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7JY3
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BU of 7jy3 by Molmil
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
7JXZ
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BU of 7jxz by Molmil
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
7JY0
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BU of 7jy0 by Molmil
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
7JY1
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BU of 7jy1 by Molmil
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
5WOG
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BU of 5wog by Molmil
Human Hemoglobin immersed in Liquid Oxygen for 1 minute
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gumpper, R.H, Terrell, J.R, Luo, M.
Deposit date:2017-08-02
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Hemoglobin crystals immersed in liquid oxygen reveal diffusion channels.
Biochem. Biophys. Res. Commun., 495, 2018
5WJK
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BU of 5wjk by Molmil
2.0-Angstrom In situ Mylar structure of sperm whale myoglobin (SWMb) at 293 K
Descriptor: CHLORIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Broecker, J, Ou, W.-L, Ernst, O.P.
Deposit date:2017-07-23
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-throughput in situ X-ray screening of and data collection from protein crystals at room temperature and under cryogenic conditions.
Nat Protoc, 13, 2018
5WOH
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BU of 5woh by Molmil
Human Hemoglobin Immersed in Liquid Oxygen for 20 seconds
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gumpper, R.H, Terrell, J.R, Luo, M.
Deposit date:2017-08-02
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Hemoglobin crystals immersed in liquid oxygen reveal diffusion channels.
Biochem. Biophys. Res. Commun., 495, 2018
5X2U
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BU of 5x2u by Molmil
Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin after Adding 80 mM phosphate pH 6.7.
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ohki, M, Park, S.-Y.
Deposit date:2017-02-02
Release date:2017-09-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Direct observation of conformational population shifts in crystalline human hemoglobin.
J. Biol. Chem., 292, 2017
5X2R
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BU of 5x2r by Molmil
Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin after Adding 10 mM phosphate pH 6.9.
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ohki, M, Park, S.-Y.
Deposit date:2017-02-02
Release date:2017-09-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Direct observation of conformational population shifts in crystalline human hemoglobin.
J. Biol. Chem., 292, 2017
5XKV
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BU of 5xkv by Molmil
structure of sperm whale myoglobin F138W
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yuan, H.
Deposit date:2017-05-09
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Rational design of artificial dye-decolorizing peroxidases using myoglobin by engineering Tyr/Trp in the heme center
Dalton Trans, 46, 2017
5XL0
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BU of 5xl0 by Molmil
met-aquo form of sperm whale myoglobin reconstituted with 7-PF, a heme possesseing CF3 group as side chain
Descriptor: Myoglobin, SULFATE ION, fluorinated heme
Authors:Kanai, Y, Harada, A, Shibata, T, Nishimura, R, Namiki, K, Watanabe, M, Nakamura, S, Yumoto, F, Senda, T, Suzuki, A, Neya, S, Yamamoto, Y.
Deposit date:2017-05-10
Release date:2017-08-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Characterization of Heme Orientational Disorder in a Myoglobin Reconstituted with a Trifluoromethyl-Group-Substituted Heme Cofactor
Biochemistry, 56, 2017
5X2T
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BU of 5x2t by Molmil
Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin after Adding 4 mM bezafibrate pH 7.2.
Descriptor: 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Ohki, M, Park, S.-Y.
Deposit date:2017-02-02
Release date:2017-09-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Direct observation of conformational population shifts in crystalline human hemoglobin.
J. Biol. Chem., 292, 2017
5X2S
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BU of 5x2s by Molmil
Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin after Adding 4 mM bezafibrate pH 6.5.
Descriptor: 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Ohki, M, Park, S.-Y.
Deposit date:2017-02-02
Release date:2017-09-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Direct observation of conformational population shifts in crystalline human hemoglobin.
J. Biol. Chem., 292, 2017
5XKW
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BU of 5xkw by Molmil
myoglobin mutant F43Y/F46Y
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yuan, H.
Deposit date:2017-05-09
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Rational design of artificial dye-decolorizing peroxidases using myoglobin by engineering Tyr/Trp in the heme center
Dalton Trans, 46, 2017
5YCH
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BU of 5ych by Molmil
Ancestral myoglobin aMbWb of Basilosaurus relative (monophyly)
Descriptor: Ancestral myoglobin aMbWb of Basilosaurus relative (monophyly), PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T.
Deposit date:2017-09-07
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.354 Å)
Cite:Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
5YCG
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BU of 5ycg by Molmil
Ancestral myoglobin aMbWp of Pakicetus relative
Descriptor: Ancestral myoglobin aMbWp of Pakicetus relative, PROTOPORPHYRIN IX CONTAINING FE
Authors:Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T.
Deposit date:2017-09-07
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
5YCI
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BU of 5yci by Molmil
Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly)
Descriptor: Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly), PROTOPORPHYRIN IX CONTAINING FE
Authors:Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T.
Deposit date:2017-09-07
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
5YCE
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BU of 5yce by Molmil
Sperm whale myoglobin swMb
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T.
Deposit date:2017-09-07
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.77 Å)
Cite:Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
5YL3
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BU of 5yl3 by Molmil
Crystal structure of horse heart myoglobin reconstituted with manganese porphycene in resting state at pH 8.5
Descriptor: Myoglobin, PORPHYCENE CONTAINING MN, SULFATE ION
Authors:Oohora, K, Meichin, H, Kihira, Y, Sugimoto, H, Shiro, Y, Hayashi, T.
Deposit date:2017-10-17
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Manganese(V) Porphycene Complex Responsible for Inert C-H Bond Hydroxylation in a Myoglobin Matrix.
J. Am. Chem. Soc., 139, 2017
5YCJ
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BU of 5ycj by Molmil
Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly) imidazole-ligand
Descriptor: Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly), IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T.
Deposit date:2017-09-07
Release date:2018-09-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
5ZIQ
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BU of 5ziq by Molmil
Crystal structure of hexacoordinated heme protein from anhydrobiotic tardigrade at pH 4
Descriptor: 1,2-ETHANEDIOL, Globin protein, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kim, J, Fukuda, Y, Inoue, T.
Deposit date:2018-03-16
Release date:2019-01-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Kumaglobin: a hexacoordinated heme protein from an anhydrobiotic tardigrade, Ramazzottius varieornatus.
FEBS J., 286, 2019
5YZF
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BU of 5yzf by Molmil
X-ray crystal structure of met K42C sperm whale myoglobin
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, sperm whale myoglobin
Authors:Yuan, H.
Deposit date:2017-12-14
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Formation of Cys-heme cross-link in K42C myoglobin under reductive conditions with molecular oxygen
J. Inorg. Biochem., 182, 2018
5Z7E
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BU of 5z7e by Molmil
Horse Heart Myoglobin Mutant - H93M
Descriptor: Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Yi, J.
Deposit date:2018-01-28
Release date:2019-01-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Horse Heart Myoglobin Mutant - H93M
To Be Published
5ZM9
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BU of 5zm9 by Molmil
Crystal structure of hexacoordinated heme protein from anhydrobiotic tardigrade at pH 7
Descriptor: CHLORIDE ION, Globin Protein, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kim, J, Fukuda, Y, Inoue, T.
Deposit date:2018-04-02
Release date:2019-01-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of Kumaglobin: a hexacoordinated heme protein from an anhydrobiotic tardigrade, Ramazzottius varieornatus.
FEBS J., 286, 2019
5Z7F
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BU of 5z7f by Molmil
Horse Heart Myoglobin Mutant -V68A/I107Y-Sulfide Derivative
Descriptor: GLYCEROL, HYDROSULFURIC ACID, Myoglobin, ...
Authors:Yi, J.
Deposit date:2018-01-28
Release date:2019-01-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Horse Heart Myoglobin Mutant -V68A/I107Y-Sulfide Derivative
To Be Published

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PDB entries from 2024-03-27

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