7VW4
 
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7UVB
 | | CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT021601 | | Descriptor: | 2-hydroxy-6-({(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl}methoxy)benzaldehyde, FORMYL GROUP, Hemoglobin subunit alpha, ... | | Authors: | Partridge, J.R, Kaya, E, Xu, Q, Li, Z, Strutt, S.C, Cathers, B.E. | | Deposit date: | 2022-04-29 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | GBT021601 improves red blood cell health and the pathophysiology of sickle cell disease in a murine model.
Br.J.Haematol., 202, 2023
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5EYJ
 | | Crystal structure of murine neuroglobin mutant V101F at 240 MPa pressure | | Descriptor: | Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Colloc'h, N, Girard, E, Vallone, B, Prange, T. | | Deposit date: | 2015-11-25 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Determinants of neuroglobin plasticity highlighted by joint coarse-grained simulations and high pressure crystallography.
Sci Rep, 7, 2017
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5EYS
 | | Crystal structure of murine neuroglobin mutant F106W at ambient pressure | | Descriptor: | Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Colloc'h, N, Girard, E, Vallone, B, Prange, T. | | Deposit date: | 2015-11-25 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Determinants of neuroglobin plasticity highlighted by joint coarse-grained simulations and high pressure crystallography.
Sci Rep, 7, 2017
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5F0B
 | | Crystal structure of murine neuroglobin mutant F106W at 280 MPa pressure | | Descriptor: | Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Colloc'h, N, Girard, E, Vallone, B, Prange, T. | | Deposit date: | 2015-11-27 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.146 Å) | | Cite: | Determinants of neuroglobin plasticity highlighted by joint coarse-grained simulations and high pressure crystallography.
Sci Rep, 7, 2017
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5F2A
 | | Crystal structure of murine neuroglobin mutant F106W at 310 MPa pressure | | Descriptor: | Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Colloc'h, N, Girard, E, Vallone, B, Prange, T. | | Deposit date: | 2015-12-01 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Determinants of neuroglobin plasticity highlighted by joint coarse-grained simulations and high pressure crystallography.
Sci Rep, 7, 2017
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6ONK
 | | Dehaloperoxidase B in complex with substrate 4-Cl-cresol | | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-2-methylphenol, Dehaloperoxidase B, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | | Deposit date: | 2019-04-22 | | Release date: | 2019-09-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
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6ONR
 | | Dehaloperoxidase B in complex with substrate 4-methyl-cresol | | Descriptor: | 1,2-ETHANEDIOL, 2,4-dimethylphenol, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | | Deposit date: | 2019-04-22 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
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6OO1
 | | Dehaloperoxidase B in complex with substrate o-cresol | | Descriptor: | 1,2-ETHANEDIOL, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | | Deposit date: | 2019-04-22 | | Release date: | 2020-07-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
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6OO6
 | | Dehaloperoxidase B in complex with substrate p-cresol | | Descriptor: | 1,2-ETHANEDIOL, Dehaloperoxidase B, P-CRESOL, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | | Deposit date: | 2019-04-22 | | Release date: | 2019-09-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
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6ONG
 | | Dehaloperoxidate B in complex with substrate 4-F-cresol | | Descriptor: | 1,2-ETHANEDIOL, 4-fluoro-2-methylphenol, Dehaloperoxidase B, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T, McGuire, A. | | Deposit date: | 2019-04-22 | | Release date: | 2019-09-11 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
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6ONX
 | | Dehaloperoxidase B in complex with substrate 4-Br-cresol | | Descriptor: | 1,2-ETHANEDIOL, 4-bromo-2-methylphenol, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | | Deposit date: | 2019-04-22 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
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6OTW
 | | Crystallographic Structure of (HbII-HbIII)-O2 from Lucina pectinata at pH 5.0 | | Descriptor: | Hemoglobin II, Hemoglobin III, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Marchany-Rivera, D, Smith, C.A, Rodriguez-Perez, J.D, Lopez-Garriga, J. | | Deposit date: | 2019-05-03 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.447 Å) | | Cite: | Lucina pectinata oxyhemoglobin (II-III) heterodimer pH susceptibility.
J.Inorg.Biochem., 207, 2020
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6OTY
 | | Crystallographic Structure of (HbII-HbIII)-O2 from Lucina pectinata at pH 4.0 | | Descriptor: | Hemoglobin II, Hemoglobin III, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Marchany-Rivera, D, Smith, C.A, Rodriguez-Perez, J.D, Lopez-Garriga, J. | | Deposit date: | 2019-05-03 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.598 Å) | | Cite: | Lucina pectinata oxyhemoglobin (II-III) heterodimer pH susceptibility.
J.Inorg.Biochem., 207, 2020
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6ONZ
 | | Dehaloperoxidase B in complex with substtrate 4-nitro-cresol | | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-4-nitrophenol, Dehaloperoxidase B, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | | Deposit date: | 2019-04-22 | | Release date: | 2019-09-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
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6OTX
 | | Crystallographic Structure of (HbII-HbIII)-O2 from Lucina pectinata at pH 7.0 | | Descriptor: | Hemoglobin II, Hemoglobin III, OXYGEN MOLECULE, ... | | Authors: | Marchany-Rivera, D, Smith, C.A, Rodriguez-Perez, J.D, Lopez-Garriga, J. | | Deposit date: | 2019-05-03 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.539 Å) | | Cite: | Lucina pectinata oxyhemoglobin (II-III) heterodimer pH susceptibility.
J.Inorg.Biochem., 207, 2020
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7VLE
 | | Oxy-deoxy intermediate of V2 hemoglobin at 55% oxygen saturation | | Descriptor: | Extracellular A1 globin, Extracellular A2 globin, Extracellular B1 globin, ... | | Authors: | Numoto, N, Onoda, S, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. | | Deposit date: | 2021-10-02 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of oxygen dissociation intermediates of 400 kDa V2 hemoglobin provide coarse snapshots of the protein allostery.
Biophys Physicobio., 19, 2022
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7VLD
 | | Oxy-deoxy intermediate of V2 hemoglobin at 69% oxygen saturation | | Descriptor: | CALCIUM ION, Extracellular A1 globin, Extracellular A2 globin, ... | | Authors: | Numoto, N, Onoda, S, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. | | Deposit date: | 2021-10-02 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of oxygen dissociation intermediates of 400 kDa V2 hemoglobin provide coarse snapshots of the protein allostery.
Biophys Physicobio., 19, 2022
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7VLF
 | | Oxy-deoxy intermediate of V2 hemoglobin at 26% oxygen saturation | | Descriptor: | CALCIUM ION, Extracellular A1 globin, Extracellular A2 globin, ... | | Authors: | Numoto, N, Onoda, S, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. | | Deposit date: | 2021-10-02 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of oxygen dissociation intermediates of 400 kDa V2 hemoglobin provide coarse snapshots of the protein allostery.
Biophys Physicobio., 19, 2022
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7VLC
 | | Oxy-deoxy intermediate of V2 hemoglobin at 78% oxygen saturation | | Descriptor: | CALCIUM ION, Extracellular A1 globin, Extracellular A2 globin, ... | | Authors: | Numoto, N, Onoda, S, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N. | | Deposit date: | 2021-10-02 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of oxygen dissociation intermediates of 400 kDa V2 hemoglobin provide coarse snapshots of the protein allostery.
Biophys Physicobio., 19, 2022
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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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5EOH
 | | Crystal structure of murine neuroglobin at 270 MPa pressure | | Descriptor: | Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Colloc'h, N, Girard, E, Vallone, B, Prange, T. | | Deposit date: | 2015-11-10 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Determinants of neuroglobin plasticity highlighted by joint coarse-grained simulations and high pressure crystallography.
Sci Rep, 7, 2017
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5EET
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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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5E29
 | | Crystal Structure of Deoxygenated Hemoglobin in Complex with an Allosteric Effector and Nitric Oxide | | Descriptor: | 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, ... | | Authors: | Safo, M.K, Deshpande, T.M. | | Deposit date: | 2015-09-30 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 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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