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PDB: 314 件
1QXE
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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
5URC
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Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease
分子名称: (5-formylfuran-2-yl)methyl acetate, 5-HYDROXYMETHYL-FURFURAL, CARBON MONOXIDE, ...
著者Pagare, P.P, Safo, R.S, Gazi, A.
登録日2017-02-10
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
1O1M
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BU of 1o1m by Molmil
Deoxy hemoglobin (A-GLYGLYGLY-C:V1M,L29F,H58Q B,D:V1M,V67W)
分子名称: Hemoglobin Alpha chain, Hemoglobin Beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Brucker, E.A.
登録日2002-11-17
公開日2002-12-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献

5E29
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BU of 5e29 by Molmil
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
5SW7
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BU of 5sw7 by Molmil
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
1KD2
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BU of 1kd2 by Molmil
Crystal Structure of Human Deoxyhemoglobin in Absence of Any Anions
分子名称: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Colombo, M.F, Seixas, F.A.V.
登録日2001-11-12
公開日2003-06-10
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The X-Ray Structure of Iso-Ionic Deoxy-Hb Crystal: The High Affinity T-state of Human Hb and the Mechanism of Chloride Regulation of Hb Cooperative Oxygen Binding.
To be Published
1K0Y
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BU of 1k0y by Molmil
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
8FDK
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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
1Y7D
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T-To-T(High) quaternary transitions in human hemoglobin: betaP100G deoxy low-salt (1 test set)
分子名称: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Kavanaugh, J.S, Rogers, P.H, Arnone, A.
登録日2004-12-08
公開日2004-12-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
1Y83
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T-To-T(High) quaternary transitions in human hemoglobin: betaY145G deoxy low-salt (1 test set)
分子名称: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Kavanaugh, J.S, Rogers, P.H, Arnone, A.
登録日2004-12-10
公開日2004-12-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
1BUW
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BU of 1buw by Molmil
CRYSTAL STRUCTURE OF S-NITROSO-NITROSYL HUMAN HEMOGLOBIN A
分子名称: NITRIC OXIDE, PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE
著者Chan, N.-L, Rogers, P.H, Arnone, A.
登録日1998-09-06
公開日1998-09-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the S-nitroso form of liganded human hemoglobin.
Biochemistry, 37, 1998
6DI4
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BU of 6di4 by Molmil
Rational Modification of Vanillin Derivatives to Stereospecifically Destabilize Sickle Hemoglobin Polymer Formation
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Pagare, P.P, Musayev, F.N.
登録日2018-05-22
公開日2018-09-05
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational modification of vanillin derivatives to stereospecifically destabilize sickle hemoglobin polymer formation.
Acta Crystallogr D Struct Biol, 74, 2018
4NI1
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BU of 4ni1 by Molmil
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
1VWT
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BU of 1vwt by Molmil
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
1HBB
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BU of 1hbb by Molmil
HIGH-RESOLUTION X-RAY STUDY OF DEOXYHEMOGLOBIN ROTHSCHILD 37BETA TRP-> ARG: A MUTATION THAT CREATES AN INTERSUBUNIT CHLORIDE-BINDING SITE
分子名称: HEMOGLOBIN A (DEOXY) (ALPHA CHAIN), HEMOGLOBIN A (DEOXY) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE
著者Kavanaugh, J.S, Arnone, A.
登録日1992-01-07
公開日1994-01-31
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High-resolution X-ray study of deoxyhemoglobin Rothschild 37 beta Trp----Arg: a mutation that creates an intersubunit chloride-binding site.
Biochemistry, 31, 1992
1CLS
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BU of 1cls by Molmil
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
4ROM
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BU of 4rom by Molmil
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
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
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
1O1J
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BU of 1o1j by Molmil
Deoxy hemoglobin (A-GLY-C:V1M,L29F,H58Q; B,D:V1M,L106W)
分子名称: Hemoglobin Alpha chain, Hemoglobin Beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Brucker, E.A.
登録日2002-11-17
公開日2002-12-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献

4N8T
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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
3OO4
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BU of 3oo4 by Molmil
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
1XZ2
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BU of 1xz2 by Molmil
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
1XZ7
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BU of 1xz7 by Molmil
T-to-THigh Quaternary Transitions in Human Hemoglobin: alphaR92A deoxy low-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.
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Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
1Y4G
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T-To-T(High) quaternary transitions in human hemoglobin: betaW37G deoxy low-salt (10 test sets)
分子名称: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Kavanaugh, J.S, Rogers, P.H, Arnone, A.
登録日2004-11-30
公開日2004-12-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
8FDM
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BU of 8fdm by Molmil
Human Hemoglobin in Complex with Nitrosomethane
分子名称: GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Powell, S.M, Richter-Addo, G.B, Thomas, L.M.
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 (1.91 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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