1XXT
| The T-to-T High Transitions in Human Hemoglobin: wild-type deoxy Hb A (low salt, one test set) | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | Deposit date: | 2004-11-08 | Release date: | 2004-12-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions. Biochemistry, 44, 2005
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1Y4G
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4MQI
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3WCP
| Deoxyhemoglobin SH-drug complex | Descriptor: | (2R)-2,3-diphosphoglyceric acid, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Safo, M.K, Ko, T.P. | Deposit date: | 2013-05-30 | Release date: | 2013-06-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Deoxyhemoglobin SH-drug complex To be Published
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6BNR
| 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
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5U3I
| CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT compound 31 | Descriptor: | 2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B. | Deposit date: | 2016-12-02 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin. ACS Med Chem Lett, 8, 2017
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3W4U
| Human zeta-2 beta-2-s hemoglobin | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit beta, Hemoglobin subunit zeta, ... | Authors: | Safo, M.K, Ko, T.-P, Russell, J.E. | Deposit date: | 2013-01-16 | Release date: | 2013-02-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of fully liganded Hb zeta 2 beta 2(s) trapped in a tense conformation Acta Crystallogr.,Sect.D, 69, 2013
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1Y4P
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1Y7Z
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1XY0
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1ABW
| DEOXY RHB1.1 (RECOMBINANT HEMOGLOBIN) | Descriptor: | HEMOGLOBIN-BASED BLOOD SUBSTITUTE, LEUCINE, METHIONINE, ... | Authors: | Kundrot, C.E, Kroeger, K.S. | Deposit date: | 1997-01-29 | Release date: | 1998-06-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of a hemoglobin-based blood substitute: insights into the function of allosteric proteins. Structure, 5, 1997
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4M4B
| Human Hemoglobin Nitroethane Modified | Descriptor: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Yi, J, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2013-08-06 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Degradation of human hemoglobin by organic C-nitroso compounds. Chem.Commun.(Camb.), 49, 2013
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3KMF
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2HBE
| HIGH RESOLUTION X-RAY STRUCTURES OF MYOGLOBIN-AND HEMOGLOBIN-ALKYL ISOCYANIDE COMPLEXES | Descriptor: | HEMOGLOBIN A (N-BUTYL ISOCYANIDE) (ALPHA CHAIN), HEMOGLOBIN A (N-BUTYL ISOCYANIDE) (BETA CHAIN), N-BUTYL ISOCYANIDE, ... | Authors: | Johnson, K.A, Olson, J.S, Phillips Jr, G.N. | Deposit date: | 1994-08-31 | Release date: | 1995-02-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High Resolution X-Ray Structures of Myoglobin-and Hemoglobin-Alkyl Isocyanide Complexes Thesis, 1, 1993
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1A00
| HEMOGLOBIN (VAL BETA1 MET, TRP BETA37 TYR) MUTANT | Descriptor: | HEMOGLOBIN (ALPHA CHAIN), HEMOGLOBIN (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kavanaugh, J.S, Arnone, A. | Deposit date: | 1997-12-08 | Release date: | 1998-03-18 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-resolution crystal structures of human hemoglobin with mutations at tryptophan 37beta: structural basis for a high-affinity T-state,. Biochemistry, 37, 1998
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1A0Z
| HEMOGLOBIN (VAL BETA1 MET) MUTANT | Descriptor: | HEMOGLOBIN (ALPHA CHAIN), HEMOGLOBIN (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kavanaugh, J.S, Arnone, A. | Deposit date: | 1997-12-08 | Release date: | 1998-03-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-resolution crystal structures of human hemoglobin with mutations at tryptophan 37beta: structural basis for a high-affinity T-state,. Biochemistry, 37, 1998
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1J7W
| Crystal structure of deoxy HbbetaYQ, a site directed mutant of HbA | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, hemoglobin | Authors: | Miele, A.E, Draghi, F, Arcovito, A, Bellelli, A, Brunori, M, Travaglini-Allocatelli, C, Vallone, B. | Deposit date: | 2001-05-19 | Release date: | 2002-02-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Control of heme reactivity by diffusion: structural basis and functional characterization in hemoglobin mutants. Biochemistry, 40, 2001
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6BWU
| Crystal structure of carboxyhemoglobin in complex with beta Cys93 modifying agent, TD3 | Descriptor: | 1H-1,2,3-triazole-5-thiol, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Musayev, F.N, Safo, R.M, Safo, M.K. | Deposit date: | 2017-12-15 | Release date: | 2018-01-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 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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1O1K
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6XE7
| 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
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7UF6
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7UF7
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3P5Q
| Ferric R-state human aquomethemoglobin | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Yi, J, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2010-10-10 | Release date: | 2011-06-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of human R-state aquomethemoglobin at 2.0 A resolution Acta Crystallogr.,Sect.F, 67, 2011
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6HBW
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3HXN
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