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8F9I
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BU of 8f9i by Molmil
H64A swMb-EtNO adduct
Descriptor: Myoglobin, NITROSOETHANE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Herrera, V.E, Thomas, L.N.
Deposit date:2022-11-23
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Biochemistry, 62, 2023
8F9J
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BU of 8f9j by Molmil
H64A swMb-PrNO adduct
Descriptor: 1-nitrosopropane, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Herrera, V.E, Thomas, L.M.
Deposit date:2022-11-23
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Biochemistry, 62, 2023
8J4K
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BU of 8j4k by Molmil
X-ray crystal structure of F46C myoglobin with a covalently linked phenol group
Descriptor: 1-(4-hydroxyphenyl)pyrrole-2,5-dione, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yuan, H, Lin, Y.W.
Deposit date:2023-04-20
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:X-ray crystal structure of F46C myoglobin with a covalently linked phenol group
To Be Published
6RA6
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BU of 6ra6 by Molmil
Ferric murine neuroglobin Gly-loop44-47/F106A mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Exertier, C, Freda, I, Montemiglio, L.C, Savino, C, Vallone, B.
Deposit date:2019-04-05
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lack of orientation selectivity of the heme insertion in murine neuroglobin revealed by resonance Raman spectroscopy.
Febs J., 287, 2020
8J4L
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BU of 8j4l by Molmil
X-ray crystal structure of F46C myoglobin with a covalently linked triazole group
Descriptor: 1H-1,2,3-triazole-5-thiol, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yuan, H, Lin, Y.W.
Deposit date:2023-04-20
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:X-ray crystal structure of F46C myoglobin with a covalently linked triazole group
To Be Published
8FDM
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BU of 8fdm by Molmil
Human Hemoglobin in Complex with Nitrosomethane
Descriptor: GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Powell, S.M, Richter-Addo, G.B, Thomas, L.M.
Deposit date:2022-12-03
Release date:2023-07-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin.
J.Inorg.Biochem., 246, 2023
8GRZ
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BU of 8grz by Molmil
X-ray crystal structure of V71C human neuroglobin mutant
Descriptor: Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, Y.W.
Deposit date:2022-09-03
Release date:2023-09-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystal structure of V71C human neuroglobin mutant
To Be Published
6R2O
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BU of 6r2o by Molmil
Hemoglobin structure from serial crystallography with a 3D-printed nozzle.
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Hemoglobin subunit alpha, ...
Authors:Oberthuer, D, Yefanov, O, Sarrou, I.
Deposit date:2019-03-18
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Ultracompact 3D microfluidics for time-resolved structural biology.
Nat Commun, 11, 2020
6R1Q
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BU of 6r1q by Molmil
murine Neuroglobin under 2 kBar of argon
Descriptor: ARGON, CHLORIDE ION, Neuroglobin, ...
Authors:Prange, T, Colloc'h, N, Carpentier, P, Vallone, B.
Deposit date:2019-03-14
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Argon-labelling protein crystals by high pressure cooling at 2000 Bar
To Be Published
8KFH
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BU of 8kfh by Molmil
Crystal structure of sperm whale myoglobin reconstituted with manganese porphycene
Descriptor: Myoglobin, PORPHYCENE CONTAINING MN, SULFATE ION
Authors:Mizohata, E, Oohora, K, Hayashi, T.
Deposit date:2023-08-15
Release date:2024-08-21
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Rational Design of an Artificial Ethylbenzene Hydroxylase Using Molecular Dynamics Simulation to Enhance the Enantioselectivity
To Be Published
8KFJ
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BU of 8kfj by Molmil
Crystal structure of sperm whale myoglobin (F46L/H64A mutant) reconstituted with manganese porphycene
Descriptor: CHLORIDE ION, Myoglobin, PORPHYCENE CONTAINING MN, ...
Authors:Mizohata, E, Oohora, K, Hayashi, T.
Deposit date:2023-08-15
Release date:2024-08-21
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational Design of an Artificial Ethylbenzene Hydroxylase Using Molecular Dynamics Simulation to Enhance the Enantioselectivity
To Be Published
6RP5
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BU of 6rp5 by Molmil
Crystal structure of monocarboxylated hemoglobin from the sub-Antarctic fish Eleginops maclovinus
Descriptor: CARBON MONOXIDE, DITHIONITE, Hemoglobin subunit alpha 1, ...
Authors:Balasco, N, Vitagliano, L, Merlino, A, Verde, C, Mazzarella, L, Vergara, A.
Deposit date:2019-05-13
Release date:2019-12-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:The unique structural features of carbonmonoxy hemoglobin from the sub-Antarctic fish Eleginops maclovinus.
Sci Rep, 9, 2019
6SVA
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BU of 6sva by Molmil
Multicrystal structure of equine Haemoglobin at room temperature using a multilayer monochromator.
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sandy, J, Sanchez-Weatherby, J, Mikolajek, H, Lewis, G, Angus, R.
Deposit date:2019-09-18
Release date:2019-11-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Protein-to-structure pipeline for ambient-temperature crystallography at VMXi
Iucrj, 2023
8KFI
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BU of 8kfi by Molmil
Crystal structure of sperm whale myoglobin (F43A/H64I mutant) reconstituted with manganese porphycene
Descriptor: Myoglobin, PORPHYCENE CONTAINING MN, SULFATE ION
Authors:Mizohata, E, Oohora, K, Hayashi, T.
Deposit date:2023-08-15
Release date:2024-08-21
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Rational Design of an Artificial Ethylbenzene Hydroxylase Using Molecular Dynamics Simulation to Enhance the Enantioselectivity
To Be Published
8OUP
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BU of 8oup by Molmil
Structural characterization of the hexa-coordinated globin from Spisula solidissima
Descriptor: GLYCEROL, Nerve hemoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nardini, M, Pesce, A.
Deposit date:2023-04-24
Release date:2023-07-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and dynamic characterization of the hexa-coordinated globin from Spisula solidissima.
J.Inorg.Biochem., 246, 2023
7HBI
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BU of 7hbi by Molmil
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
8VKC
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BU of 8vkc by Molmil
Crystal structure of dehaloperoxidase A in complex with substrate 4-nitrophenol
Descriptor: Dehaloperoxidase A, GLYCEROL, P-NITROPHENOL, ...
Authors:Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S.
Deposit date:2024-01-08
Release date:2024-07-17
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Biochemistry, 63, 2024
8VKD
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BU of 8vkd by Molmil
Crystal structure of dehaloperoxidase A in complex with substrate 4-nitrocatechol
Descriptor: 4-NITROCATECHOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S.
Deposit date:2024-01-08
Release date:2024-07-17
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Biochemistry, 63, 2024
8WF5
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BU of 8wf5 by Molmil
Horse heart myoglobin reconstituted with an iron complex of porphyrin bearing two CF3 groups (rMb(FePor(CF3)2))
Descriptor: GLYCEROL, Myoglobin, PROTOPORPHYRIN(CF3)2 CONTAINING FE, ...
Authors:Kagawa, Y, Oohora, K, Himiyama, T, Suzuki, A, Hayashi, T.
Deposit date:2023-09-19
Release date:2024-06-12
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Redox Engineering of Myoglobin by Cofactor Substitution to Enhance Cyclopropanation Reactivity.
Angew.Chem.Int.Ed.Engl., 63, 2024
8VSK
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BU of 8vsk by Molmil
Crystal structure of Dehaloperoxidase A in complex with substrate 2,4-dibromophenol
Descriptor: 2,4-bis(bromanyl)phenol, DI(HYDROXYETHYL)ETHER, Dehaloperoxidase A, ...
Authors:Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S.
Deposit date:2024-01-24
Release date:2024-07-17
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.515 Å)
Cite:Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Biochemistry, 63, 2024
8VZR
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BU of 8vzr by Molmil
Crystal structure of dehaloperoxidase A in complex with substrate 4-bromo-o-cresol
Descriptor: 4-bromo-2-methylphenol, DI(HYDROXYETHYL)ETHER, Dehaloperoxidase A, ...
Authors:Aktar, M.S, de Serrano, V.S, Ghiladi, R.A, Franzen, S.
Deposit date:2024-02-12
Release date:2024-07-17
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural Comparison of Substrate Binding Sites in Dehaloperoxidase A and B.
Biochemistry, 63, 2024
8VYL
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BU of 8vyl by Molmil
The structure of Human Hemoglobin in Complex with Nanobody BtNbE11
Descriptor: ACETYL GROUP, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Grinter, R, Binks, S, Fox, D.
Deposit date:2024-02-08
Release date:2024-07-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:The structure of a haemoglobin-nanobody complex reveals human beta-subunit-specific interactions.
Febs Lett., 598, 2024
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
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
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

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