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6XDT
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BU of 6xdt by Molmil
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
6XE7
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BU of 6xe7 by Molmil
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
6BNR
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BU of 6bnr by Molmil
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
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
5URC
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BU of 5urc by Molmil
Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease
Descriptor: (5-formylfuran-2-yl)methyl acetate, 5-HYDROXYMETHYL-FURFURAL, CARBON MONOXIDE, ...
Authors:Pagare, P.P, Safo, R.S, Gazi, A.
Deposit date:2017-02-10
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design, Synthesis, and Biological Evaluation of Ester and Ether Derivatives of Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease.
Mol. Pharm., 14, 2017
6DI4
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BU of 6di4 by Molmil
Rational Modification of Vanillin Derivatives to Stereospecifically Destabilize Sickle Hemoglobin Polymer Formation
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Pagare, P.P, Musayev, F.N.
Deposit date:2018-05-22
Release date:2018-09-05
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational modification of vanillin derivatives to stereospecifically destabilize sickle hemoglobin polymer formation.
Acta Crystallogr D Struct Biol, 74, 2018
5E6E
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BU of 5e6e by Molmil
Crystal Structure of Carbonmonoxy Sickle Hemoglobin in R-State Conformation
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Safo, M.K, Ahmed, M.H.
Deposit date:2015-10-09
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of carbonmonoxy sickle hemoglobin in R-state conformation.
J.Struct.Biol., 194, 2016

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