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5URC
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BU of 5urc by Molmil
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
5UT9
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BU of 5ut9 by Molmil
Sperm whale myoglobin H64A with nitrite
Descriptor: GLYCEROL, Myoglobin, NITRITE ION, ...
Authors:Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2017-02-14
Release date:2018-02-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 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
5UT7
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BU of 5ut7 by Molmil
Wild-type sperm whale myoglobin with nitrite
Descriptor: GLYCEROL, Myoglobin, NITRITE ION, ...
Authors:Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2017-02-14
Release date:2018-02-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 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
5UTC
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BU of 5utc by Molmil
Deoxy form of sperm whale myoglobin V68A/I107Y
Descriptor: GLYCEROL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2017-02-14
Release date:2018-02-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 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
5VNU
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BU of 5vnu by Molmil
Nonheme Iron Replacement in a Biosynthetic Nitric Oxide Reductase Model Performing O2 Reduction to Water: Mn-bound FeBMb
Descriptor: MANGANESE (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Reed, J, Shi, Y, Zhu, Q, Chakraborty, S, Mirs, E.N, Petrik, I.D, Bhagi-Damodaran, A, Ross, M, Moenne-Loccoz, P, Zhang, Y, Lu, Y.
Deposit date:2017-05-01
Release date:2017-08-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.584 Å)
Cite:Manganese and Cobalt in the Nonheme-Metal-Binding Site of a Biosynthetic Model of Heme-Copper Oxidase Superfamily Confer Oxidase Activity through Redox-Inactive Mechanism.
J. Am. Chem. Soc., 139, 2017
5VLX
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BU of 5vlx by Molmil
Dehaloperoxidase B mutant F21W
Descriptor: Dehaloperoxidase B, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Carey, L.M, Ghiladi, R.A.
Deposit date:2017-04-26
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Selective tuning of activity in a multifunctional enzyme as revealed in the F21W mutant of dehaloperoxidase B from Amphitrite ornata.
J. Biol. Inorg. Chem., 23, 2018
5VTT
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BU of 5vtt by Molmil
Dehaloperoxidase B Y38F mutant
Descriptor: Dehaloperoxidase B, GLYCEROL, OXYGEN MOLECULE, ...
Authors:Carey, L.M, Ghiladi, R.A.
Deposit date:2017-05-18
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Probing the Structure-Function Relationship of a Multifunctional Enzyme using Crystallographic Diffraction Methods
Thesis, North Carolina State University, 2017
5VZN
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BU of 5vzn by Molmil
Wild-type sperm whale myoglobin with nitric oxide
Descriptor: GLYCEROL, Myoglobin, NITRIC OXIDE, ...
Authors:Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2017-05-29
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 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
5VRT
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BU of 5vrt by Molmil
Nonheme Iron Replacement in a Biosynthetic Nitric Oxide Reductase Model Performing O2 Reduction to Water: Co-bound FeBMb
Descriptor: COBALT (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Reed, J, Shi, Y, Zhu, Q, Chakraborty, S, Mirs, E.N, Petrik, I.D, Bhagi-Damodaran, A, Ross, M, Moenne-Loccoz, P, Zhang, Y, Lu, Y.
Deposit date:2017-05-11
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Manganese and Cobalt in the Nonheme-Metal-Binding Site of a Biosynthetic Model of Heme-Copper Oxidase Superfamily Confer Oxidase Activity through Redox-Inactive Mechanism.
J. Am. Chem. Soc., 139, 2017
5VZQ
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BU of 5vzq by Molmil
Sperm whale myoglobin V68A/I107Y with nitric oxide
Descriptor: Myoglobin, NITRIC OXIDE, NITRITE ION, ...
Authors:Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2017-05-29
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.79 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
5VTS
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BU of 5vts by Molmil
Dehaloperoxidase B Y28F mutant
Descriptor: Dehaloperoxidase B, GLYCEROL, OXYGEN MOLECULE, ...
Authors:Carey, L.M, Ghiladi, R.A.
Deposit date:2017-05-18
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.571 Å)
Cite:Probing the Structure-Function Relationship of a Multifunctional Enzyme using Crystallographic Diffraction Methods
Thesis, North Carolina State University, 2017
5VZO
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BU of 5vzo by Molmil
Sperm whale myoglobin H64A with nitric oxide
Descriptor: GLYCEROL, Myoglobin, NITRIC OXIDE, ...
Authors:Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2017-05-29
Release date:2018-06-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.78 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
5VZP
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BU of 5vzp by Molmil
Sperm whale myoglobin H64Q with nitric oxide
Descriptor: GLYCEROL, Myoglobin, NITRIC OXIDE, ...
Authors:Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2017-05-29
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 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
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
4F6B
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BU of 4f6b by Molmil
Aquomet structure of His100Phe Cerebratulus lacteus mini-hemoglobin
Descriptor: GLYCEROL, Neural hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Soman, J, Salter, M.D, Olson, J.S.
Deposit date:2012-05-14
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Aquomet structure of His100Phe Cerebratulus lacteus mini-hemoglobin
To be Published
4F6D
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BU of 4f6d by Molmil
Oxy structure of His100Phe Cerebratulus lacteus mini-hemoglobin
Descriptor: Neural hemoglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Soman, J, Salter, M.D, Olson, J.S.
Deposit date:2012-05-14
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Oxy structure of His100Phe Cerebratulus lacteus mini-hemoglobin
To be Published
4F6I
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BU of 4f6i by Molmil
Oxy Structure of His100Trp Cerebratulus lacteus mini-hemoglobin
Descriptor: Neural hemoglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Soman, J, Salter, M.D, Olson, J.S.
Deposit date:2012-05-14
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Oxy Structure of His100Trp Cerebratulus lacteus mini-hemoglobin
To be Published
4F6J
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BU of 4f6j by Molmil
Carbonmonoxy structure of His100Trp Cerebratulus lacteus mini-hemoglobin
Descriptor: CARBON MONOXIDE, Neural hemoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Soman, J, Salter, M.D, Olson, J.S.
Deposit date:2012-05-14
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Carbonmonoxy structure of His100Trp Cerebratulus lacteus mini-hemoglobin
To be Published

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