7LZK
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![BU of 7lzk by Molmil](/molmil-images/mine/7lzk) | DHP B in complex with 2,4-Dichlorophenol substrate | Descriptor: | 2,4-dichlorophenol, Dehaloperoxidase B, GLYCEROL, ... | Authors: | Carey, L.M, Ghiladi, R.A. | Deposit date: | 2021-03-10 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | 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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![BU of 7lzn by Molmil](/molmil-images/mine/7lzn) | DHP B in complex with 2,4-Dichlorophenol substrate | Descriptor: | 2,4-dichlorophenol, Dehaloperoxidase B, GLYCEROL, ... | Authors: | Carey, L.M, Ghiladi, R.A. | Deposit date: | 2021-03-10 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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
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![BU of 7m0h by Molmil](/molmil-images/mine/7m0h) | DHP B in complex with 4-chlorophenol ligand | Descriptor: | 4-chlorophenol, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Carey, L.M, Ghiladi, R.A. | Deposit date: | 2021-03-10 | Release date: | 2022-08-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | 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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7M0F
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![BU of 7m0f by Molmil](/molmil-images/mine/7m0f) | DHP B in complex with 4-bromophenol ligand | Descriptor: | 4-BROMOPHENOL, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Carey, L.M, Ghiladi, R.A. | Deposit date: | 2021-03-10 | Release date: | 2022-08-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | 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
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![BU of 7m1j by Molmil](/molmil-images/mine/7m1j) | Crystal structure of dehaloperoxidase B in complex with 2,6-dibromophenol | Descriptor: | 2,6-bis(bromanyl)phenol, Dehaloperoxidase B, GLYCEROL, ... | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | Deposit date: | 2021-03-13 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.554 Å) | Cite: | 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
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![BU of 7m1k by Molmil](/molmil-images/mine/7m1k) | Crystal structure of dehaloperoxidase B in complex with 2,6-difluorophenol | Descriptor: | 2,6-DIFLUOROPHENOL, Dehaloperoxidase B, GLYCEROL, ... | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | Deposit date: | 2021-03-13 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.795 Å) | Cite: | 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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7M1I
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![BU of 7m1i by Molmil](/molmil-images/mine/7m1i) | Crystal structure of dehaloperoxidase B in complex with 2,6-dichlorophenol | Descriptor: | 2,6-dichlorophenol, Dehaloperoxidase B, GLYCEROL, ... | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | Deposit date: | 2021-03-13 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | 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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7HBI
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![BU of 7hbi by Molmil](/molmil-images/mine/7hbi) | SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72V, CO-LIGANDED FORM | Descriptor: | CARBON MONOXIDE, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Royer Junior, W.E. | Deposit date: | 1998-06-25 | Release date: | 1998-11-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity. J.Mol.Biol., 284, 1998
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7JY3
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![BU of 7jy3 by Molmil](/molmil-images/mine/7jy3) | Structure of HbA with compound 23 (PF-07059013) | Descriptor: | 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, ... | Authors: | Jasti, J. | Deposit date: | 2020-08-28 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease. J.Med.Chem., 64, 2021
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7JJQ
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![BU of 7jjq by Molmil](/molmil-images/mine/7jjq) | Human Hemoglobin in Complex with Nitrosoamphetamine | Descriptor: | (2R)-N-hydroxy-1-phenylpropan-2-amine, GLYCEROL, Hemoglobin subunit alpha, ... | Authors: | Powell, S.M, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2020-07-27 | Release date: | 2020-11-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The nitrosoamphetamine metabolite is accommodated in the active site of human hemoglobin: Spectroscopy and crystal structure. J.Inorg.Biochem., 213, 2020
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7JY0
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![BU of 7jy0 by Molmil](/molmil-images/mine/7jy0) | Structure of HbA with compound 9 | Descriptor: | 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, ... | Authors: | Jasti, J. | Deposit date: | 2020-08-28 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease. J.Med.Chem., 64, 2021
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7JXZ
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![BU of 7jxz by Molmil](/molmil-images/mine/7jxz) | Structure of HbA with compound (S)-4 | Descriptor: | 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, ... | Authors: | Jasti, J. | Deposit date: | 2020-08-28 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease. J.Med.Chem., 64, 2021
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7MNH
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![BU of 7mnh by Molmil](/molmil-images/mine/7mnh) | |
7JY1
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![BU of 7jy1 by Molmil](/molmil-images/mine/7jy1) | Structure of HbA with compound 19 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Jasti, J. | Deposit date: | 2020-08-28 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease. J.Med.Chem., 64, 2021
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7KCU
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![BU of 7kcu by Molmil](/molmil-images/mine/7kcu) | Joint neutron/X-ray structure of Oxyferrous Dehaloperoxidase B | Descriptor: | Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Carey, L.M, Ghiladi, R.A, Meilleur, F, Myles, D. | Deposit date: | 2020-10-07 | Release date: | 2021-10-13 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION | Cite: | Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature. Iucrj, 9, 2022
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7K4M
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![BU of 7k4m by Molmil](/molmil-images/mine/7k4m) | Crystal structure of MetAP2 Modified Hemoglobin S | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Musayev, F.N, Safo, M.K, Light, D.R. | Deposit date: | 2020-09-15 | Release date: | 2021-10-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 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
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![BU of 7jor by Molmil](/molmil-images/mine/7jor) | Neutron structure of ferric Dehaloperoxidase B | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Carey, L.M, Ghiladi, R.A, Meilleur, F, Myles, D.A.A. | Deposit date: | 2020-08-07 | Release date: | 2021-09-08 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (2.05 Å) | Cite: | 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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![BU of 7kyr by Molmil](/molmil-images/mine/7kyr) | |
7L3Y
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![BU of 7l3y by Molmil](/molmil-images/mine/7l3y) | |
5HLX
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![BU of 5hlx by Molmil](/molmil-images/mine/5hlx) | |
5HLQ
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![BU of 5hlq by Molmil](/molmil-images/mine/5hlq) | X-ray crystal structure of met F43H/H64A sperm whale myoglobin | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yuan, H. | Deposit date: | 2016-01-15 | Release date: | 2016-05-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Regulating the nitrite reductase activity of myoglobin by redesigning the heme active center Nitric Oxide, 57, 2016
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5HY8
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![BU of 5hy8 by Molmil](/molmil-images/mine/5hy8) | Glycation restrains allosteric transition in hemoglobin: The molecular basis of oxidative stress under hyperglycemic conditions in diabetes | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ... | Authors: | Saraswathi, N.T, Pannu, N.S, Syakhovich, V.E, Saurabh, A, Bokut, S.B, Moras, D, Ruff, M. | Deposit date: | 2016-02-01 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Glycation restrains allosteric transition in hemoglobin: The molecular basis of oxidative stress under hyperglycemic conditions in diabetes To Be Published
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5HBI
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![BU of 5hbi by Molmil](/molmil-images/mine/5hbi) | SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72I, CO-LIGANDED FORM | Descriptor: | CARBON MONOXIDE, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Royer Junior, W.E. | Deposit date: | 1998-06-24 | Release date: | 1998-11-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity. J.Mol.Biol., 284, 1998
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5HAV
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![BU of 5hav by Molmil](/molmil-images/mine/5hav) | |
5HLU
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![BU of 5hlu by Molmil](/molmil-images/mine/5hlu) | |