4ROL
 
 | | 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
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6BWP
 | | Crystal structure of Deoxy Hemoglobin in complex with beta Cys93 modifying agent, TD3 | | Descriptor: | 1H-1,2,3-triazole-5-thiol, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Musayev, F.N, Safo, R.M, Safo, M.K. | | Deposit date: | 2017-12-15 | | Release date: | 2018-01-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 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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6KAV
 | | Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 140 K: Light | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | | Deposit date: | 2019-06-24 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6KAT
 | | Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 95 K: Light | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | | Deposit date: | 2019-06-24 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
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1QSH
 | | MAGNESIUM(II)-AND ZINC(II)-PROTOPORPHYRIN IX'S STABILIZE THE LOWEST OXYGEN AFFINITY STATE OF HUMAN HEMOGLOBIN EVEN MORE STRONGLY THAN DEOXYHEME | | Descriptor: | PROTEIN (HEMOGLOBIN ALPHA CHAIN), PROTEIN (HEMOGLOBIN BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Miyazaki, G, Morimoto, H, Yun, K.-M, Park, S.-Y, Nakagawa, A, Minagawa, H, Shibayama, N. | | Deposit date: | 1999-06-22 | | Release date: | 1999-07-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Magnesium(II) and zinc(II)-protoporphyrin IX's stabilize the lowest oxygen affinity state of human hemoglobin even more strongly than deoxyheme.
J.Mol.Biol., 292, 1999
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1QSI
 | | MAGNESIUM(II)-AND ZINC(II)-PROTOPORPHYRIN IX'S STABILIZE THE LOWEST OXYGEN AFFINITY STATE OF HUMAN HEMOGLOBIN EVEN MORE STRONGLY THAN DEOXYHEME | | Descriptor: | CARBON MONOXIDE, PROTEIN (HEMOGLOBIN ALPHA CHAIN), PROTEIN (HEMOGLOBIN BETA CHAIN), ... | | Authors: | Miyazaki, G, Morimoto, H, Yun, K.-M, Park, S.-Y, Nakagawa, A, Minagawa, H, Shibayama, N. | | Deposit date: | 1999-06-22 | | Release date: | 1999-07-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Magnesium(II) and zinc(II)-protoporphyrin IX's stabilize the lowest oxygen affinity state of human hemoglobin even more strongly than deoxyheme.
J.Mol.Biol., 292, 1999
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2D60
 | | Crystal structure of deoxy human hemoglobin complexed with two L35 molecules | | Descriptor: | 2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACID, Hemoglobin alpha subunit, Hemoglobin beta subunit, ... | | Authors: | Yokoyama, T, Neya, S, Tsuneshige, A, Yonetani, T, Park, S.Y, Tame, J.R. | | Deposit date: | 2005-11-08 | | Release date: | 2006-03-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | R-state haemoglobin with low oxygen affinity: crystal structures of deoxy human and carbonmonoxy horse haemoglobin bound to the effector molecule L35
J.Mol.Biol., 356, 2006
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1NQP
 | | Crystal structure of Human hemoglobin E at 1.73 A resolution | | Descriptor: | CYANIDE ION, Hemoglobin alpha chain, Hemoglobin beta chain, ... | | Authors: | Dasgupta, J, Sen, U, Choudhury, D, Dutta, P, Basu, S, Chakrabarti, A, Chakrabarty, A, Dattagupta, J.K. | | Deposit date: | 2003-01-22 | | Release date: | 2004-03-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystallization and preliminary X-ray structural Studies of Hemoglobin A2 and Hemoglobin E, isolated from the blood samples of Beta-thalassemic patients
Biochem.Biophys.Res.Commun., 303, 2004
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3HHB
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2HHB
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1CBM
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4HHB
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8FDL
 | | Human Hemoglobin with Nitrosochloramphenicol | | Descriptor: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Powell, S.M, Richter-Addo, G.B, Thomas, L.M. | | Deposit date: | 2022-12-03 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
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5E6E
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5UCU
 | | STRUCTURAL AND MECHANISTIC INSIGHTS INTO HEMOGLOBIN-CATALYZED HYDROGEN SULFIDE OXIDATION AND THE FATE OF POLYSULFIDE PRODUCTS | | Descriptor: | HYDROSULFURIC ACID, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Vitvitsky, V, Yadav, P.K, An, S, Seravalli, J, Cho, U.-S, Banerjee, R. | | Deposit date: | 2016-12-22 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.797 Å) | | Cite: | Structural and Mechanistic Insights into Hemoglobin-catalyzed Hydrogen Sulfide Oxidation and the Fate of Polysulfide Products.
J. Biol. Chem., 292, 2017
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1SDL
 | | CROSS-LINKED, CARBONMONOXY HEMOGLOBIN A | | Descriptor: | 1,3,5-BENZENETRICARBOXYLIC ACID, CARBON MONOXIDE, HEMOGLOBIN A, ... | | Authors: | Schumacher, M.A, Dixon, M.M, Kluger, R, Jones, R.T, Brennan, R.G. | | Deposit date: | 1996-02-26 | | Release date: | 1996-08-01 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Allosteric transition intermediates modelled by crosslinked haemoglobins.
Nature, 375, 1995
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1A3O
 | | ARTIFICIAL MUTANT (ALPHA Y42H) OF DEOXY HEMOGLOBIN | | Descriptor: | HEMOGLOBIN (ALPHA CHAIN), HEMOGLOBIN (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Tame, J, Vallone, B. | | Deposit date: | 1998-01-22 | | Release date: | 1998-04-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structures of deoxy human haemoglobin and the mutant Hb Tyralpha42His at 120 K.
Acta Crystallogr.,Sect.D, 56, 2000
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1SDK
 | | CROSS-LINKED, CARBONMONOXY HEMOGLOBIN A | | Descriptor: | 1,3,5-BENZENETRICARBOXYLIC ACID, CARBON MONOXIDE, HEMOGLOBIN A, ... | | Authors: | Schumacher, M.A, Dixon, M.M, Kluger, R, Jones, R.T, Brennan, R.G. | | Deposit date: | 1996-02-26 | | Release date: | 1996-08-01 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Allosteric transition intermediates modelled by crosslinked haemoglobins.
Nature, 375, 1995
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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
 | | 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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3IC0
 | | Crystal Structure of liganded hemoglobin in complex with a potent antisickling agent, INN-298 | | Descriptor: | 2-[(2-methoxy-5-methylphenoxy)methyl]pyridine, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Safo, M.K, Musayev, F.N, Gandhi, A.K, Jorge, P. | | Deposit date: | 2009-07-17 | | Release date: | 2009-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and in Vitro Chracterization of Pridyl Derivatives of Benzaldehydes: Highly Potent Antisickling Agents
To be Published
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1GBU
 | | DEOXY (BETA-(C93A,C112G)) HUMAN HEMOGLOBIN | | Descriptor: | HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Vasquez, G.B, Ji, X, Fronticelli, C, Gilliland, G.L. | | Deposit date: | 1996-01-04 | | Release date: | 1997-01-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cysteines beta93 and beta112 as probes of conformational and functional events at the human hemoglobin subunit interfaces.
Biophys.J., 76, 1999
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3D7O
 | | Human hemoglobin, nitrogen dioxide anion modified | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ... | | Authors: | Yi, J, Safo, M.K, Richter-Addo, G.B. | | Deposit date: | 2008-05-21 | | Release date: | 2009-05-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The nitrite anion binds to human hemoglobin via the uncommon O-nitrito mode.
Biochemistry, 47, 2008
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1O1N
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3NL7
 | | Human Hemoglobin A mutant beta H63W carbonmonoxy-form | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Birukou, I, Soman, J, Olson, J.S. | | Deposit date: | 2010-06-21 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Blocking the gate to ligand entry in human hemoglobin.
J.Biol.Chem., 286, 2011
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