6XB8
 
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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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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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1KM9
 | | 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 (1.96 Å) | | Cite: | The Structure of a Cytotoxic Ribonuclease From the Oocyte of Rana Catesbeiana (Bullfrog)
To be Published
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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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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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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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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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2QNZ
 | | Crystal structure of the complex between the mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and SS-(2-hydroxyethyl)-O-decyl ester carbono(dithioperoxoic) acid | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, BETA-MERCAPTOETHANOL, DECYL FORMATE | | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | | Deposit date: | 2007-07-19 | | Release date: | 2008-05-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Chem.Biol., 15, 2008
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2QO0
 | | Crystal structure of the complex between the A246F mutant of mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and 11-(decyldithiocarbonyloxy)-undecanoic acid | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, DECANE-1-THIOL | | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | | Deposit date: | 2007-07-19 | | Release date: | 2008-05-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Chem.Biol., 15, 2008
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2QNY
 | | Crystal structure of the complex between the A246F mutant of mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and SS-(2-hydroxyethyl) O-decyl ester carbono(dithioperoxoic) acid | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, BETA-MERCAPTOETHANOL, DECYL FORMATE | | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | | Deposit date: | 2007-07-19 | | Release date: | 2008-05-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Chem.Biol., 15, 2008
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2QNX
 | | Crystal structure of the complex between the mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and 11-[(decyloxycarbonyl)dithio]-undecanoic acid | | Descriptor: | 11-MERCAPTOUNDECANOIC ACID, 3-oxoacyl-[acyl-carrier-protein] synthase 3, O-DECYL HYDROGEN THIOCARBONATE | | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | | Deposit date: | 2007-07-19 | | Release date: | 2008-05-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Chem.Biol., 15, 2008
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7N3R
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7N3S
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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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2QO1
 | | 2.6 Angstrom Crystal Structure of the Complex Between 11-(decyldithiocarbonyloxy)-undecanoic acid and Mycobacterium Tuberculosis FabH. | | Descriptor: | 11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC ACID, 3-oxoacyl-[acyl-carrier-protein] synthase 3, DECANE-1-THIOL | | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | | Deposit date: | 2007-07-19 | | Release date: | 2008-05-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Chem.Biol., 15, 2008
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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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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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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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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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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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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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2QX1
 | | Crystal structure of the complex between mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III (FABH) and decyl-COA disulfide | | Descriptor: | Beta-ketoacyl-ACP synthase III, COENZYME A, DECANE-1-THIOL | | Authors: | Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. | | Deposit date: | 2007-08-10 | | Release date: | 2008-03-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Probing reactivity and substrate specificity of both subunits of the dimeric Mycobacterium tuberculosis FabH using alkyl-CoA disulfide inhibitors and acyl-CoA substrates
Bioorg.Chem., 36, 2008
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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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