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7M1J
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BU of 7m1j by Molmil
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
7M1I
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BU of 7m1i by Molmil
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
7MNH
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BU of 7mnh by Molmil
V59W mutant of Dehaloperoxidase A from Amphitrite ornata treated with Fluoride
Descriptor: Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Shay, M.R, Thompson, M.K, Franzen, S.
Deposit date:2021-04-30
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:A new inhibition mechanism in the multifunctional catalytic hemoglobin dehaloperoxidase as revealed by the DHP A(V59W) mutant: A spectroscopic and crystallographic study
J Porphyr Phthalocyanines, 25, 2021
7KYR
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BU of 7kyr by Molmil
Crystal structure of I107E CuB myoglobin (I107E L29H F43H sperm whale myoglobin)
Descriptor: 1,2-ETHANEDIOL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Petrik, I, Lu, Y.
Deposit date:2020-12-08
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:An Engineered Glutamate in Biosynthetic Models of Heme-Copper Oxidases Drives Complete Product Selectivity by Tuning the Hydrogen-Bonding Network.
Biochemistry, 60, 2021
7L3Y
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BU of 7l3y by Molmil
Crystal structure of oxy-I107E CuB myoglobin (I107E L29H F43H sperm whale myoglobin; partial occupancy)
Descriptor: CHLORIDE ION, Myoglobin, PEROXIDE ION, ...
Authors:Petrik, I, Lu, Y.
Deposit date:2020-12-18
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:An Engineered Glutamate in Biosynthetic Models of Heme-Copper Oxidases Drives Complete Product Selectivity by Tuning the Hydrogen-Bonding Network.
Biochemistry, 60, 2021
6CO5
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BU of 6co5 by Molmil
Dehaloperoxidase B in complex with 6-Br-ortho-guaiacol
Descriptor: 2-bromo-6-methoxyphenol, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Carey, L.M, Ghiladi, R.A.
Deposit date:2018-03-12
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.686 Å)
Cite:Peroxidase versus Peroxygenase Activity: Substrate Substituent Effects as Modulators of Enzyme Function in the Multifunctional Catalytic Globin Dehaloperoxidase.
Biochemistry, 57, 2018
6CF0
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BU of 6cf0 by Molmil
Sperm Whale Myoglobin H64V Mutant with Nitrite
Descriptor: GLYCEROL, Myoglobin, NITRITE ION, ...
Authors:Powell, S.M, Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2018-02-13
Release date:2018-05-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
6CH5
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BU of 6ch5 by Molmil
Dehaloperoxidase B in complex with substrate 4-Nitroguaiacol
Descriptor: 2-methoxy-4-nitrophenol, DI(HYDROXYETHYL)ETHER, Dehaloperoxidase B, ...
Authors:de Serrano, V.S, Carey, L.M, Ghiladi, R.A.
Deposit date:2018-02-21
Release date:2019-01-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Peroxidase versus Peroxygenase Activity: Substrate Substituent Effects as Modulators of Enzyme Function in the Multifunctional Catalytic Globin Dehaloperoxidase.
Biochemistry, 57, 2018
6CKE
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BU of 6cke by Molmil
Dehaloperoxidase B in complex with 4-Br-guaiacol
Descriptor: 4-bromo-2-methoxyphenol, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Carey, L.M, Ghiladi, R.A.
Deposit date:2018-02-27
Release date:2019-03-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Peroxidase versus Peroxygenase Activity: Substrate Substituent Effects as Modulators of Enzyme Function in the Multifunctional Catalytic Globin Dehaloperoxidase.
Biochemistry, 57, 2018
6D45
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BU of 6d45 by Molmil
L89S Mutant of FeBMb Sperm Whale Myoglobin
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bhagi-Damodaran, A, Mirts, E.N, Sandoval, B, Lu, Y.
Deposit date:2018-04-17
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.779 Å)
Cite:Heme redox potentials hold the key to reactivity differences between nitric oxide reductase and heme-copper oxidase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BWU
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BU of 6bwu by Molmil
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
6CH6
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BU of 6ch6 by Molmil
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
6CRE
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BU of 6cre by Molmil
Dehaloperoxidase B in complex with 5-Br-ortho-guaiacol
Descriptor: 5-bromo-2-methoxyphenol, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Carey, L.M, Ghiladi, R.A.
Deposit date:2018-03-17
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Peroxidase versus Peroxygenase Activity: Substrate Substituent Effects as Modulators of Enzyme Function in the Multifunctional Catalytic Globin Dehaloperoxidase.
Biochemistry, 57, 2018
6E02
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BU of 6e02 by Molmil
WT swMb-MeNO
Descriptor: Myoglobin, NITROSOMETHANE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Herrera, V.E.
Deposit date:2018-07-05
Release date:2019-07-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Biochemistry, 62, 2023
6E03
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BU of 6e03 by Molmil
sperm whale myoglobin nitrosoethane adduct
Descriptor: CHLORIDE ION, Myoglobin, NITROSOETHANE, ...
Authors:Herrera, V.E.
Deposit date:2018-07-05
Release date:2019-07-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Biochemistry, 62, 2023
6E04
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BU of 6e04 by Molmil
sperm whale myoglobin 1-nitrosopropane
Descriptor: 1-nitrosopropane, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Herrera, V.E.
Deposit date:2018-07-06
Release date:2019-07-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Biochemistry, 62, 2023
6BNR
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BU of 6bnr by Molmil
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
6VDT
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BU of 6vdt by Molmil
Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Deuteroporphyrin IX and Substrate 4-nitrophenol
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dehaloperoxidase B, ...
Authors:Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T.
Deposit date:2019-12-27
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.978 Å)
Cite:Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
To Be Published
6VD5
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BU of 6vd5 by Molmil
Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Mesoporphyrin IX and Substrate Trichlorophenol
Descriptor: 1,2-ETHANEDIOL, 2,4,6-trichlorophenol, Dehaloperoxidase B, ...
Authors:Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
Deposit date:2019-12-23
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
To Be Published
6VD4
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BU of 6vd4 by Molmil
Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Mesoporphyrin IX and Substrate 4-bromo-ortho-cresol
Descriptor: 1,2-ETHANEDIOL, 4-bromo-2-methylphenol, Dehaloperoxidase B, ...
Authors:Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
Deposit date:2019-12-23
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
To Be Published
6VDR
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BU of 6vdr by Molmil
Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Deuteroporphyrin IX and Substrate 4-bromophenol
Descriptor: 1,2-ETHANEDIOL, 4-BROMOPHENOL, Dehaloperoxidase B, ...
Authors:Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T.
Deposit date:2019-12-27
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
To Be Published
6VD3
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BU of 6vd3 by Molmil
Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Mesoporphyrin IX and Substrate 4-bromophenol
Descriptor: 1,2-ETHANEDIOL, 4-BROMOPHENOL, Dehaloperoxidase B, ...
Authors:Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
Deposit date:2019-12-23
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
To Be Published
6DI4
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BU of 6di4 by Molmil
Rational Modification of Vanillin Derivatives to Stereospecifically Destabilize Sickle Hemoglobin Polymer Formation
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Pagare, P.P, Musayev, F.N.
Deposit date:2018-05-22
Release date:2018-09-05
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational modification of vanillin derivatives to stereospecifically destabilize sickle hemoglobin polymer formation.
Acta Crystallogr D Struct Biol, 74, 2018
6VDS
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BU of 6vds by Molmil
Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Deuteroporphyrin IX and Substrate 4-bromo-ortho-cresol
Descriptor: 1,2-ETHANEDIOL, 4-bromo-2-methylphenol, Dehaloperoxidase B, ...
Authors:Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T.
Deposit date:2019-12-27
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
To Be Published
6VDW
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BU of 6vdw by Molmil
Crystal Structure of Dehaloperoxidase B in Complex with cofactor Manganese(III) Porphyrin and Substrate 4-nitrophenol
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dehaloperoxidase B, ...
Authors:Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T.
Deposit date:2019-12-27
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
To Be Published

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PDB entries from 2024-09-18

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