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5URC
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Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease
Descriptor: (5-formylfuran-2-yl)methyl acetate, 5-HYDROXYMETHYL-FURFURAL, CARBON MONOXIDE, ...
Authors:Pagare, P.P, Safo, R.S, Gazi, A.
Deposit date:2017-02-10
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design, Synthesis, and Biological Evaluation of Ester and Ether Derivatives of Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease.
Mol. Pharm., 14, 2017
5UFJ
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BU of 5ufj by Molmil
Crystal Structure of Carbonmonoxy Hemoglobin S (Liganded Sickle Cell Hemoglobin) Complexed with GBT Compound 6
Descriptor: 5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B.
Deposit date:2017-01-04
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin.
ACS Med Chem Lett, 8, 2017
5UCU
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BU of 5ucu by Molmil
STRUCTURAL AND MECHANISTIC INSIGHTS INTO HEMOGLOBIN-CATALYZED HYDROGEN SULFIDE OXIDATION AND THE FATE OF POLYSULFIDE PRODUCTS
Descriptor: HYDROSULFURIC ACID, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Vitvitsky, V, Yadav, P.K, An, S, Seravalli, J, Cho, U.-S, Banerjee, R.
Deposit date:2016-12-22
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:Structural and Mechanistic Insights into Hemoglobin-catalyzed Hydrogen Sulfide Oxidation and the Fate of Polysulfide Products.
J. Biol. Chem., 292, 2017
5U3I
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BU of 5u3i by Molmil
CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT compound 31
Descriptor: 2-methoxy-5-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)pyridine-4-carbaldehyde, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Partridge, J.R, Choy, R.M, Li, Z, Metcalf, B.
Deposit date:2016-12-02
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of GBT440, an Orally Bioavailable R-State Stabilizer of Sickle Cell Hemoglobin.
ACS Med Chem Lett, 8, 2017
5SW7
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BU of 5sw7 by Molmil
Structure of the Human Hemoglobin Mutant Hb Providence (A-Gly-C:V1M; B,D:V1M,K82D; Ferrous, carbonmonoxy bound)
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Soman, J, Olson, J.S.
Deposit date:2016-08-08
Release date:2016-08-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Structure of the Human Hemoglobin Mutant Hb Providence (A-Gly-C:V1M; B,D:V1M,K82D; Ferrous, carbonmonoxy bound)
To Be Published
5OJC
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BU of 5ojc by Molmil
Structure of MbQ2.1 NMH
Descriptor: IMIDAZOLE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hayashi, T, Pott, M, Mori, T, Mittl, P, Green, A, Hivert, D.
Deposit date:2017-07-21
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A Noncanonical Proximal Heme Ligand Affords an Efficient Peroxidase in a Globin Fold.
J. Am. Chem. Soc., 140, 2018
5OJB
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BU of 5ojb by Molmil
Structure of MbQ NMH
Descriptor: IMIDAZOLE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hayashi, T, Pott, M, Mori, T, Mittl, P, Green, A, Hivert, D.
Deposit date:2017-07-21
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.543 Å)
Cite:A Noncanonical Proximal Heme Ligand Affords an Efficient Peroxidase in a Globin Fold.
J. Am. Chem. Soc., 140, 2018
5OJA
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BU of 5oja by Molmil
Structure of MbQ
Descriptor: IMIDAZOLE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hayashi, T, Pott, M, Mori, T, Mittl, P, Green, A, Hivert, D.
Deposit date:2017-07-21
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.347 Å)
Cite:A Noncanonical Proximal Heme Ligand Affords an Efficient Peroxidase in a Globin Fold.
J. Am. Chem. Soc., 140, 2018
5OJ9
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BU of 5oj9 by Molmil
Structure of Mb NMH
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hayashi, T, Pott, M, Mori, T, Mittl, P, Green, A, Hivert, D.
Deposit date:2017-07-21
Release date:2018-01-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.483 Å)
Cite:A Noncanonical Proximal Heme Ligand Affords an Efficient Peroxidase in a Globin Fold.
J. Am. Chem. Soc., 140, 2018
5O41
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BU of 5o41 by Molmil
Low-dose fixed target serial synchrotron crystallography structure of sperm whale myoglobin
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Owen, R.L, Axford, D, Sherrell, D, Mueller-Werkmeister, H.
Deposit date:2017-05-25
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Low-dose fixed-target serial synchrotron crystallography.
Acta Crystallogr D Struct Biol, 73, 2017
5O27
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BU of 5o27 by Molmil
Crystal structure of murine neuroglobin mutant V140W under 30 bar xenon pressure
Descriptor: Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Colloc'h, N, Prange, T.
Deposit date:2017-05-19
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Mapping Hydrophobic Tunnels and Cavities in Neuroglobin with Noble Gas under Pressure.
Biophys. J., 113, 2017
5O1K
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BU of 5o1k by Molmil
Crystal structure of murine neuroglobin mutant V140W under 20 bar xenon pressure
Descriptor: 1,4-DIETHYLENE DIOXIDE, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Colloc'h, N, Prange, T.
Deposit date:2017-05-18
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Mapping Hydrophobic Tunnels and Cavities in Neuroglobin with Noble Gas under Pressure.
Biophys. J., 113, 2017
5O18
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BU of 5o18 by Molmil
Crystal structure of murine neuroglobin mutant V140W
Descriptor: Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Colloc'h, N, Prange, T.
Deposit date:2017-05-18
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Mapping Hydrophobic Tunnels and Cavities in Neuroglobin with Noble Gas under Pressure.
Biophys. J., 113, 2017
5O17
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BU of 5o17 by Molmil
Crystal structure of murine neuroglobin under 100 bar krypton
Descriptor: KRYPTON, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Colloc'h, N, Prange, T, Vallone, B, Carpentier, P.
Deposit date:2017-05-18
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mapping Hydrophobic Tunnels and Cavities in Neuroglobin with Noble Gas under Pressure.
Biophys. J., 113, 2017
5NW6
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BU of 5nw6 by Molmil
Crystal structure of murine neuroglobin under 50 bar krypton pressure
Descriptor: KRYPTON, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Colloc'h, N, Prange, T.
Deposit date:2017-05-05
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mapping Hydrophobic Tunnels and Cavities in Neuroglobin with Noble Gas under Pressure.
Biophys. J., 113, 2017
5NVI
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BU of 5nvi by Molmil
Crystal structure of murine neuroglobin under 50 bar argon pressure
Descriptor: ARGON, Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Colloc'h, N, Prange, T.
Deposit date:2017-05-04
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mapping Hydrophobic Tunnels and Cavities in Neuroglobin with Noble Gas under Pressure.
Biophys. J., 113, 2017
5NI1
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BU of 5ni1 by Molmil
CryoEM structure of haemoglobin at 3.2 A determined with the Volta phase plate
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Khoshouei, M, Radjainia, M, Bunker, R, Baumeister, W, Danev, R.
Deposit date:2017-03-22
Release date:2017-04-12
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of haemoglobin at 3.2 angstrom determined with the Volta phase plate.
Nat Commun, 8, 2017
5MJD
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BU of 5mjd by Molmil
metNgb under oxygen at 80 bar
Descriptor: Neuroglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Prange, T, Colloc'h, N, Carpentier, P.
Deposit date:2016-11-30
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
5MJC
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BU of 5mjc by Molmil
metNeuroglobin under oxygen at 50 bar
Descriptor: 1,4-DIETHYLENE DIOXIDE, Neuroglobin, OXYGEN MOLECULE, ...
Authors:Prange, T, Colloc'h, N, Carpentier, P, Vallone, B.
Deposit date:2016-11-30
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
5MBN
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BU of 5mbn by Molmil
REFINEMENT OF MYOGLOBIN AND CYTOCHROME C
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Takano, T.
Deposit date:1988-01-14
Release date:1989-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Refinement of Myoglobin and Cytochrome C
Methods and Applications in Crystallographic Computing, 1984
5MBA
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BU of 5mba by Molmil
BINDING MODE OF AZIDE TO FERRIC APLYSIA LIMACINA MYOGLOBIN. CRYSTALLOGRAPHIC ANALYSIS AT 1.9 ANGSTROMS RESOLUTION
Descriptor: AZIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bolognesi, M, Onesti, S, Gatti, G, Coda, A, Ascenzi, P, Brunori, M.
Deposit date:1991-01-14
Release date:1992-07-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Binding mode of azide to ferric Aplysia limacina myoglobin. Crystallographic analysis at 1.9 A resolution.
J.Mol.Recog., 4, 1991
5M3S
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BU of 5m3s by Molmil
Low-dose fixed target serial synchrotron crystallography structure of Metmyoglobin
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Axford, D, Owen, R.L, Sherrell, D, Muller-Werkmeister, H.
Deposit date:2016-10-17
Release date:2016-12-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Low-dose fixed-target serial synchrotron crystallography.
Acta Crystallogr D Struct Biol, 73, 2017
5M3L
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BU of 5m3l by Molmil
Single-particle cryo-EM using alignment by classification (ABC): the structure of Lumbricus terrestris hemoglobin
Descriptor: Extracellular globin-2, Extracellular globin-3, Extracellular globin-4, ...
Authors:Afanasyev, P, Linnemayr-Seer, C, Ravelli, R.B.G, Matadeen, R, De Carlo, S, Alewijnse, B, Portugal, R.V, Pannu, N.S, Schatz, M, van Heel, M.
Deposit date:2016-10-15
Release date:2017-09-13
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Single-particle cryo-EM using alignment by classification (ABC): the structure of Lumbricus terrestris haemoglobin.
IUCrJ, 4, 2017
5LLZ
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BU of 5llz by Molmil
Dehaloperoxidase B from Amphitrite ornata: benzotriazole complex
Descriptor: 1H-benzotriazole, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Chicano, T.M, Dworkowski, F.S.N, Hough, M.A.
Deposit date:2016-07-28
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Dehaloperoxidase B from Amphitrite ornata: benzotriazole complex
to be published
5LKV
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BU of 5lkv by Molmil
Dehaloperoxidase B from Amphitrite ornata: imidazole complex
Descriptor: Dehaloperoxidase B, GLYCEROL, IMIDAZOLE, ...
Authors:Chicano, T.M, Dworkowski, F.S.N, Hough, M.A.
Deposit date:2016-07-25
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Dehaloperoxidase B from Amphitrite ornata: imidazole complex
to be published

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