6XE7
| Carbonmonoxy hemoglobin in complex with the antisickling agent methyl 2-((2-formyl-3-hydroxyphenoxy)methyl)nicotinate | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Pagare, P.P, Safo, M.K, Musayev, F.N. | Deposit date: | 2020-06-12 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Exploration of Structure-Activity Relationship of Aromatic Aldehydes Bearing Pyridinylmethoxy-Methyl Esters as Novel Antisickling Agents. J.Med.Chem., 63, 2020
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6XD9
| Carbonmonoxy hemoglobin in complex with the antisickling agent 2-hydroxy-6-((6-(hydroxymethyl)pyridin-2-yl)methoxy)benzaldehyde (VZHE039) | Descriptor: | 3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Pagare, P.P, Safo, M.K, Musayev, F.N. | Deposit date: | 2020-06-10 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | VZHE-039, a novel antisickling agent that prevents erythrocyte sickling under both hypoxic and anoxic conditions. Sci Rep, 10, 2020
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6XDT
| Carbonmonoxy hemoglobin in complex with the antisickling agent methyl 5-((2-formyl-4-methoxyphenoxy)methyl)picolinate | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Pagare, P.P, Safo, M.K, Musayev, F.N. | Deposit date: | 2020-06-11 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploration of Structure-Activity Relationship of Aromatic Aldehydes Bearing Pyridinylmethoxy-Methyl Esters as Novel Antisickling Agents. J.Med.Chem., 63, 2020
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6XB8
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6BNR
| Carbonmonoxy hemoglobin in complex with the antisickling agent 5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde (INN310) | Descriptor: | 2-[(4-methoxy-2-methylphenoxy)methyl]pyridine, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Pagare, P.P, Musayev, F.N, Safo, M.K. | Deposit date: | 2017-11-17 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Rational design of pyridyl derivatives of vanillin for the treatment of sickle cell disease. Bioorg. Med. Chem., 26, 2018
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1F4J
| STRUCTURE OF TETRAGONAL CRYSTALS OF HUMAN ERYTHROCYTE CATALASE | Descriptor: | CATALASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Safo, M.K, Musayev, F.N, Wu, S.H, Abraham, D.J, Ko, T.P. | Deposit date: | 2000-06-07 | Release date: | 2000-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of tetragonal crystals of human erythrocyte catalase. Acta Crystallogr.,Sect.D, 57, 2001
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1G77
| X-RAY STRUCTURE OF ESCHERICHIA COLI PYRIDOXINE 5`-PHOSPHATE OXIDASE COMPLEXED WITH PYRIDOXAL 5'-PHOSPHATE AT 2.0 A RESOLUTION | Descriptor: | FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Safo, M.K, Musayev, F.N, di Salvo, M.L, Schirch, V. | Deposit date: | 2000-11-09 | Release date: | 2000-11-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-ray structure of Escherichia coli pyridoxine 5'-phosphate oxidase complexed with pyridoxal 5'-phosphate at 2.0 A resolution. J.Mol.Biol., 310, 2001
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1G79
| X-RAY STRUCTURE OF ESCHERICHIA COLI PYRIDOXINE 5'-PHOSPHATE OXIDASE COMPLEXED WITH PYRIDOXAL 5'-PHOSPHATE AT 2.0 A RESOLUTION | Descriptor: | BETA-MERCAPTOETHANOL, FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, ... | Authors: | Safo, M.K, Musayev, F.N, di Salvo, M.L, Schirch, V. | Deposit date: | 2000-11-09 | Release date: | 2000-11-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure of Escherichia coli pyridoxine 5'-phosphate oxidase complexed with pyridoxal 5'-phosphate at 2.0 A resolution. J.Mol.Biol., 310, 2001
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1G78
| X-RAY STRUCTURE OF ESCHERICHIA COLI PYRIDOXINE 5'-PHOSPHATE OXIDASE COMPLEXED WITH PYRIDOXAL 5'-PHOSPHATE AT 2.0 A RESOLUTION | Descriptor: | FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Safo, M.K, Musayev, F.N, di Salvo, M.L, Schirch, V. | Deposit date: | 2000-11-09 | Release date: | 2000-11-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray structure of Escherichia coli pyridoxine 5'-phosphate oxidase complexed with pyridoxal 5'-phosphate at 2.0 A resolution. J.Mol.Biol., 310, 2001
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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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3FHY
| Crystal structure of D235N mutant of human pyridoxal kinase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Safo, M.K, Gandhi, A.K, Musayev, F.N, Ghatge, M, Di Salvo, M.L, Schirch, V. | Deposit date: | 2008-12-10 | Release date: | 2008-12-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Kinetic and structural studies of the role of the active site residue Asp235 of human pyridoxal kinase. Biochem.Biophys.Res.Commun., 381, 2009
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3FHX
| Crystal structure of D235A mutant of human pyridoxal kinase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Safo, M.K, Gandhi, A.K, Musayev, F.N, Ghatge, M, Di Salvo, M.L, Schirch, V. | Deposit date: | 2008-12-10 | Release date: | 2008-12-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Kinetic and structural studies of the role of the active site residue Asp235 of human pyridoxal kinase. Biochem.Biophys.Res.Commun., 381, 2009
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3ONZ
| Human tetrameric hemoglobin: proximal nitrite ligand at beta | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ... | Authors: | Yi, J, Thormas, L.M, Safo, M.K, Musayev, F.N, Richter-Addo, G.B. | Deposit date: | 2010-08-30 | Release date: | 2011-09-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.087 Å) | Cite: | Crystallographic Trapping of Heme Loss Intermediates during the Nitrite-Induced Degradation of Human Hemoglobin. Biochemistry, 50, 2011
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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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2DDW
| Crystal Structure of Pyridoxal Kinase from the Escherichia coli PdxK gene complexed with pyridoxal at 3.2 A resolution | Descriptor: | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, Pyridoxine kinase | Authors: | Safo, M.K, Musayev, F.N, di Salvo, M.L, Hunt, S, Claude, J.B, Schirch, V. | Deposit date: | 2006-02-03 | Release date: | 2006-08-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.2 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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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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1TD2
| Crystal Structure of the PdxY Protein from Escherichia coli | Descriptor: | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, Pyridoxamine kinase, SULFATE ION | Authors: | Safo, M.K, Musayev, F.N, Hunt, S, di Salvo, M, Scarsdale, N, Schirch, V. | Deposit date: | 2004-05-21 | Release date: | 2004-07-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystal structure of the PdxY Protein from Escherichia coli J.Bacteriol., 186, 2004
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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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7N3R
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7N3S
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1JNW
| Active Site Structure of E. coli pyridoxine 5'-phosphate Oxidase | Descriptor: | FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | di Salvo, M.L, Ko, T.P, Musayev, F.N, Raboni, S, Schirch, V, Safo, M.K. | Deposit date: | 2001-07-25 | Release date: | 2001-08-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Active site structure and stereospecificity of Escherichia coli pyridoxine-5'-phosphate oxidase. J.Mol.Biol., 315, 2002
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1KM8
| The Structure of a Cytotoxic Ribonuclease From the Oocyte of Rana Catesbeiana (Bullfrog) | Descriptor: | PHOSPHATE ION, RIBONUCLEASE, OOCYTES | Authors: | Chern, S.-S, Musayev, F.N, Amiraslanov, I.R, Liao, Y.-D, Liaw, Y.-C. | Deposit date: | 2001-12-14 | Release date: | 2003-09-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Structure of a Cytotoxic Ribonuclease From the Oocyte of Rana Catesbeiana (Bullfrog) To be Published
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