7JY3
 
 | | Structure of HbA with compound 23 (PF-07059013) | | 分子名称: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one, Hemoglobin subunit alpha, ... | | 著者 | Jasti, J. | | 登録日 | 2020-08-28 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
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7JXZ
 | | Structure of HbA with compound (S)-4 | | 分子名称: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, CARBON MONOXIDE, ... | | 著者 | Jasti, J. | | 登録日 | 2020-08-28 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
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7JY0
 | | Structure of HbA with compound 9 | | 分子名称: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide, CARBON MONOXIDE, ... | | 著者 | Jasti, J. | | 登録日 | 2020-08-28 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
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7JY1
 | | Structure of HbA with compound 19 | | 分子名称: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | 著者 | Jasti, J. | | 登録日 | 2020-08-28 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
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7KCU
 | | Joint neutron/X-ray structure of Oxyferrous Dehaloperoxidase B | | 分子名称: | Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Carey, L.M, Ghiladi, R.A, Meilleur, F, Myles, D. | | 登録日 | 2020-10-07 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-10-25 | | 実験手法 | NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION | | 主引用文献 | Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Iucrj, 9, 2022
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7K4M
 | | Crystal structure of MetAP2 Modified Hemoglobin S | | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Musayev, F.N, Safo, M.K, Light, D.R. | | 登録日 | 2020-09-15 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | MetAP2 inhibition modifies hemoglobin S to delay polymerization and improves blood flow in sickle cell disease.
Blood Adv, 5, 2021
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7JOR
 | | Neutron structure of ferric Dehaloperoxidase B | | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Carey, L.M, Ghiladi, R.A, Meilleur, F, Myles, D.A.A. | | 登録日 | 2020-08-07 | | 公開日 | 2021-09-08 | | 最終更新日 | 2024-04-03 | | 実験手法 | NEUTRON DIFFRACTION (2.05 Å) | | 主引用文献 | Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Iucrj, 9, 2022
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7KYR
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7L3Y
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7L3U
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7KFM
 | | Room temperature oxyferrous Dehaloperoxidase B | | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, Dehaloperoxidase B, OXYGEN MOLECULE, ... | | 著者 | Carey, L.M, Ghiladi, R.A. | | 登録日 | 2020-10-14 | | 公開日 | 2021-10-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Iucrj, 9, 2022
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7M1I
 | | Crystal structure of dehaloperoxidase B in complex with 2,6-dichlorophenol | | 分子名称: | 2,6-dichlorophenol, Dehaloperoxidase B, GLYCEROL, ... | | 著者 | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | | 登録日 | 2021-03-13 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Bridging the functional gap between reactivity and inhibition in dehaloperoxidase B from Amphitrite ornata: Mechanistic and structural studies with 2,4- and 2,6-dihalophenols.
J.Inorg.Biochem., 236, 2022
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7LZO
 | | DHP B in complex with 2,4-Dibromophenol substrate | | 分子名称: | 2,4-bis(bromanyl)phenol, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Carey, L.M, Ghiladi, R.A. | | 登録日 | 2021-03-10 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Mechanistic and Structural Studies of 2,4-dihalophenol: Bridging the Functional Gap between Reactivity and Inhibition in Dehaloperoxidase
To Be Published
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7LZN
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7LZK
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7M0F
 | | DHP B in complex with 4-bromophenol ligand | | 分子名称: | 4-BROMOPHENOL, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Carey, L.M, Ghiladi, R.A. | | 登録日 | 2021-03-10 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Mechanistic and Structural Studies of 2,4-dihalophenol: Bridging the Functional Gap between Reactivity and Inhibition in Dehaloperoxidase
To Be Published
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7M0H
 | | DHP B in complex with 4-chlorophenol ligand | | 分子名称: | 4-chlorophenol, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Carey, L.M, Ghiladi, R.A. | | 登録日 | 2021-03-10 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Mechanistic and Structural Studies of 2,4-dihalophenol: Bridging the Functional Gap between Reactivity and Inhibition in Dehaloperoxidase
To Be Published
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7M1J
 | | Crystal structure of dehaloperoxidase B in complex with 2,6-dibromophenol | | 分子名称: | 2,6-bis(bromanyl)phenol, Dehaloperoxidase B, GLYCEROL, ... | | 著者 | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | | 登録日 | 2021-03-13 | | 公開日 | 2022-08-31 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.554 Å) | | 主引用文献 | Bridging the functional gap between reactivity and inhibition in dehaloperoxidase B from Amphitrite ornata: Mechanistic and structural studies with 2,4- and 2,6-dihalophenols.
J.Inorg.Biochem., 236, 2022
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7M1K
 | | Crystal structure of dehaloperoxidase B in complex with 2,6-difluorophenol | | 分子名称: | 2,6-DIFLUOROPHENOL, Dehaloperoxidase B, GLYCEROL, ... | | 著者 | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | | 登録日 | 2021-03-13 | | 公開日 | 2022-08-31 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.795 Å) | | 主引用文献 | Bridging the functional gap between reactivity and inhibition in dehaloperoxidase B from Amphitrite ornata: Mechanistic and structural studies with 2,4- and 2,6-dihalophenols.
J.Inorg.Biochem., 236, 2022
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4AVD
 | | C.lacteus nerve Hb in complex with CO | | 分子名称: | ACETATE ION, CARBON MONOXIDE, GLYCEROL, ... | | 著者 | Germani, F, Pesce, A, Venturini, A, Moens, L, Bolognesi, M, Dewilde, S, Nardini, M. | | 登録日 | 2012-05-25 | | 公開日 | 2013-04-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | High Resolution Crystal Structures of the Cerebratulus Lacteus Mini-Hb in the Unligated and Carbomonoxy States.
Int.J.Mol.Sci., 13, 2012
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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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5E6E
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5E83
 | | CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT440, CO-CRYSTALLIZATION EXPERIMENT | | 分子名称: | 2-methyl-3-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol, CARBON MONOXIDE, GLYCEROL, ... | | 著者 | Patskovska, L, Patskovsky, Y, Bonanno, J.B, Almo, S.C. | | 登録日 | 2015-10-13 | | 公開日 | 2016-07-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | GBT440 increases haemoglobin oxygen affinity, reduces sickling and prolongs RBC half-life in a murine model of sickle cell disease.
Br.J.Haematol., 175, 2016
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4AVE
 | | C.lacteus nerve Hb in the deoxy form | | 分子名称: | ACETATE ION, GLYCEROL, NEURAL HEMOGLOBIN, ... | | 著者 | Germani, F, Pesce, A, Venturini, A, Moens, L, Bolognesi, M, Dewilde, S, Nardini, M. | | 登録日 | 2012-05-25 | | 公開日 | 2013-04-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | High Resolution Crystal Structures of the Cerebratulus Lacteus Mini-Hb in the Unligated and Carbomonoxy States.
Int.J.Mol.Sci., 13, 2012
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4B3W
 | | Crystal structure of human cytoglobin H(E7)Q mutant | | 分子名称: | ACETATE ION, CYANIDE ION, CYTOGLOBIN, ... | | 著者 | Gabba, M, Abbruzzetti, S, Spyrakis, F, Forti, F, Bruno, S, Mozzarelli, A, Luque, F.J, Viappiani, C, Cozzini, P, Nardini, M, Germani, F, Bolognesi, M, Moens, L, Dewilde, S. | | 登録日 | 2012-07-26 | | 公開日 | 2013-01-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Co Rebinding Kinetics and Molecular Dynamics Simulations Highlight Dynamic Regulation of Internal Cavities in Human Cytoglobin.
Plos One, 8, 2013
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