1G78
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![BU of 1g78 by Molmil](/molmil-images/mine/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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3ONZ
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![BU of 3onz by Molmil](/molmil-images/mine/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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6DI4
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![BU of 6di4 by Molmil](/molmil-images/mine/6di4) | |
2QX1
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![BU of 2qx1 by Molmil](/molmil-images/mine/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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6BNR
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![BU of 6bnr by Molmil](/molmil-images/mine/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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3R5I
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![BU of 3r5i by Molmil](/molmil-images/mine/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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4HBN
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![BU of 4hbn by Molmil](/molmil-images/mine/4hbn) | Crystal structure of the human HCN4 channel C-terminus carrying the S672R mutation | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, PHOSPHATE ION, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 | Authors: | Xu, X, Marni, F, Wu, X, Su, Z, Musayev, F, Shrestha, S, Xie, C, Gao, W, Liu, Q, Zhou, L. | Deposit date: | 2012-09-28 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Local and Global Interpretations of a Disease-Causing Mutation near the Ligand Entry Path in Hyperpolarization-Activated cAMP-Gated Channel. Structure, 20, 2012
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1G76
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![BU of 1g76 by Molmil](/molmil-images/mine/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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4EOH
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![BU of 4eoh by Molmil](/molmil-images/mine/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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4EN4
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![BU of 4en4 by Molmil](/molmil-images/mine/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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4FAK
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![BU of 4fak by Molmil](/molmil-images/mine/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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1JNW
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![BU of 1jnw by Molmil](/molmil-images/mine/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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3FYD
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![BU of 3fyd by Molmil](/molmil-images/mine/3fyd) | |
7UF6
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![BU of 7uf6 by Molmil](/molmil-images/mine/7uf6) | |
7UF7
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![BU of 7uf7 by Molmil](/molmil-images/mine/7uf7) | |
7UAT
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![BU of 7uat by Molmil](/molmil-images/mine/7uat) | The crystal structure of the K36A mutant of E. coli YGGS in complex with PLP | Descriptor: | PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein | Authors: | Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K. | Deposit date: | 2022-03-14 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability. Protein Sci., 31, 2022
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7UB8
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![BU of 7ub8 by Molmil](/molmil-images/mine/7ub8) | The crystal structure of the K38A/K137A/K233A/K234A quadruple mutant of E. coli YGGS in complex with PLP | Descriptor: | 1,4-BUTANEDIOL, PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein | Authors: | Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K. | Deposit date: | 2022-03-14 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability. Protein Sci., 31, 2022
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7UAU
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![BU of 7uau by Molmil](/molmil-images/mine/7uau) | The crystal structure of the K137A mutant of E. coli YGGS in complex with PLP | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein, SULFATE ION | Authors: | Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K. | Deposit date: | 2022-03-14 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability. Protein Sci., 31, 2022
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7UBP
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![BU of 7ubp by Molmil](/molmil-images/mine/7ubp) | The crystal structure of the K36A/K137A double mutant of E. coli YGGS in complex with PLP | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein, SULFATE ION | Authors: | Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K. | Deposit date: | 2022-03-15 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability. Protein Sci., 31, 2022
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7UD7
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![BU of 7ud7 by Molmil](/molmil-images/mine/7ud7) | Crystal structure of deoxygenated hemoglobin in complex with 5HMF-NO at 1.8 Angstrom | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Donkor, A.K, Musayev, F.N, Safo, M.K. | Deposit date: | 2022-03-18 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease. Biomolecules, 12, 2022
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7UD8
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![BU of 7ud8 by Molmil](/molmil-images/mine/7ud8) | Crystal structure of carbon monoxy Hemoglobin in complex with 5HMF at 1.8 Angstrom | Descriptor: | (5-methylfuran-2-yl)methanol, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Donkor, A.K, Musayev, F.N, Safo, M.S. | Deposit date: | 2022-03-18 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease. Biomolecules, 12, 2022
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7U9H
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![BU of 7u9h by Molmil](/molmil-images/mine/7u9h) | Crystal Structure of Escherichia coli apo Pyridoxal 5'-phosphate homeostasis protein (YGGS) | Descriptor: | Pyridoxal phosphate homeostasis protein, SULFATE ION | Authors: | Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K. | Deposit date: | 2022-03-10 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability. Protein Sci., 31, 2022
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1QXE
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![BU of 1qxe by Molmil](/molmil-images/mine/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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3HZZ
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![BU of 3hzz by Molmil](/molmil-images/mine/3hzz) | |
1QXD
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![BU of 1qxd by Molmil](/molmil-images/mine/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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