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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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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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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6HK2
 | | Crystal structure of ferric R-state human methemoglobin bound to maleimide-deferoxamine bifunctional chelator (DFO) | | Descriptor: | 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-~{N}-methyl-propanamide, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Cerutti, G, Savino, C, Montemiglio, L.C, Boffi, A. | | Deposit date: | 2018-09-05 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Biodistribution PET/CT Study of Hemoglobin-DFO-89Zr Complex in Healthy and Lung Tumor-Bearing Mice.
Int J Mol Sci, 21, 2020
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6HBW
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6HBI
 | | SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72V, DEOXY FORM | | Descriptor: | 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 (1.8 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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6I3T
 | | Crystal structure of murine neuroglobin bound to CO at 40 K. | | Descriptor: | ACETATE ION, CARBON MONOXIDE, FORMIC ACID, ... | | Authors: | Savino, C, Montemiglio, L.C, Ardiccioni, C, Exertier, C. | | Deposit date: | 2018-11-07 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
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6I40
 | | Crystal structure of murine neuroglobin bound to CO at 15K under illumination using optical fiber | | Descriptor: | ACETATE ION, CARBON MONOXIDE, FORMIC ACID, ... | | Authors: | Savino, C, Montemiglio, L.C, Ardiccioni, C, Exertier, C, Vallone, B. | | Deposit date: | 2018-11-08 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
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7MNH
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6I7F
 | | Dehaloperoxidase B from Amphitrite ornata - complex with 2,4-dichlorophenol | | Descriptor: | 2,4-dichlorophenol, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Moreno-Chicano, T, Ebrahim, A.E, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Duyvesteyn, H. | | Deposit date: | 2018-11-16 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography.
Iucrj, 6, 2019
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6II1
 | | Crystal Structure Analysis of CO form hemoglobin from Bos taurus | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Kihira, K, Morita, Y, Yamada, T, Kureishi, M, Komatsu, T. | | Deposit date: | 2018-10-03 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Quaternary Structure Analysis of a Hemoglobin Core in Hemoglobin-Albumin Cluster.
J Phys Chem B, 122, 2018
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6I6G
 | | Dehaloperoxidase B from Amphitrite ornata - complex with 5-bromoindole | | Descriptor: | 5-bromanyl-1~{H}-indole, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Moreno-Chicano, T, Ebrahim, A.E, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Duyvesteyn, H. | | Deposit date: | 2018-11-15 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography.
Iucrj, 6, 2019
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6BB5
 | | Human Oxy-Hemoglobin | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ... | | Authors: | Gumpper, R.H, Terrell, J.R, Luo, M. | | Deposit date: | 2017-10-16 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Hemoglobin crystals immersed in liquid oxygen reveal diffusion channels.
Biochem. Biophys. Res. Commun., 495, 2018
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8DOG
 | | Dehaloperoxidase B in complex with Bisphenol E | | Descriptor: | 4-[1-(4-hydroxyphenyl)ethyl]phenol, Dehaloperoxidase B, GLYCEROL, ... | | Authors: | de Serrano, V.S, Yun, D, Ghiladi, R. | | Deposit date: | 2022-07-13 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Oxidation of bisphenol A (BPA) and related compounds by the multifunctional catalytic globin dehaloperoxidase.
J.Inorg.Biochem., 238, 2023
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8DOI
 | | Dehaloperoxidase B in complex with 2,2'-Biphenol | | Descriptor: | 2-(2-hydroxyphenyl)phenol, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | de Serrano, V.S, Yun, D, Ghiladi, R. | | Deposit date: | 2022-07-13 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Oxidation of bisphenol A (BPA) and related compounds by the multifunctional catalytic globin dehaloperoxidase.
J.Inorg.Biochem., 238, 2023
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8DOJ
 | | Dehaloperoxidase B in complex with 3,3'-Biphenol | | Descriptor: | (1P)-[1,1'-biphenyl]-3,3'-diol, Dehaloperoxidase B, GLYCEROL, ... | | Authors: | de Serrano, V.S, Yun, D, Ghiladi, R. | | Deposit date: | 2022-07-13 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Oxidation of bisphenol A (BPA) and related compounds by the multifunctional catalytic globin dehaloperoxidase.
J.Inorg.Biochem., 238, 2023
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8DOH
 | | Dehaloperoxidase B in complex with Bisphenol F | | Descriptor: | 4,4'-methylenediphenol, Dehaloperoxidase B, GLYCEROL, ... | | Authors: | de Serrano, V.S, Yun, D, Ghiladi, R. | | Deposit date: | 2022-07-13 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Oxidation of bisphenol A (BPA) and related compounds by the multifunctional catalytic globin dehaloperoxidase.
J.Inorg.Biochem., 238, 2023
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6BMG
 | | Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy) | | Descriptor: | ACETATE ION, CADMIUM ION, Myoglobin, ... | | Authors: | Samuel, P.P, Miller, M.D, Xu, W, Alvarado, S, Phillips Jr, G.N, Olson, J.S. | | Deposit date: | 2017-11-14 | | Release date: | 2017-11-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy)
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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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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8EGI
 | | X-ray structure of carbonmonoxy hemoglobin in complex with VZHE039-NO | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Donkor, A.K, Musayev, F.N, Safo, M.K. | | Deposit date: | 2022-09-12 | | Release date: | 2022-11-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design, Synthesis, and Investigation of Novel Nitric Oxide (NO)-Releasing Aromatic Aldehydes as Drug Candidates for the Treatment of Sickle Cell Disease.
Molecules, 27, 2022
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6BWP
 | | Crystal structure of Deoxy Hemoglobin in complex with beta Cys93 modifying agent, TD3 | | Descriptor: | 1H-1,2,3-triazole-5-thiol, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 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 (1.7 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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6CH6
 | | Dehaloperoxidase B in complex with substrate 2,4-dimethoxyphenol | | Descriptor: | 2,4-dimethoxyphenol, Dehaloperoxidase B, GLYCEROL, ... | | Authors: | de Serrano, V.S, Carey, L.M, Ghiladi, R.A. | | Deposit date: | 2018-02-22 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Peroxidase versus Peroxygenase Activity: Substrate Substituent Effects as Modulators of Enzyme Function in the Multifunctional Catalytic Globin Dehaloperoxidase.
Biochemistry, 57, 2018
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8EJN
 | | Structure of dehaloperoxidase A in complex with 2,4-dichlorophenol | | Descriptor: | 2,4-dichlorophenol, DIMETHYL SULFOXIDE, Dehaloperoxidase A, ... | | Authors: | Aktar, M.S, de Serrano, V.S, Franzen, S. | | Deposit date: | 2022-09-17 | | Release date: | 2023-08-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.481 Å) | | Cite: | Comparative study of the binding and activation of 2,4-dichlorophenol by dehaloperoxidase A and B.
J.Inorg.Biochem., 247, 2023
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8FB0
 | | H64Q Myoglobin in complex with acetamide | | Descriptor: | ACETAMIDE, GLYCEROL, Myoglobin, ... | | Authors: | Powell, S.M, Thomas, L.M, Richter-Addo, G.B. | | Deposit date: | 2022-11-29 | | Release date: | 2023-06-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Interactions of metronidazole and chloramphenicol with myoglobin: Crystal structure of a Mb-acetamide product.
J Porphyr Phthalocyanines, 27, 2023
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