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6R5R
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BU of 6r5r by Molmil
The crystal structure of Glycoside Hydrolase BglX inactive mutant D286N from P. aeruginosa in complex with cellobiose
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ...
著者Batuecas, M.T, Hermoso, J.A.
登録日2019-03-25
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Catalytic Cycle of Glycoside Hydrolase BglX fromPseudomonas aeruginosaand Its Implications for Biofilm Formation.
Acs Chem.Biol., 15, 2020
4K91
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BU of 4k91 by Molmil
Crystal structure of Penicillin-Binding Protein 5 (PBP5) from Pseudomonas aeruginosa in apo state
分子名称: D-ala-D-ala-carboxypeptidase, SUCCINIC ACID
著者Smith, J, Toth, M, Vakulenko, S, Mobashery, S, Chen, Y.
登録日2013-04-19
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural analysis of the role of Pseudomonas aeruginosa penicillin-binding protein 5 in beta-lactam resistance.
Antimicrob.Agents Chemother., 57, 2013
3ZG0
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BU of 3zg0 by Molmil
Crystal structure of ceftaroline acyl-PBP2a from MRSA with non- covalently bound ceftaroline and muramic acid at allosteric site obtained by cocrystallization
分子名称: CADMIUM ION, CHLORIDE ION, Ceftaroline, ...
著者Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
登録日2012-12-13
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function
Proc.Natl.Acad.Sci.USA, 110, 2013
3ZFZ
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BU of 3zfz by Molmil
Crystal structure of ceftaroline acyl-PBP2a from MRSA with non- covalently bound ceftaroline and muramic acid at allosteric site obtained by soaking
分子名称: CADMIUM ION, CHLORIDE ION, Ceftaroline, ...
著者Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
登録日2012-12-13
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function
Proc.Natl.Acad.Sci.USA, 110, 2013
3ZG5
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BU of 3zg5 by Molmil
Crystal structure of PBP2a from MRSA in complex with peptidoglycan analogue at allosteric
分子名称: CADMIUM ION, CHLORIDE ION, PEPTIDOGLYCAN ANALOGUE, ...
著者Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
登録日2012-12-14
公開日2013-10-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function
Proc.Natl.Acad.Sci.USA, 110, 2013
1YFM
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BU of 1yfm by Molmil
RECOMBINANT YEAST FUMARASE
分子名称: FUMARASE
著者Weaver, T.M, Lees, M.R, Banaszak, L.J.
登録日1998-01-07
公開日1998-07-08
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of native and recombinant yeast fumarase.
J.Mol.Biol., 280, 1998
3TBL
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BU of 3tbl by Molmil
Structure of Mono-ubiquitinated PCNA: Implications for DNA Polymerase Switching and Okazaki Fragment Maturation
分子名称: Proliferating cell nuclear antigen, Ubiquitin
著者Zhang, Z, Lee, M, Lee, E, Zhang, S.
登録日2011-08-07
公開日2012-05-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.903 Å)
主引用文献Structure of monoubiquitinated PCNA: Implications for DNA polymerase switching and Okazaki fragment maturation.
Cell Cycle, 11, 2012
6C59
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BU of 6c59 by Molmil
Chimeric Pol kappa RIR Rev1 C-terminal domain
分子名称: ACETATE ION, Chimeric Pol kappa RIR Rev1 C-terminal domain
著者Wojtaszek, J.L, Zhou, P.
登録日2018-01-15
公開日2019-06-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy.
Cell, 178, 2019
6C8C
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BU of 6c8c by Molmil
Chimeric Pol kappa RIR Rev1 C-terminal domain in complex with JHRE06
分子名称: 8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1H)-one, Chimeric protein of the Pol Kappa RIR helix and the Rev1 C-terminal domain
著者Najeeb, J, Zhou, P.
登録日2018-01-24
公開日2019-06-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy.
Cell, 178, 2019
7JMT
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BU of 7jmt by Molmil
Crystal structure of schistosome BCL-2 bound to ABT-737
分子名称: 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE, BCL-2 protein
著者Smith, N.A, Smith, B.J, Lee, E.F, Colman, P.M, Fairlie, W.D.
登録日2020-08-02
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2.
Acs Infect Dis., 7, 2021
5LY7
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BU of 5ly7 by Molmil
Crystal structure of NagZ H174A mutant from Pseudomonas aeruginosa in complex with the inhibitor 2-acetamido-1,2-dideoxynojirimycin
分子名称: 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, Beta-hexosaminidase, DI(HYDROXYETHYL)ETHER
著者Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A.
登録日2016-09-25
公開日2017-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
4MTS
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BU of 4mts by Molmil
Ni- and Zn-bound GloA2 at high resolution
分子名称: GLYCEROL, Lactoylglutathione lyase, NICKEL (II) ION, ...
著者Bythell-Douglas, R, Bond, C.S.
登録日2013-09-20
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structure of a homodimeric Pseudomonas glyoxalase I enzyme reveals asymmetric metallation commensurate with half-of-sites activity.
Chemistry, 21, 2015
4MTR
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BU of 4mtr by Molmil
Zn-bound GloA2
分子名称: 1,2-ETHANEDIOL, Lactoylglutathione lyase, ZINC ION
著者Bythell-Douglas, R, Bond, C.S.
登録日2013-09-20
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The crystal structure of a homodimeric Pseudomonas glyoxalase I enzyme reveals asymmetric metallation commensurate with half-of-sites activity.
Chemistry, 21, 2015
4MTQ
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BU of 4mtq by Molmil
Ni-bound GloA2
分子名称: Lactoylglutathione lyase, NICKEL (II) ION, SUCCINIC ACID
著者Bythell-Douglas, R, Bond, C.S.
登録日2013-09-20
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献The crystal structure of a homodimeric Pseudomonas glyoxalase I enzyme reveals asymmetric metallation commensurate with half-of-sites activity.
Chemistry, 21, 2015
6Z1X
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BU of 6z1x by Molmil
Crystal structure of human steroid carrier protein SL (SCP-2L) mutant V83C
分子名称: OXTOXYNOL-10, Peroxisomal multifunctional enzyme type 2, SULFATE ION
著者Rozeboom, H.J, Janssen, D.B.
登録日2020-05-14
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Engineering Thermostability in Artificial Metalloenzymes to Increase Catalytic Activity
Acs Catalysis, 11, 2021
6Z1W
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BU of 6z1w by Molmil
Crystal structure of human steroid carrier protein SL (SCP-2L) mutant A100C
分子名称: OXTOXYNOL-10, Peroxisomal multifunctional enzyme type 2, SULFATE ION
著者Rozeboom, H.J, Janssen, D.B.
登録日2020-05-14
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Engineering Thermostability in Artificial Metalloenzymes to Increase Catalytic Activity
Acs Catalysis, 11, 2021
2J8G
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BU of 2j8g by Molmil
Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (E94Q mutant in complex with a tetrasaccharide- pentapeptide)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALANINE, D-GLUTAMIC ACID, ...
著者Perez-Dorado, I, Hermoso, J.A.
登録日2006-10-25
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
2J8F
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BU of 2j8f by Molmil
Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (E94Q mutant in complex with a disaccharide- pentapeptide)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, ALANINE, D-GLUTAMIC ACID, ...
著者Perez-Dorado, I, Hermoso, J.A.
登録日2006-10-25
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
2IXU
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BU of 2ixu by Molmil
Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (wild-type endolysin)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALANINE, D-alpha-glutamine, ...
著者Perez-Dorado, I, Hermoso, J.A.
登録日2006-07-11
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
2IXV
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BU of 2ixv by Molmil
Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (E94Q mutant)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALANINE, D-GLUTAMINE, ...
著者Perez-Dorado, I, Hermoso, J.A.
登録日2006-07-11
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
4MTT
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BU of 4mtt by Molmil
Ni- and Zn-bound GloA2 at low resolution
分子名称: CHLORIDE ION, GLYCEROL, Lactoylglutathione lyase, ...
著者Bythell-Douglas, R, Bond, C.S.
登録日2013-09-20
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献The crystal structure of a homodimeric Pseudomonas glyoxalase I enzyme reveals asymmetric metallation commensurate with half-of-sites activity.
Chemistry, 21, 2015
4CJN
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BU of 4cjn by Molmil
Crystal structure of PBP2a from MRSA in complex with quinazolinone ligand
分子名称: (E)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid, CADMIUM ION, CHLORIDE ION, ...
著者Bouley, R, Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
登録日2013-12-21
公開日2015-02-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.947 Å)
主引用文献Discovery of Antibiotic (E)-3-(3-Carboxyphenyl)-2-(4-Cyanostyryl)Quinazolin-4(3H)-One.
J.Am.Chem.Soc., 137, 2015
3Q82
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Meropenem acylated BlaR1 sensor domain from Staphylococcus aureus
分子名称: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase regulatory protein BlaR1, GLYCEROL
著者Borbulevych, O.Y, Mobashery, S, Baker, B.M.
登録日2011-01-05
公開日2011-07-20
最終更新日2013-01-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus.
J.Biol.Chem., 286, 2011
3Q81
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Imipenem acylated BlaR1 sensor domain from Staphylococcus aureus
分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase regulatory protein BlaR1, GLYCEROL
著者Borbulevych, O.Y, Mobashery, S, Baker, B.M.
登録日2011-01-05
公開日2011-07-20
最終更新日2013-01-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus.
J.Biol.Chem., 286, 2011
3Q7Z
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CBAP-acylated BlaR1 sensor domain from Staphylococcus aureus
分子名称: (2R,4S)-2-[(1R)-1-{[(2'-carboxybiphenyl-2-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase regulatory protein BlaR1
著者Borbulevych, O.Y, Mobashery, S, Baker, B.M.
登録日2011-01-05
公開日2011-07-06
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Lysine Nzeta-decarboxylation switch and activation of the beta-lactam sensor domain of BlaR1 protein of methicillin-resistant Staphylococcus aureus.
J.Biol.Chem., 286, 2011

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