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4ROM
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BU of 4rom by Molmil
Deoxyhemoglobin in complex with imidazolylacryloyl derivatives
Descriptor: 4-{2-chloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Omar, A.M, Mahran, M.A, Ghatge, M.N, Chowdhury, N, Bamane, F.H.A, El-Araby, M.E, Abdulmalik, O, Safo, M.K.
Deposit date:2014-10-28
Release date:2015-05-20
Last modified:2015-06-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of a novel class of covalent modifiers of hemoglobin as potential antisickling agents.
Org.Biomol.Chem., 13, 2015
4ROL
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BU of 4rol by Molmil
Deoxyhemoglobin in complex with imidazolylacryloyl derivatives
Descriptor: 4-{2,3-dichloro-4-[3-(1H-imidazol-2-yl)propanoyl]phenoxy}butanoic acid, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Omar, A.M, Mahran, M.A, Ghatge, M.N, Chowdhury, N, Bamane, F.H.A, El-Araby, M.E, Abdulmalik, O, Safo, M.K.
Deposit date:2014-10-28
Release date:2015-05-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification of a novel class of covalent modifiers of hemoglobin as potential antisickling agents.
Org.Biomol.Chem., 13, 2015
5KDQ
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BU of 5kdq by Molmil
Deoxyhemoglobin in Complex with an Aryloxyalkanoic acid
Descriptor: 3-[2-chloranyl-4-(1~{H}-imidazol-2-yl)phenoxy]propanoic acid, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Ahmed, M.H, Omar, A.M, Safo, M.K.
Deposit date:2016-06-08
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Aryloxyalkanoic Acids as Non-Covalent Modifiers of the Allosteric Properties of Hemoglobin.
Molecules, 21, 2016
8EGI
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BU of 8egi by Molmil
X-ray structure of carbonmonoxy hemoglobin in complex with VZHE039-NO
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Donkor, A.K, Musayev, F.N, Safo, M.K.
Deposit date:2022-09-12
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
7UF6
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BU of 7uf6 by Molmil
Crystal structure of liganded Hb with the 5-HMF analog, MMA509
Descriptor: (2S)-2-(5-methylfuran-2-yl)oxane, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Donkor, A.K, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-22
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Improving the antisickling activity of furaldehyde
To be published
7UF7
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BU of 7uf7 by Molmil
Crystal structure of liganded Hb with the 5-HMF analog, MMA503
Descriptor: (5P)-5-(5-methylfuran-2-yl)-1H-pyrazole, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Donkor, A.K, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-22
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Improving the antisickling activity of furaldehyde
To be published
7N3S
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BU of 7n3s by Molmil
Human bisphosphoglycerate mutase complex with 2-phosphoglycolate
Descriptor: 2-PHOSPHOGLYCOLIC ACID, Bisphosphoglycerate mutase
Authors:Aljahdali, A.S, Musayev, F.N, Safo, M.K.
Deposit date:2021-06-01
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Molecular insight into 2-phosphoglycolate activation of the phosphatase activity of bisphosphoglycerate mutase.
Acta Crystallogr D Struct Biol, 78, 2022
7N3R
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BU of 7n3r by Molmil
The ternary complex of human Bisphosphoglycerate mutase with 3-phosphoglycerate and 2-phosphoglycolate
Descriptor: 2-PHOSPHOGLYCOLIC ACID, 3-PHOSPHOGLYCERIC ACID, Bisphosphoglycerate mutase
Authors:Aljahdali, A.S, Musayev, F.N, Safo, M.K.
Deposit date:2021-06-01
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Molecular insight into 2-phosphoglycolate activation of the phosphatase activity of bisphosphoglycerate mutase.
Acta Crystallogr D Struct Biol, 78, 2022
6XD9
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BU of 6xd9 by Molmil
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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