1DNL
| X-RAY STRUCTURE OF ESCHERICHIA COLI PYRIDOXINE 5'-PHOSPHATE OXIDASE COMPLEXED WITH FMN AT 1.8 ANGSTROM RESOLUTION | Descriptor: | FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, PYRIDOXINE 5'-PHOSPHATE OXIDASE | Authors: | Safo, M.K, Mathews, I, Musayev, F.N, di Salvo, M.L, Thiel, D.J, Abraham, D.J, Schirch, V. | Deposit date: | 1999-12-16 | Release date: | 2000-01-05 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray structure of Escherichia coli pyridoxine 5'-phosphate oxidase complexed with FMN at 1.8 A resolution. Structure Fold.Des., 8, 2000
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1F36
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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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1G9V
| HIGH RESOLUTION CRYSTAL STRUCTURE OF DEOXY HEMOGLOBIN COMPLEXED WITH A POTENT ALLOSTERIC EFFECTOR | Descriptor: | 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID, HEMOGLOBIN ALPHA CHAIN, HEMOGLOBIN BETA CHAIN, ... | Authors: | Safo, M.K, Moure, C.M, Burnett, J.C, Joshi, G.S, Abraham, D.J. | Deposit date: | 2000-11-28 | Release date: | 2000-12-06 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | High-resolution crystal structure of deoxy hemoglobin complexed with a potent allosteric effector. Protein Sci., 10, 2001
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1G76
| 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: | 2023-08-09 | 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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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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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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1MKO
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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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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: | 2023-08-23 | 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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4LNL
| Structure of Escherichia coli Threonine Aldolase in Complex with Allo-Thr | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Low-specificity L-threonine aldolase, ... | Authors: | Safo, M.K. | Deposit date: | 2013-07-11 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | On the catalytic mechanism and stereospecificity of Escherichia coli l-threonine aldolase. Febs J., 281, 2014
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4L7Y
| Deoxygenated Hb in complex with the allosteric effectors, IRL2500 and 2,3-DPG | Descriptor: | (2R)-2,3-diphosphoglyceric acid, (2R)-2-({(2S)-3-(biphenyl-4-yl)-2-[(3,5-dimethylbenzoyl)(methyl)amino]propanoyl}amino)-3-(1H-indol-3-yl)propanoic acid (non-preferred name), Hemoglobin subunit alpha, ... | Authors: | Safo, M.K, Chowdhury, N. | Deposit date: | 2013-06-14 | Release date: | 2013-07-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel small molecule modulators of human hemoglobin oxygen binding identified by small molecule microarray screening To be Published
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4LNM
| Structure of Escherichia coli Threonine Aldolase in Complex with Serine | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Safo, M.K, Contestabile, R, Remesh, S.G. | Deposit date: | 2013-07-11 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | On the catalytic mechanism and stereospecificity of Escherichia coli l-threonine aldolase. Febs J., 281, 2014
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4LNJ
| Structure of Escherichia coli Threonine Aldolase in Unliganded Form | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Low-specificity L-threonine aldolase, ... | Authors: | Safo, M.K, Contestabile, R, Remesh, S.G. | Deposit date: | 2013-07-11 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | On the catalytic mechanism and stereospecificity of Escherichia coli l-threonine aldolase. Febs J., 281, 2014
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1SD4
| Crystal Structure of a SeMet derivative of BlaI at 2.0 A | Descriptor: | PENICILLINASE REPRESSOR, SULFATE ION | Authors: | Safo, M.K, Zhao, Q, Musayev, F.N, Robinson, H, Scarsdale, N, Archer, G.L. | Deposit date: | 2004-02-13 | Release date: | 2004-08-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 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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1SD6
| Crystal Structure of Native MecI at 2.65 A | Descriptor: | Methicillin resistance regulatory protein mecI | Authors: | Safo, M.K, Zhao, Q, Musayev, F.N, Robinson, H, Scarsdale, N, Archer, G.L. | Deposit date: | 2004-02-13 | Release date: | 2004-02-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.65 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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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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1SD7
| Crystal Structure of a SeMet derivative of MecI at 2.65 A | Descriptor: | Methicillin resistance regulatory protein mecI | Authors: | Safo, M.K, Zhao, Q, Musayev, F.N, Robinson, H, Scarsdale, N, Archer, G.L. | Deposit date: | 2004-02-13 | Release date: | 2004-02-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.65 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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3IC2
| Crystal Structure of liganded hemoglobin in complex with a potent antisickling agent, INN-266 | Descriptor: | 4-[(5-methoxy-2-methylphenoxy)methyl]pyridine, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Safo, M.K, Musayev, F.N, Gandhi, A.K, Jorge, P. | Deposit date: | 2009-07-17 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and in Vitro Chracterization of Pyridyl Derivatives of Benzaldehydes: Highly Potent Antisickling Agents To be Published
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3IC0
| Crystal Structure of liganded hemoglobin in complex with a potent antisickling agent, INN-298 | Descriptor: | 2-[(2-methoxy-5-methylphenoxy)methyl]pyridine, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Safo, M.K, Musayev, F.N, Gandhi, A.K, Jorge, P. | Deposit date: | 2009-07-17 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and in Vitro Chracterization of Pridyl Derivatives of Benzaldehydes: Highly Potent Antisickling Agents To be Published
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