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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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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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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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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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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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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1MKO
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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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4PUS
 | | Crystal Structure of Influenza A Virus Matrix Protein M1 | | Descriptor: | Matrix protein 1 | | Authors: | Safo, M.K, Musayev, F.N, Mosier, P.D, Xie, H, Desai, U.R. | | Deposit date: | 2014-03-13 | | Release date: | 2014-10-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of influenza a virus matrix protein m1: variations on a theme.
Plos One, 9, 2014
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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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1FSX
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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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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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