A, Demidkina, T.V.
登録日2014-03-28
公開日2014-11-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structure of L-methionine gamma-lyase from Citrobacter freundii with Y58F substitution
To Be Published
4P61
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BU of 4p61 by Molmil
CHICKEN TRIOSEPHOSPHATE ISOMERASE WITH LOOP6 MUTATIONS, V167P AND W168E.
分子名称: Triosephosphate isomerase
著者Pegan, S.D, Mesecar, A.D.
登録日2014-03-21
公開日2014-08-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Enzyme architecture: the effect of replacement and deletion mutations of loop 6 on catalysis by triosephosphate isomerase.
Biochemistry, 53, 2014
4PAQ
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BU of 4paq by Molmil
A conserved phenylalanine as relay between the 5 helix and the GDP binding region of heterotrimeric G protein
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION
著者Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E.
登録日2014-04-09
公開日2014-07-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Conserved Phenylalanine as a Relay between the alpha 5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein alpha Subunit.
J.Biol.Chem., 289, 2014
4PE7
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BU of 4pe7 by Molmil
Crystal Structure of Calcium-loaded S100B bound to SC1982
分子名称: (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, CALCIUM ION, Protein S100-B
著者Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J.
登録日2014-04-22
公開日2014-10-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.652 Å)
主引用文献Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
4P75
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BU of 4p75 by Molmil
PheRS in complex with compound 4a
分子名称: 3-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4NSK
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BU of 4nsk by Molmil
CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH LCMV-DERIVED GP33 ALTERED PEPTIDE ligand V3P
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
著者Allerbring, E.B, Duru, A.D, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A.
登録日2013-11-28
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH LCMV-DERIVED GP33 ALTERED PEPTIDE ligand V3P
TO BE PUBLISHED
4PAO
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BU of 4pao by Molmil
A conserved phenylalanine as relay between the 5 helix and the GDP binding region of heterotrimeric G protein
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION
著者Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E.
登録日2014-04-09
公開日2014-07-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献A Conserved Phenylalanine as a Relay between the alpha 5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein alpha Subunit.
J.Biol.Chem., 289, 2014
4P72
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BU of 4p72 by Molmil
PheRS in complex with compound 2a
分子名称: 2-{3-[(4-chloropyridin-2-yl)amino]phenoxy}-N-methylacetamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014
4PAM
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BU of 4pam by Molmil
A conserved phenylalanine as relay between the 5 helix and the GDP binding region of heterotrimeric G protein
分子名称: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E.
登録日2014-04-09
公開日2014-07-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献A Conserved Phenylalanine as a Relay between the alpha 5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein alpha Subunit.
J.Biol.Chem., 289, 2014
4PE1
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BU of 4pe1 by Molmil
Crystal Structure of Calcium-loaded S100B bound to SC124
分子名称: CALCIUM ION, DIETHYLCARBAMODITHIOIC ACID, Protein S100-B
著者Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J.
登録日2014-04-22
公開日2014-10-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.576 Å)
主引用文献Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
4M5X
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BU of 4m5x by Molmil
Crystal structure of the USP7/HAUSP catalytic domain
分子名称: BROMIDE ION, Ubiquitin carboxyl-terminal hydrolase 7
著者Mesecar, A.D, Molland, K.L, Zhou, Q.
登録日2013-08-08
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.187 Å)
主引用文献A 2.2 angstrom resolution structure of the USP7 catalytic domain in a new space group elaborates upon structural rearrangements resulting from ubiquitin binding.
Acta Crystallogr F Struct Biol Commun, 70, 2014
4MDS
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BU of 4mds by Molmil
Discovery of N-(benzo[1,2,3]triazol-1-yl)-N-(benzyl)acetamido)phenyl) carboxamides as severe acute respiratory syndrome coronavirus (SARS-CoV) 3CLpro inhibitors: identification of ML300 and non-covalent nanomolar inhibitors with an induced-fit binding
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[(1R)-2-[(2-methylbutan-2-yl)amino]-1-(1-methyl-1H-pyrrol-2-yl)-2-oxoethyl]acetamide
著者Mesecar, A.D, Grum-Tokars, V.
登録日2013-08-23
公開日2013-10-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.598 Å)
主引用文献Discovery of N-(benzo[1,2,3]triazol-1-yl)-N-(benzyl)acetamido)phenyl) carboxamides as severe acute respiratory syndrome coronavirus (SARS-CoV) 3CLpro inhibitors: Identification of ML300 and noncovalent nanomolar inhibitors with an induced-fit binding.
Bioorg.Med.Chem.Lett., 23, 2013
4P74
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BU of 4p74 by Molmil
PheRS in complex with compound 3a
分子名称: N-[(3S)-1,1-dioxidotetrahydrothiophen-3-yl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit
著者Ferguson, A.D.
登録日2014-03-25
公開日2014-06-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.
J.Biol.Chem., 289, 2014

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