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7LZO
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BU of 7lzo by Molmil
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
7LZN
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BU of 7lzn by Molmil
DHP B in complex with 2,4-Dichlorophenol substrate
分子名称: 2,4-dichlorophenol, Dehaloperoxidase B, GLYCEROL, ...
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2023-10-18
実験手法X-RAY DIFFRACTION (1.95 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
7LZK
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BU of 7lzk by Molmil
DHP B in complex with 2,4-Dichlorophenol substrate
分子名称: 2,4-dichlorophenol, Dehaloperoxidase B, GLYCEROL, ...
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2023-10-18
実験手法X-RAY DIFFRACTION (1.49 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
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)
分子名称: CHLORIDE ION, Myoglobin, PEROXIDE ION, ...
著者Petrik, I, Lu, Y.
登録日2020-12-18
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献An Engineered Glutamate in Biosynthetic Models of Heme-Copper Oxidases Drives Complete Product Selectivity by Tuning the Hydrogen-Bonding Network.
Biochemistry, 60, 2021
7L3U
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BU of 7l3u by Molmil
Crystal structure of I107E F33Y CuB myoglobin (I107E F33Y L29H F43H sperm whale myoglobin)
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Petrik, I, Lu, Y.
登録日2020-12-18
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献An Engineered Glutamate in Biosynthetic Models of Heme-Copper Oxidases Drives Complete Product Selectivity by Tuning the Hydrogen-Bonding Network.
Biochemistry, 60, 2021
7KYR
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BU of 7kyr by Molmil
Crystal structure of I107E CuB myoglobin (I107E L29H F43H sperm whale myoglobin)
分子名称: 1,2-ETHANEDIOL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Petrik, I, Lu, Y.
登録日2020-12-08
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献An Engineered Glutamate in Biosynthetic Models of Heme-Copper Oxidases Drives Complete Product Selectivity by Tuning the Hydrogen-Bonding Network.
Biochemistry, 60, 2021
7KFM
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BU of 7kfm by Molmil
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
7KCU
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BU of 7kcu by Molmil
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
7K4M
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BU of 7k4m by Molmil
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
7JY3
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BU of 7jy3 by Molmil
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
7JY1
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BU of 7jy1 by Molmil
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
7JY0
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BU of 7jy0 by Molmil
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
7JXZ
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BU of 7jxz by Molmil
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
7JOR
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BU of 7jor by Molmil
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
7JJQ
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BU of 7jjq by Molmil
Human Hemoglobin in Complex with Nitrosoamphetamine
分子名称: (2R)-N-hydroxy-1-phenylpropan-2-amine, GLYCEROL, Hemoglobin subunit alpha, ...
著者Powell, S.M, Thomas, L.M, Richter-Addo, G.B.
登録日2020-07-27
公開日2020-11-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The nitrosoamphetamine metabolite is accommodated in the active site of human hemoglobin: Spectroscopy and crystal structure.
J.Inorg.Biochem., 213, 2020
7HBI
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BU of 7hbi by Molmil
SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72V, CO-LIGANDED FORM
分子名称: CARBON MONOXIDE, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
著者Royer Junior, W.E.
登録日1998-06-25
公開日1998-11-11
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity.
J.Mol.Biol., 284, 1998
7EHX
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BU of 7ehx by Molmil
X-ray crystal strcture of F46C/L49C sperm whale myoglobin with an intramolecular disulfide bond
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Lin, Y.W.
登録日2021-03-30
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystal strcture of F46C/L49C sperm whale myoglobin with an intramolecular disulfide bond
To Be Published
7E99
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BU of 7e99 by Molmil
Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 13% oxygen saturation
分子名称: Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, Extracellular giant hemoglobin major globin subunit B2, ...
著者Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N.
登録日2021-03-03
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state.
Iucrj, 8, 2021
7E98
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BU of 7e98 by Molmil
Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 21% oxygen saturation
分子名称: Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, Extracellular giant hemoglobin major globin subunit B2, ...
著者Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N.
登録日2021-03-03
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state.
Iucrj, 8, 2021
7E97
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BU of 7e97 by Molmil
Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 58% oxygen saturation
分子名称: Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, Extracellular giant hemoglobin major globin subunit B2, ...
著者Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N.
登録日2021-03-03
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state.
Iucrj, 8, 2021
7E96
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BU of 7e96 by Molmil
Oxy-deoxy intermediate of 400 kDa giant hemoglobin at 69% oxygen saturation
分子名称: CALCIUM ION, Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, ...
著者Numoto, N, Kawano, Y, Okumura, H, Baba, S, Fukumori, Y, Miki, K, Ito, N.
登録日2021-03-03
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Coarse snapshots of oxygen-dissociation intermediates of a giant hemoglobin elucidated by determining the oxygen saturation in individual subunits in the crystalline state.
Iucrj, 8, 2021
7DY4
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BU of 7dy4 by Molmil
High resolution crystal structure of hemoglobin M Boston.
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Ohki, M, Park, S.-Y.
登録日2021-01-20
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献High resolution crystal structure of hemoglobin M Boston.
To Be Published
7DY3
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BU of 7dy3 by Molmil
High resolution crystal structure of hemoglobin M Iwate.
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Ohki, M, Park, S.-Y.
登録日2021-01-20
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High resolution crystal structure of hemoglobin M Iwate.
To Be Published
7DIH
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BU of 7dih by Molmil
Crystal structure of Thermoglobin Y29F mutant in complex with imidazole
分子名称: IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
著者Muraki, N, Aono, S.
登録日2020-11-19
公開日2021-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Characterization of Y29F Mutant of Thermoglobin from a Hyperthermophilic Bacterium Aquifex aeolicus
Chem Lett., 2021
7DGO
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BU of 7dgo by Molmil
The Zn-bound dimeric structure of K79H/G80A/H81A myoglobin
分子名称: Myoglobin, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Nagao, S, Idomoto, A, Shibata, N, Higuchi, Y, Hirota, S.
登録日2020-11-12
公開日2021-02-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rational design of metal-binding sites in domain-swapped myoglobin dimers.
J.Inorg.Biochem., 217, 2021

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件を2024-06-12に公開中

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