5E29
 
 | | Crystal Structure of Deoxygenated Hemoglobin in Complex with an Allosteric Effector and Nitric Oxide | | 分子名称: | 2-(nitrooxy)ethyl 2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoate, 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID, CACODYLATE ION, ... | | 著者 | Safo, M.K, Deshpande, T.M. | | 登録日 | 2015-09-30 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Design, Synthesis, and Investigation of Novel Nitric Oxide (NO)-Releasing Prodrugs as Drug Candidates for the Treatment of Ischemic Disorders: Insights into NO-Releasing Prodrug Biotransformation and Hemoglobin-NO Biochemistry.
Biochemistry, 54, 2015
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1QXE
 | | Structural Basis for the Potent Antisickling Effect of a Novel Class of 5-Membered Heterocyclic Aldehydic Compounds | | 分子名称: | 5-HYDROXYMETHYL-FURFURAL, Hemoglobin alpha chain, Hemoglobin beta chain, ... | | 著者 | Safo, M.K, Abdulmalik, O, Danso-Danquah, R, Nokuri, S, Joshi, G.S, Musayev, F.N, Asakura, T, Abraham, D.J. | | 登録日 | 2003-09-05 | | 公開日 | 2003-09-16 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | 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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1G9V
 | | HIGH RESOLUTION CRYSTAL STRUCTURE OF DEOXY HEMOGLOBIN COMPLEXED WITH A POTENT ALLOSTERIC EFFECTOR | | 分子名称: | 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID, HEMOGLOBIN ALPHA CHAIN, HEMOGLOBIN BETA CHAIN, ... | | 著者 | Safo, M.K, Moure, C.M, Burnett, J.C, Joshi, G.S, Abraham, D.J. | | 登録日 | 2000-11-28 | | 公開日 | 2000-12-06 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | High-resolution crystal structure of deoxy hemoglobin complexed with a potent allosteric effector.
Protein Sci., 10, 2001
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3WHM
 | | Structure of Hemoglobin Complex with 18-crown-6 | | 分子名称: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Lee, C.C, Lin, L.L, Wang, A.H.J. | | 登録日 | 2013-08-27 | | 公開日 | 2014-10-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crowning proteins: modulating the protein surface properties using crown ethers.
Angew.Chem.Int.Ed.Engl., 53, 2014
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5SW7
 | | Structure of the Human Hemoglobin Mutant Hb Providence (A-Gly-C:V1M; B,D:V1M,K82D; Ferrous, carbonmonoxy bound) | | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Soman, J, Olson, J.S. | | 登録日 | 2016-08-08 | | 公開日 | 2016-08-31 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.851 Å) | | 主引用文献 | Structure of the Human Hemoglobin Mutant Hb Providence (A-Gly-C:V1M; B,D:V1M,K82D; Ferrous, carbonmonoxy bound)
To Be Published
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8WXW
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1K0Y
 | | X-ray Crystallographic Analyses of Symmetrical Allosteric Effectors of Hemoglobin. Compounds Designed to Link Primary and Secondary Binding Sites | | 分子名称: | 2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)-METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | 著者 | Safo, M.K, Boyiri, T, Burnett, J.C, Danso-Danquah, R, Moure, C.M, Joshi, G.S, Abraham, D.J. | | 登録日 | 2001-09-21 | | 公開日 | 2001-10-03 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | X-ray crystallographic analyses of symmetrical allosteric effectors of hemoglobin: compounds designed to link primary and secondary binding sites.
Acta Crystallogr.,Sect.D, 58, 2002
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1KD2
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1SHR
 | | Crystal structure of ferrocyanide bound human hemoglobin A2 at 1.88A resolution | | 分子名称: | CYANIDE ION, FE (III) ION, Hemoglobin alpha chain, ... | | 著者 | Sen, U, Dasgupta, J, Choudhury, D, Datta, P, Chakrabarti, A, Chakrabarty, S.B, Chakrabarty, A, Dattagupta, J.K. | | 登録日 | 2004-02-26 | | 公開日 | 2004-10-26 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Crystal structures of HbA2 and HbE and modeling of hemoglobin delta4: interpretation of the thermal stability and the antisickling effect of HbA2 and identification of the ferrocyanide binding site in Hb
Biochemistry, 43, 2004
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8FDK
 | | Phenylhydroxylamine in Reaction with Human Hemoglobin | | 分子名称: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Powell, S.M, Thomas, L.M, Richter-Addo, G.B. | | 登録日 | 2022-12-03 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | 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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1BUW
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1O1J
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1XZ7
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1HBB
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1XZ2
 | | wild-type hemoglobin deoxy no-salt | | 分子名称: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Kavanaugh, J.S, Rogers, P.H, Arnone, A, Hui, H.L, Wierzba, A, DeYoung, A, Kwiatkowski, L.D, Noble, R.W, Juszczak, L.J, Peterson, E.S, Friedman, J.M. | | 登録日 | 2004-11-11 | | 公開日 | 2004-11-30 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Intersubunit interactions associated with tyr42alpha stabilize the quaternary-T tetramer but are not major quaternary constraints in deoxyhemoglobin
Biochemistry, 44, 2005
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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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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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4N8T
 | | Human hemoglobin nitric oxide adduct | | 分子名称: | Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRIC OXIDE, ... | | 著者 | Yi, J, Richter-Addo, G.B. | | 登録日 | 2013-10-18 | | 公開日 | 2014-10-08 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystallographic characterization of the nitric oxide derivative of R-state human hemoglobin.
Nitric Oxide, 39, 2014
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6DI4
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1Y7D
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1Y83
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1CLS
 | | CROSS-LINKED HUMAN HEMOGLOBIN DEOXY | | 分子名称: | HEMOGLOBIN, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Ji, X, Fronticelli, C, Bucci, E, Gilliland, G.L. | | 登録日 | 1995-08-29 | | 公開日 | 1996-10-14 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Positive and negative cooperativities at subsequent steps of oxygenation regulate the allosteric behavior of multistate sebacylhemoglobin.
Biochemistry, 35, 1996
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4NI1
 | | Quaternary R CO-liganded hemoglobin structure in complex with a thiol containing compound | | 分子名称: | 5-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | 著者 | Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W. | | 登録日 | 2013-11-05 | | 公開日 | 2014-09-17 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling.
Acs Chem.Biol., 9, 2014
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1VWT
 | | T STATE HUMAN HEMOGLOBIN [ALPHA V96W], ALPHA AQUOMET, BETA DEOXY | | 分子名称: | HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | 著者 | Puius, Y.A, Zou, M, Ho, N.T, Ho, C, Almo, S.C. | | 登録日 | 1997-03-20 | | 公開日 | 1998-03-25 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Novel water-mediated hydrogen bonds as the structural basis for the low oxygen affinity of the blood substitute candidate rHb(alpha 96Val-->Trp).
Biochemistry, 37, 1998
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3OO4
 | | R-state human hemoglobin: nitriheme modified at alpha | | 分子名称: | Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ... | | 著者 | Yi, J, Thormas, L.M, 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 (1.9 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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