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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4IRO
 | | Crystal structure of T-state carbonmonoxy hemoglobin from Trematomus bernacchii at pH 8.4 | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Merlino, A, Balsamo, A, Mazzarella, L, Vergara, A. | | Deposit date: | 2013-01-15 | | Release date: | 2013-02-20 | | Last modified: | 2013-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Role of tertiary structures on the Root effect in fish hemoglobins.
Biochim.Biophys.Acta, 1834, 2013
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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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5UFJ
 | | Crystal Structure of Carbonmonoxy Hemoglobin S (Liganded Sickle Cell Hemoglobin) Complexed with GBT Compound 6 | | Descriptor: | 5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | Authors: | Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B. | | Deposit date: | 2017-01-04 | | Release date: | 2017-02-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.05 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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4NI0
 | | Quaternary R3 CO-liganded hemoglobin structure in complex with a thiol containing compound | | Descriptor: | 5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | Authors: | Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W. | | Deposit date: | 2013-11-05 | | Release date: | 2014-08-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling.
Acs Chem.Biol., 9, 2014
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4NI1
 | | Quaternary R CO-liganded hemoglobin structure in complex with a thiol containing compound | | Descriptor: | 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, ... | | Authors: | Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W. | | Deposit date: | 2013-11-05 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling.
Acs Chem.Biol., 9, 2014
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7E99
 | | Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 13% oxygen saturation | | Descriptor: | Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, Extracellular giant hemoglobin major globin subunit B2, ... | | Authors: | Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. | | Deposit date: | 2021-03-03 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state.
Iucrj, 8, 2021
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7E97
 | | Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 58% oxygen saturation | | Descriptor: | Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, Extracellular giant hemoglobin major globin subunit B2, ... | | Authors: | Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. | | Deposit date: | 2021-03-03 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state.
Iucrj, 8, 2021
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7E98
 | | Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 21% oxygen saturation | | Descriptor: | Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, Extracellular giant hemoglobin major globin subunit B2, ... | | Authors: | Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. | | Deposit date: | 2021-03-03 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state.
Iucrj, 8, 2021
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7E96
 | | Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 69% oxygen saturation | | Descriptor: | CALCIUM ION, Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, ... | | Authors: | Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. | | Deposit date: | 2021-03-03 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state.
Iucrj, 8, 2021
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2R1H
 | | met-Trout IV hemoglobin at pH 6.3 | | Descriptor: | 1,2-ETHANEDIOL, Hemoglobin subunit alpha-4, Hemoglobin subunit beta-4, ... | | Authors: | Aranda IV, R, Worley, C.E, Richards, M.P, Phillips Jr, G.N. | | Deposit date: | 2007-08-22 | | Release date: | 2008-09-02 | | Last modified: | 2013-01-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008
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2VYZ
 | | Mutant Ala55Phe of Cerebratulus lacteus mini-hemoglobin | | Descriptor: | ACETATE ION, GLYCEROL, NEURAL HEMOGLOBIN, ... | | Authors: | Salter, M.D, Nienhaus, K, Nienhaus, G.U, Dewilde, S, Moens, L, Pesce, A, Nardini, M, Bolognesi, M, Olson, J.S. | | Deposit date: | 2008-07-29 | | Release date: | 2008-10-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Apolar Channel in Cerebratulus Lacteus Hemoglobin is the Route for O2 Entry and Exit.
J.Biol.Chem., 283, 2008
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2VYY
 | | Mutant Ala55Trp of Cerebratuls lacteus mini-hemoglobin | | Descriptor: | GLYCEROL, NEURAL HEMOGLOBIN, OXYGEN MOLECULE, ... | | Authors: | Salter, M.D, Nienhaus, K, Nienhaus, G.U, Dewilde, S, Moens, L, Pesce, A, Nardini, M, Bolognesi, M, Olson, J.S. | | Deposit date: | 2008-07-29 | | Release date: | 2008-10-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Apolar Channel in Cerebratulus Lacteus Hemoglobin is the Route for O2 Entry and Exit.
J.Biol.Chem., 283, 2008
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2QSS
 | | Bovine hemoglobin at pH 6.3 | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Aranda IV, R, Richards, M.P, Phillips Jr, G.N. | | Deposit date: | 2007-07-31 | | Release date: | 2008-09-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008
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2OIF
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4HRR
 | | Scapharca tetrameric hemoglobin, CO-state | | Descriptor: | CARBON MONOXIDE, Globin-2 A chain, Hemoglobin B chain, ... | | Authors: | Royer, W.E. | | Deposit date: | 2012-10-28 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Tertiary and Quaternary Allostery in Tetrameric Hemoglobin from Scapharca inaequivalvis.
Biochemistry, 52, 2013
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2VHB
 | | AZIDE ADDUCT OF THE BACTERIAL HEMOGLOBIN FROM VITREOSCILLA STERCORARIA | | Descriptor: | AZIDE ION, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Tarricone, C, Galizzi, A, Coda, A, Ascenzi, P, Bolognesi, M. | | Deposit date: | 1997-02-19 | | Release date: | 1998-02-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Unusual structure of the oxygen-binding site in the dimeric bacterial hemoglobin from Vitreoscilla sp.
Structure, 5, 1997
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4HRT
 | | Scapharca tetrameric hemoglobin, unliganded | | Descriptor: | Globin-2 A chain, Hemoglobin B chain, PHOSPHATE ION, ... | | Authors: | Royer, W.E. | | Deposit date: | 2012-10-28 | | Release date: | 2012-12-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Tertiary and Quaternary Allostery in Tetrameric Hemoglobin from Scapharca inaequivalvis.
Biochemistry, 52, 2013
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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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2BMM
 | | X-ray structure of a novel thermostable hemoglobin from the actinobacterium Thermobifida fusca | | Descriptor: | ACETATE ION, PROTOPORPHYRIN IX CONTAINING FE, THERMOSTABLE HEMOGLOBIN FROM THERMOBIFIDA FUSCA | | Authors: | Ilari, A, Franceschini, S, Bonamore, A, Boffi, A. | | Deposit date: | 2005-03-15 | | Release date: | 2005-07-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | A Novel Thermostable Hemoglobin from the Actinobacterium Thermobifida Fusca.
FEBS J., 272, 2005
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3D1K
 | | R/T intermediate quaternary structure of an antarctic fish hemoglobin in an alpha(CO)-beta(pentacoordinate) state | | Descriptor: | ACETYL GROUP, CARBON MONOXIDE, Hemoglobin subunit alpha-1, ... | | Authors: | Vitagliano, L, Vergara, A, Bonomi, G, Merlino, A, Mazzarella, L. | | Deposit date: | 2008-05-06 | | Release date: | 2008-08-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Spectroscopic and crystallographic characterization of a tetrameric hemoglobin oxidation reveals structural features of the functional intermediate relaxed/tense state.
J.Am.Chem.Soc., 130, 2008
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1CBM
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1AJ9
 | | R-STATE HUMAN CARBONMONOXYHEMOGLOBIN ALPHA-A53S | | Descriptor: | CARBON MONOXIDE, HEMOGLOBIN (ALPHA CHAIN), HEMOGLOBIN (BETA CHAIN), ... | | Authors: | Vasquez, G.B, Ji, X, Fronticelli, C, Gilliland, G.L. | | Deposit date: | 1997-05-16 | | Release date: | 1998-05-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Human carboxyhemoglobin at 2.2 A resolution: structure and solvent comparisons of R-state, R2-state and T-state hemoglobins.
Acta Crystallogr.,Sect.D, 54, 1998
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3GKV
 | | X-ray structure of an intermediate along the oxidation pathway of Trematomus bernacchii hemoglobin | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Merlino, A, Vitagliano, L, Sica, F, Vergara, A, Mazzarella, L. | | Deposit date: | 2009-03-11 | | Release date: | 2009-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Combined crystallographic and spectroscopic analysis of Trematomus bernacchii hemoglobin highlights analogies and differences in the peculiar oxidation pathway of Antarctic fish hemoglobins
Biopolymers, 91, 2009
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