6BWP
 
 | | Crystal structure of Deoxy Hemoglobin in complex with beta Cys93 modifying agent, TD3 | | 分子名称: | 1H-1,2,3-triazole-5-thiol, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Musayev, F.N, Safo, R.M, Safo, M.K. | | 登録日 | 2017-12-15 | | 公開日 | 2018-01-03 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A Triazole Disulfide Compound Increases the Affinity of Hemoglobin for Oxygen and Reduces the Sickling of Human Sickle Cells.
Mol. Pharm., 15, 2018
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6BWU
 | | Crystal structure of carboxyhemoglobin in complex with beta Cys93 modifying agent, TD3 | | 分子名称: | 1H-1,2,3-triazole-5-thiol, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | 著者 | Musayev, F.N, Safo, R.M, Safo, M.K. | | 登録日 | 2017-12-15 | | 公開日 | 2018-01-03 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A Triazole Disulfide Compound Increases the Affinity of Hemoglobin for Oxygen and Reduces the Sickling of Human Sickle Cells.
Mol. Pharm., 15, 2018
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5V7B
 | | Crystal structure of Influenza A virus matrix protein M1 (NLS-88E) | | 分子名称: | Matrix protein 1 | | 著者 | Musayev, F.N, Safo, M.K, Desai, U.R, Xie, H, Mosier, P.D, Chiang, M.-J. | | 登録日 | 2017-03-20 | | 公開日 | 2017-04-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Maintaining pH-dependent conformational flexibility of M1 is critical for efficient influenza A virus replication.
Emerg Microbes Infect, 6, 2017
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5KSJ
 | | Crystal structure of deoxygenated hemoglobin in complex with Sphingosine phosphate | | 分子名称: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Ahmed, M.H, Safo, M.K, Xia, Y. | | 登録日 | 2016-07-08 | | 公開日 | 2017-07-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
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3D7O
 | | Human hemoglobin, nitrogen dioxide anion modified | | 分子名称: | Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ... | | 著者 | Yi, J, Safo, M.K, Richter-Addo, G.B. | | 登録日 | 2008-05-21 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The nitrite anion binds to human hemoglobin via the uncommon O-nitrito mode.
Biochemistry, 47, 2008
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7K4M
 | | Crystal structure of MetAP2 Modified Hemoglobin S | | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Musayev, F.N, Safo, M.K, Light, D.R. | | 登録日 | 2020-09-15 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | MetAP2 inhibition modifies hemoglobin S to delay polymerization and improves blood flow in sickle cell disease.
Blood Adv, 5, 2021
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5KSI
 | | Crystal structure of deoxygenated hemoglobin in complex with sphingosine phosphate and 2,3-Bisphosphoglycerate | | 分子名称: | (2R)-2,3-diphosphoglyceric acid, (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, ... | | 著者 | Ahmed, M.H, Safo, M.K, Xia, Y. | | 登録日 | 2016-07-08 | | 公開日 | 2017-07-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
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8EGI
 | | X-ray structure of carbonmonoxy hemoglobin in complex with VZHE039-NO | | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Donkor, A.K, Musayev, F.N, Safo, M.K. | | 登録日 | 2022-09-12 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Design, Synthesis, and Investigation of Novel Nitric Oxide (NO)-Releasing Aromatic Aldehydes as Drug Candidates for the Treatment of Sickle Cell Disease.
Molecules, 27, 2022
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5KDQ
 | | Deoxyhemoglobin in Complex with an Aryloxyalkanoic acid | | 分子名称: | 3-[2-chloranyl-4-(1~{H}-imidazol-2-yl)phenoxy]propanoic acid, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Ahmed, M.H, Omar, A.M, Safo, M.K. | | 登録日 | 2016-06-08 | | 公開日 | 2016-06-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Aryloxyalkanoic Acids as Non-Covalent Modifiers of the Allosteric Properties of Hemoglobin.
Molecules, 21, 2016
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1CEI
 | | STRUCTURE DETERMINATION OF THE COLICIN E7 IMMUNITY PROTEIN (IMME7) THAT BINDS SPECIFICALLY TO THE DNASE-TYPE COLICIN E7 AND INHIBITS ITS BACTERIOCIDAL ACTIVITY | | 分子名称: | COLICIN E7 IMMUNITY PROTEIN | | 著者 | Chak, K.-F, Safo, M.K, Ku, W.-Y, Hsieh, S.-Y, Yuan, H.S. | | 登録日 | 1996-03-19 | | 公開日 | 1997-03-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The crystal structure of the immunity protein of colicin E7 suggests a possible colicin-interacting surface.
Proc.Natl.Acad.Sci.USA, 93, 1996
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6XD9
 | | Carbonmonoxy hemoglobin in complex with the antisickling agent 2-hydroxy-6-((6-(hydroxymethyl)pyridin-2-yl)methoxy)benzaldehyde (VZHE039) | | 分子名称: | 3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | 著者 | Pagare, P.P, Safo, M.K, Musayev, F.N. | | 登録日 | 2020-06-10 | | 公開日 | 2020-12-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | 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 | | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Pagare, P.P, Safo, M.K, Musayev, F.N. | | 登録日 | 2020-06-11 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 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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6XE7
 | | Carbonmonoxy hemoglobin in complex with the antisickling agent methyl 2-((2-formyl-3-hydroxyphenoxy)methyl)nicotinate | | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Pagare, P.P, Safo, M.K, Musayev, F.N. | | 登録日 | 2020-06-12 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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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7N3S
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7N3R
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3ONZ
 | | Human tetrameric hemoglobin: proximal nitrite ligand at beta | | 分子名称: | Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ... | | 著者 | Yi, J, Thormas, L.M, Safo, M.K, Musayev, F.N, Richter-Addo, G.B. | | 登録日 | 2010-08-30 | | 公開日 | 2011-09-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.087 Å) | | 主引用文献 | Crystallographic Trapping of Heme Loss Intermediates during the Nitrite-Induced Degradation of Human Hemoglobin.
Biochemistry, 50, 2011
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6BNR
 | | Carbonmonoxy hemoglobin in complex with the antisickling agent 5-methoxy-2-(pyridin-2-ylmethoxy)benzaldehyde (INN310) | | 分子名称: | 2-[(4-methoxy-2-methylphenoxy)methyl]pyridine, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | 著者 | Pagare, P.P, Musayev, F.N, Safo, M.K. | | 登録日 | 2017-11-17 | | 公開日 | 2018-09-05 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Rational design of pyridyl derivatives of vanillin for the treatment of sickle cell disease.
Bioorg. Med. Chem., 26, 2018
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5V6G
 | | Crystal structure of Influenza A virus Matrix Protein M1(NLS-88R) | | 分子名称: | Matrix protein 1 | | 著者 | Musayev, F.N, Safo, M.K, Desai, U.R, Xie, H, Mosier, P.D, Chiang, M.-J. | | 登録日 | 2017-03-16 | | 公開日 | 2017-04-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Maintaining pH-dependent conformational flexibility of M1 is critical for efficient influenza A virus replication.
Emerg Microbes Infect, 6, 2017
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5V7S
 | | Crystal structure of Influenza A virus matrix protein M1 (NLS-88E, pH 6.2) | | 分子名称: | Matrix protein 1, PHOSPHATE ION | | 著者 | Musayev, F.N, Safo, M.K, Althufairi, B, Desai, U.R, Xie, H, Mosier, P.D, Chiang, M.-J, Zhou, Q. | | 登録日 | 2017-03-20 | | 公開日 | 2017-04-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Maintaining pH-dependent conformational flexibility of M1 is critical for efficient influenza A virus replication.
Emerg Microbes Infect, 6, 2017
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5V8A
 | | Crystal structure of Influenza A virus matrix protein M1 (NLS-88R, pH 7.3) | | 分子名称: | Matrix protein 1 | | 著者 | Musayev, F.N, Safo, M.K, Desai, U.R, Xie, H, Mosier, P.D, Zhou, Q, Chiang, M.-J, Kosikova, M. | | 登録日 | 2017-03-21 | | 公開日 | 2017-04-19 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Maintaining pH-dependent conformational flexibility of M1 is critical for efficient influenza A virus replication.
Emerg Microbes Infect, 6, 2017
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1JNW
 | | Active Site Structure of E. coli pyridoxine 5'-phosphate Oxidase | | 分子名称: | FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ... | | 著者 | di Salvo, M.L, Ko, T.P, Musayev, F.N, Raboni, S, Schirch, V, Safo, M.K. | | 登録日 | 2001-07-25 | | 公開日 | 2001-08-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Active site structure and stereospecificity of Escherichia coli pyridoxine-5'-phosphate oxidase.
J.Mol.Biol., 315, 2002
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4ROM
 | | Deoxyhemoglobin in complex with imidazolylacryloyl derivatives | | 分子名称: | 4-{2-chloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Omar, A.M, Mahran, M.A, Ghatge, M.N, Chowdhury, N, Bamane, F.H.A, El-Araby, M.E, Abdulmalik, O, Safo, M.K. | | 登録日 | 2014-10-28 | | 公開日 | 2015-05-20 | | 最終更新日 | 2015-06-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Identification of a novel class of covalent modifiers of hemoglobin as potential antisickling agents.
Org.Biomol.Chem., 13, 2015
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4ROL
 | | Deoxyhemoglobin in complex with imidazolylacryloyl derivatives | | 分子名称: | 4-{2,3-dichloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Omar, A.M, Mahran, M.A, Ghatge, M.N, Chowdhury, N, Bamane, F.H.A, El-Araby, M.E, Abdulmalik, O, Safo, M.K. | | 登録日 | 2014-10-28 | | 公開日 | 2015-05-20 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Identification of a novel class of covalent modifiers of hemoglobin as potential antisickling agents.
Org.Biomol.Chem., 13, 2015
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7UAX
 | | The crystal structure of the K36A/K38A double mutant of E. coli YGGS in complex with PLP | | 分子名称: | PHOSPHATE ION, Pyridoxal phosphate homeostasis protein | | 著者 | Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K. | | 登録日 | 2022-03-14 | | 公開日 | 2022-03-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | 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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7U9H
 | | Crystal Structure of Escherichia coli apo Pyridoxal 5'-phosphate homeostasis protein (YGGS) | | 分子名称: | Pyridoxal phosphate homeostasis protein, SULFATE ION | | 著者 | Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K. | | 登録日 | 2022-03-10 | | 公開日 | 2022-03-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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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