3R5I
 
 | | Crystal structure of liganded Hemoglobin complexed with a potent Antisickling agent, INN-312 | | Descriptor: | 5-methoxy-2-(pyridin-3-ylmethoxy)benzaldehyde, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Safo, M.K, Musayev, F.N, Safo, R.P, Daniels, D, Eseonu, D.N, Parra, J. | | Deposit date: | 2011-03-18 | | Release date: | 2011-04-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and in Vitro Chracterization of Pyridyl Derivatives of Benzaldehydes : Highly Potent Antisickling Agents
To be Published
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3KEU
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4EN4
 | | Crystal Structure of the Ternary Human PL Kinase-Ginkgotoxin-MgATP Complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Safo, M.K, Musayev, F.N, Gandhi, A.K. | | Deposit date: | 2012-04-12 | | Release date: | 2012-05-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structures of human pyridoxal kinase in complex with the neurotoxins, ginkgotoxin and theophylline: insights into pyridoxal kinase inhibition.
Plos One, 7, 2012
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3HY8
 | | Crystal Structure of Human Pyridoxine 5'-Phosphate Oxidase R229W Mutant | | Descriptor: | FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Safo, M.K, Musayev, F.N, Di Salvo, M.L, Saavedra, M.K, Schirch, V. | | Deposit date: | 2009-06-22 | | Release date: | 2009-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular basis of reduced pyridoxine 5'-phosphate oxidase catalytic activity in neonatal epileptic encephalopathy disorder
J.Biol.Chem., 284, 2009
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4FAK
 | | Crystal Structure of OrfX in Complex with S-Adenosylmethionine | | Descriptor: | PHOSPHATE ION, Ribosomal RNA large subunit methyltransferase H, S-ADENOSYLMETHIONINE, ... | | Authors: | Safo, M.K, Musayev, F.N, Boundy, S, Archer, G.L, Rife, J.P, O'Farrell, H.C. | | Deposit date: | 2012-05-22 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 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
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4EOH
 | | Crystal Structure of Human PL Kinase with bound Theophylline | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Pyridoxal Kinase, SODIUM ION, ... | | Authors: | Safo, M.K, Gandhi, A.K, Musayev, F.N. | | Deposit date: | 2012-04-14 | | Release date: | 2012-05-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of human pyridoxal kinase in complex with the neurotoxins, ginkgotoxin and theophylline: insights into pyridoxal kinase inhibition.
Plos One, 7, 2012
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1K0Y
 | | X-ray Crystallographic Analyses of Symmetrical Allosteric Effectors of Hemoglobin. Compounds Designed to Link Primary and Secondary Binding Sites | | Descriptor: | 2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)-METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | Authors: | Safo, M.K, Boyiri, T, Burnett, J.C, Danso-Danquah, R, Moure, C.M, Joshi, G.S, Abraham, D.J. | | Deposit date: | 2001-09-21 | | Release date: | 2001-10-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | X-ray crystallographic analyses of symmetrical allosteric effectors of hemoglobin: compounds designed to link primary and secondary binding sites.
Acta Crystallogr.,Sect.D, 58, 2002
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3W4U
 | | Human zeta-2 beta-2-s hemoglobin | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit beta, Hemoglobin subunit zeta, ... | | Authors: | Safo, M.K, Ko, T.-P, Russell, J.E. | | Deposit date: | 2013-01-16 | | Release date: | 2013-02-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of fully liganded Hb zeta 2 beta 2(s) trapped in a tense conformation
Acta Crystallogr.,Sect.D, 69, 2013
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3WCP
 | | Deoxyhemoglobin SH-drug complex | | Descriptor: | (2R)-2,3-diphosphoglyceric acid, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Safo, M.K, Ko, T.P. | | Deposit date: | 2013-05-30 | | Release date: | 2013-06-26 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Deoxyhemoglobin SH-drug complex
To be Published
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1QXD
 | | Structural Basis for the Potent Antisickling Effect of a Novel Class of 5-Membered Heterocyclic Aldehydic Compounds | | Descriptor: | FURFURAL, Hemoglobin alpha chain, Hemoglobin beta chain, ... | | Authors: | Safo, M.K, Abdulmalik, O, Danso-Danquah, R, Nokuri, S, Joshi, G.S, Musayev, F.N, Asakura, T, Abraham, D.J. | | Deposit date: | 2003-09-05 | | Release date: | 2003-09-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis for the potent antisickling effect of a novel class of five-membered heterocyclic aldehydic compounds
J.Med.Chem., 47, 2004
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1QXE
 | | Structural Basis for the Potent Antisickling Effect of a Novel Class of 5-Membered Heterocyclic Aldehydic Compounds | | Descriptor: | 5-HYDROXYMETHYL-FURFURAL, Hemoglobin alpha chain, Hemoglobin beta chain, ... | | Authors: | Safo, M.K, Abdulmalik, O, Danso-Danquah, R, Nokuri, S, Joshi, G.S, Musayev, F.N, Asakura, T, Abraham, D.J. | | Deposit date: | 2003-09-05 | | Release date: | 2003-09-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis for the potent antisickling effect of a novel class of five-membered heterocyclic aldehydic compounds
J.Med.Chem., 47, 2004
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5E29
 | | Crystal Structure of Deoxygenated Hemoglobin in Complex with an Allosteric Effector and Nitric Oxide | | Descriptor: | 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, ... | | Authors: | Safo, M.K, Deshpande, T.M. | | Deposit date: | 2015-09-30 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 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
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5E6E
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2YXT
 | | Human Pyridoxal Kinase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, Pyridoxal kinase, ... | | Authors: | Safo, M.K, Musayev, F.N, Ko, T.P, Schirch, V. | | Deposit date: | 2007-04-27 | | Release date: | 2008-03-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of human pyridoxal kinase: structural basis of M(+) and M(2+) activation.
Protein Sci., 16, 2007
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2YXU
 | | Human Pyridoxal Kinase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Safo, M.K, Musayev, F.N, Ko, T.P, Schirch, V. | | Deposit date: | 2007-04-27 | | Release date: | 2008-03-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of human pyridoxal kinase: structural basis of M(+) and M(2+) activation.
Protein Sci., 16, 2007
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1MKO
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4RJY
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1LJW
 | | Crystal Structure of Human Carbonmonoxy Hemoglobin at 2.16 A: A Snapshot of the Allosteric Transition | | Descriptor: | CARBON MONOXIDE, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Safo, M.K, Burnett, J.C, Musayev, F.N, Nokuri, S, Abraham, D.J. | | Deposit date: | 2002-04-22 | | Release date: | 2002-05-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structure of human carbonmonoxyhemoglobin at 2.16 A: a snapshot of the allosteric transition.
Acta Crystallogr.,Sect.D, 58, 2002
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1WV4
 | | X-ray Structure of Escherichia coli pyridoxine 5'-phosphate oxidase in tetragonal crystal form | | Descriptor: | FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, Pyridoxamine 5'-phosphate oxidase | | Authors: | Safo, M.K, Musayev, F.N, Schirch, V. | | Deposit date: | 2004-12-11 | | Release date: | 2004-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of Escherichia coli pyridoxine 5'-phosphate oxidase in a tetragonal crystal form: insights into the mechanistic pathway of the enzyme.
Acta Crystallogr.,Sect.D, 61, 2005
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1XSD
 | | Crystal structure of the BlaI repressor in complex with DNA | | Descriptor: | 5'-D(P*TP*AP*CP*TP*AP*CP*AP*TP*AP*TP*GP*TP*AP*GP*TP*A)-3', penicillinase repressor | | Authors: | Safo, M.K, Ko, T.-P, Musayev, F.N, Zhao, Q, Robinson, H, Scarsdale, N, Wang, A.H.-J, Archer, G.L. | | Deposit date: | 2004-10-19 | | Release date: | 2005-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 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
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1YZI
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2D45
 | | Crystal structure of the MecI-mecA repressor-operator complex | | Descriptor: | 5'-D(P*TP*AP*CP*TP*AP*CP*AP*TP*AP*TP*GP*TP*AP*GP*TP*A)-3', Methicillin resistance regulatory protein mecI | | Authors: | Safo, M.K, Ko, T.-P, Musayev, F.N, Zhao, Q, Wang, A.H.-J, Archer, G.L. | | Deposit date: | 2005-10-09 | | Release date: | 2005-10-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structure of the MecI repressor from Staphylococcus aureus in complex with the cognate DNA operator of mec.
Acta Crystallogr.,Sect.F, 62, 2006
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2DDO
 | | Crystal Structure of Pyridoxal Kinase from the Escherichia coli pdxK gene at 2.6 A resolution | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Safo, M.K, Musayev, F.N, di Salvo, M.L, Hunt, S, Claude, J.B, Schirch, V. | | Deposit date: | 2006-02-02 | | Release date: | 2006-08-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of pyridoxal kinase from the Escherichia coli pdxK gene: implications for the classification of pyridoxal kinases.
J.Bacteriol., 188, 2006
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2DDM
 | | Crystal Structure of Pyridoxal Kinase from the Escherichia coli PdxK gene at 2.1 A resolution | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pyridoxine kinase | | Authors: | Safo, M.K, Musayev, F.N, di Salvo, M.L, Hunt, S, Claude, J.B, Schirch, V. | | Deposit date: | 2006-02-02 | | Release date: | 2006-08-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of pyridoxal kinase from the Escherichia coli pdxK gene: implications for the classification of pyridoxal kinases.
J.Bacteriol., 188, 2006
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3D17
 | | A triply ligated crystal structure of relaxed state human hemoglobin | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Safo, M.K, Musayev, F.N, Jenkins, J, Abraham, D.J. | | Deposit date: | 2008-05-05 | | Release date: | 2008-06-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A triply ligated crystal structure of relaxed state human hemoglobin
TO BE PUBLISHED
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