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1SD4
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BU of 1sd4 by Molmil
Crystal Structure of a SeMet derivative of BlaI at 2.0 A
分子名称: PENICILLINASE REPRESSOR, SULFATE ION
著者Safo, M.K, Zhao, Q, Musayev, F.N, Robinson, H, Scarsdale, N, Archer, G.L.
登録日2004-02-13
公開日2004-08-10
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 BlaI repressor from Staphylococcus aureus and its complex with DNA: insights into transcriptional regulation of the bla and mec operons
J.Bacteriol., 187, 2005
1SD6
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BU of 1sd6 by Molmil
Crystal Structure of Native MecI at 2.65 A
分子名称: Methicillin resistance regulatory protein mecI
著者Safo, M.K, Zhao, Q, Musayev, F.N, Robinson, H, Scarsdale, N, Archer, G.L.
登録日2004-02-13
公開日2004-02-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structures of the BlaI repressor from Staphylococcus aureus and its complex with DNA: insights into transcriptional regulation of the bla and mec operons
J.Bacteriol., 187, 2005
1SD7
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BU of 1sd7 by Molmil
Crystal Structure of a SeMet derivative of MecI at 2.65 A
分子名称: Methicillin resistance regulatory protein mecI
著者Safo, M.K, Zhao, Q, Musayev, F.N, Robinson, H, Scarsdale, N, Archer, G.L.
登録日2004-02-13
公開日2004-02-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structures of the BlaI repressor from Staphylococcus aureus and its complex with DNA: insights into transcriptional regulation of the bla and mec operons
J.Bacteriol., 187, 2005
1TD2
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BU of 1td2 by Molmil
Crystal Structure of the PdxY Protein from Escherichia coli
分子名称: 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, Pyridoxamine kinase, SULFATE ION
著者Safo, M.K, Musayev, F.N, Hunt, S, di Salvo, M, Scarsdale, N, Schirch, V.
登録日2004-05-21
公開日2004-07-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structure of the PdxY Protein from Escherichia coli
J.Bacteriol., 186, 2004
3R5I
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BU of 3r5i by Molmil
Crystal structure of liganded Hemoglobin complexed with a potent Antisickling agent, INN-312
分子名称: 5-methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Safo, M.K, Musayev, F.N, Safo, R.P, Daniels, D, Eseonu, D.N, Parra, J.
登録日2011-03-18
公開日2011-04-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and in Vitro Chracterization of Pyridyl Derivatives of Benzaldehydes : Highly Potent Antisickling Agents
To be Published
2YXT
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BU of 2yxt by Molmil
Human Pyridoxal Kinase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, Pyridoxal kinase, ...
著者Safo, M.K, Musayev, F.N, Ko, T.P, Schirch, V.
登録日2007-04-27
公開日2008-03-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of human pyridoxal kinase: structural basis of M(+) and M(2+) activation.
Protein Sci., 16, 2007
2YXU
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BU of 2yxu by Molmil
Human Pyridoxal Kinase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Safo, M.K, Musayev, F.N, Ko, T.P, Schirch, V.
登録日2007-04-27
公開日2008-03-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of human pyridoxal kinase: structural basis of M(+) and M(2+) activation.
Protein Sci., 16, 2007
5E29
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BU of 5e29 by Molmil
Crystal Structure of Deoxygenated Hemoglobin in Complex with an Allosteric Effector and Nitric Oxide
分子名称: 2-(nitrooxy)ethyl 2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoate, 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID, CACODYLATE ION, ...
著者Safo, M.K, Deshpande, T.M.
登録日2015-09-30
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design, Synthesis, and Investigation of Novel Nitric Oxide (NO)-Releasing Prodrugs as Drug Candidates for the Treatment of Ischemic Disorders: Insights into NO-Releasing Prodrug Biotransformation and Hemoglobin-NO Biochemistry.
Biochemistry, 54, 2015
5E6E
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BU of 5e6e by Molmil
Crystal Structure of Carbonmonoxy Sickle Hemoglobin in R-State Conformation
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Safo, M.K, Ahmed, M.H.
登録日2015-10-09
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of carbonmonoxy sickle hemoglobin in R-state conformation.
J.Struct.Biol., 194, 2016
3KEU
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BU of 3keu by Molmil
Crystal Structure of Human PL Kinase with bound PLP and ATP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Safo, M.K, Gandhi, A.K, Musayev, F.N.
登録日2009-10-26
公開日2009-11-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of PL kinase in complex with MgATP and PLP: Structural basis of severe induced MgATP substrate inhibition of the enzyme
To be Published
3HY8
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BU of 3hy8 by Molmil
Crystal Structure of Human Pyridoxine 5'-Phosphate Oxidase R229W Mutant
分子名称: FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ...
著者Safo, M.K, Musayev, F.N, Di Salvo, M.L, Saavedra, M.K, Schirch, V.
登録日2009-06-22
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular basis of reduced pyridoxine 5'-phosphate oxidase catalytic activity in neonatal epileptic encephalopathy disorder
J.Biol.Chem., 284, 2009
4EN4
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BU of 4en4 by Molmil
Crystal Structure of the Ternary Human PL Kinase-Ginkgotoxin-MgATP Complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Safo, M.K, Musayev, F.N, Gandhi, A.K.
登録日2012-04-12
公開日2012-05-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structures of human pyridoxal kinase in complex with the neurotoxins, ginkgotoxin and theophylline: insights into pyridoxal kinase inhibition.
Plos One, 7, 2012
4EOH
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BU of 4eoh by Molmil
Crystal Structure of Human PL Kinase with bound Theophylline
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Pyridoxal Kinase, SODIUM ION, ...
著者Safo, M.K, Gandhi, A.K, Musayev, F.N.
登録日2012-04-14
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of human pyridoxal kinase in complex with the neurotoxins, ginkgotoxin and theophylline: insights into pyridoxal kinase inhibition.
Plos One, 7, 2012
4FAK
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BU of 4fak by Molmil
Crystal Structure of OrfX in Complex with S-Adenosylmethionine
分子名称: PHOSPHATE ION, Ribosomal RNA large subunit methyltransferase H, S-ADENOSYLMETHIONINE, ...
著者Safo, M.K, Musayev, F.N, Boundy, S, Archer, G.L, Rife, J.P, O'Farrell, H.C.
登録日2012-05-22
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Characterization of the Staphylococcus aureus rRNA Methyltransferase Encoded by orfX, the Gene Containing the Staphylococcal Chromosome Cassette mec (SCCmec) Insertion Site.
J.Biol.Chem., 288, 2013
3D17
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BU of 3d17 by Molmil
A triply ligated crystal structure of relaxed state human hemoglobin
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Safo, M.K, Musayev, F.N, Jenkins, J, Abraham, D.J.
登録日2008-05-05
公開日2008-06-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A triply ligated crystal structure of relaxed state human hemoglobin
TO BE PUBLISHED
3FHY
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BU of 3fhy by Molmil
Crystal structure of D235N mutant of human pyridoxal kinase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Safo, M.K, Gandhi, A.K, Musayev, F.N, Ghatge, M, Di Salvo, M.L, Schirch, V.
登録日2008-12-10
公開日2008-12-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Kinetic and structural studies of the role of the active site residue Asp235 of human pyridoxal kinase.
Biochem.Biophys.Res.Commun., 381, 2009
3FHX
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BU of 3fhx by Molmil
Crystal structure of D235A mutant of human pyridoxal kinase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Safo, M.K, Gandhi, A.K, Musayev, F.N, Ghatge, M, Di Salvo, M.L, Schirch, V.
登録日2008-12-10
公開日2008-12-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Kinetic and structural studies of the role of the active site residue Asp235 of human pyridoxal kinase.
Biochem.Biophys.Res.Commun., 381, 2009
4NI0
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BU of 4ni0 by Molmil
Quaternary R3 CO-liganded hemoglobin structure in complex with a thiol containing compound
分子名称: 5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
著者Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W.
登録日2013-11-05
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling.
Acs Chem.Biol., 9, 2014
4NI1
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BU of 4ni1 by Molmil
Quaternary R CO-liganded hemoglobin structure in complex with a thiol containing compound
分子名称: 5-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
著者Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W.
登録日2013-11-05
公開日2014-09-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling.
Acs Chem.Biol., 9, 2014
4LNL
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BU of 4lnl by Molmil
Structure of Escherichia coli Threonine Aldolase in Complex with Allo-Thr
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Low-specificity L-threonine aldolase, ...
著者Safo, M.K.
登録日2013-07-11
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献On the catalytic mechanism and stereospecificity of Escherichia coli l-threonine aldolase.
Febs J., 281, 2014
4LNJ
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BU of 4lnj by Molmil
Structure of Escherichia coli Threonine Aldolase in Unliganded Form
分子名称: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Low-specificity L-threonine aldolase, ...
著者Safo, M.K, Contestabile, R, Remesh, S.G.
登録日2013-07-11
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献On the catalytic mechanism and stereospecificity of Escherichia coli l-threonine aldolase.
Febs J., 281, 2014
4LNM
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BU of 4lnm by Molmil
Structure of Escherichia coli Threonine Aldolase in Complex with Serine
分子名称: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Safo, M.K, Contestabile, R, Remesh, S.G.
登録日2013-07-11
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献On the catalytic mechanism and stereospecificity of Escherichia coli l-threonine aldolase.
Febs J., 281, 2014
4RJY
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BU of 4rjy by Molmil
Crystal structure of E. coli L-Threonine Aldolase in complex with a non-covalently uncleaved bound L-serine substrate
分子名称: Low specificity L-threonine aldolase, SERINE, SODIUM ION
著者Safo, M.K, Chowdhury, N, Gandhi, A.K.
登録日2014-10-11
公開日2014-10-29
最終更新日2015-02-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular basis of E. colil-threonine aldolase catalytic inactivation at low pH.
Biochim.Biophys.Acta, 1854, 2015
6BWU
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BU of 6bwu by Molmil
Crystal structure of carboxyhemoglobin in complex with beta Cys93 modifying agent, TD3
分子名称: 1H-1,2,3-triazole-5-thiol, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
著者Musayev, F.N, Safo, R.M, Safo, M.K.
登録日2017-12-15
公開日2018-01-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Triazole Disulfide Compound Increases the Affinity of Hemoglobin for Oxygen and Reduces the Sickling of Human Sickle Cells.
Mol. Pharm., 15, 2018
6BWP
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BU of 6bwp by Molmil
Crystal structure of Deoxy Hemoglobin in complex with beta Cys93 modifying agent, TD3
分子名称: 1H-1,2,3-triazole-5-thiol, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Musayev, F.N, Safo, R.M, Safo, M.K.
登録日2017-12-15
公開日2018-01-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Triazole Disulfide Compound Increases the Affinity of Hemoglobin for Oxygen and Reduces the Sickling of Human Sickle Cells.
Mol. Pharm., 15, 2018

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