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PDB: 11 results
8UCX
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BU of 8ucx by Molmil
Dihydrofolate Reductase Complexed with Folate
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION
Authors:Fried, S.D.E, Boxer, S.G.
Deposit date:2023-09-27
Release date:2023-10-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Role of Electrostatics in Hydride Transfer by Dihydrofolate Reductase
To Be Published
8VZ4
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L54G Mutant of E. coli Dihydrofolate Reductase Complexed with Nicotinamide Adenine Dinucleotide Phosphate (oxidized form)
Descriptor: Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Fried, S.D.E, Boxer, S.G.
Deposit date:2024-02-09
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Role of Electrostatics in Hydride Transfer by Dihydrofolate Reductase
To Be Published
6X5J
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BU of 6x5j by Molmil
Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors
Descriptor: 2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, Coagulation factor IX, ...
Authors:Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S.
Deposit date:2020-05-26
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.513 Å)
Cite:Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6X5L
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Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors
Descriptor: 4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide, CITRIC ACID, Coagulation factor IX, ...
Authors:Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S.
Deposit date:2020-05-26
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6X5P
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BU of 6x5p by Molmil
Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors
Descriptor: 3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide, CITRIC ACID, Coagulation factor IX, ...
Authors:Jayne, C.L, Andreani, T, Chan, T, Chelliah, M.V, Clasby, M.C, Dwyer, M, Eagen, K.A, Fried, S, Greenlee, W.J, Guo, Z, Hawes, B, Hruza, A, Ingram, R, Keertikar, K.M, Neelamkavil, S, Reichert, P, Xia, Y, Chackalamannil, S.
Deposit date:2020-05-26
Release date:2020-06-24
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
5D82
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BU of 5d82 by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI); D40N, Y16(Cl-Y)
Descriptor: Delta(5)-3-ketosteroid isomerase
Authors:Wu, Y, Fried, S.D, Boxer, S.G.
Deposit date:2015-08-15
Release date:2015-12-02
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Dissecting Proton Delocalization in an Enzyme's Hydrogen Bond Network with Unnatural Amino Acids.
Biochemistry, 54, 2015
5D81
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BU of 5d81 by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI); D40N, Y57(Cl-Y)
Descriptor: Delta(5)-3-ketosteroid isomerase, SULFATE ION
Authors:Wu, Y, Fried, S.D, Boxer, S.G.
Deposit date:2015-08-15
Release date:2015-12-02
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Dissecting Proton Delocalization in an Enzyme's Hydrogen Bond Network with Unnatural Amino Acids.
Biochemistry, 54, 2015
5D83
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BU of 5d83 by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI); D40N, Y32(Cl-Y)
Descriptor: Delta(5)-3-ketosteroid isomerase
Authors:Wu, Y, Fried, S.D, Boxer, S.G.
Deposit date:2015-08-15
Release date:2015-12-02
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dissecting Proton Delocalization in an Enzyme's Hydrogen Bond Network with Unnatural Amino Acids.
Biochemistry, 54, 2015
4BZ2
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BU of 4bz2 by Molmil
Structure of dengue virus EDIII in complex with Fab 2D73
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ENVELOPE PROTEIN, ...
Authors:Li, J, Watterson, D, Chang, C.W, Li, X.Q, Ericsson, D.J, Qiu, L.W, Cai, J.P, Chen, J, Fry, S.R, Cooper, M.A, Che, X.Y, Young, P.R, Kobe, B.
Deposit date:2013-07-23
Release date:2014-08-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structure of Dengue Virus Ediii in Complex with Fab 2D73
To be Published
6HRM
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BU of 6hrm by Molmil
E. coli 70S d2d8 stapled ribosome
Descriptor: 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Schmied, W.H, Tnimov, Z, Uttamapinant, C, Rae, C.D, Fried, S.D, Chin, J.W.
Deposit date:2018-09-27
Release date:2018-12-19
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Controlling orthogonal ribosome subunit interactions enables evolution of new function.
Nature, 564, 2018
4BZ1
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Structure of dengue virus EDIII in complex with Fab 3e31
Descriptor: CHLORIDE ION, ENVELOPE PROTEIN, FAB 3E31 HEAVY CHAIN, ...
Authors:Li, J, Watterson, D, Chang, C.W, Li, X.Q, Ericsson, D.J, Qiu, L.W, Cai, J.P, Chen, J, Fry, S.R, Cooper, M.A, Che, X.Y, Young, P.R, Kobe, B.
Deposit date:2013-07-23
Release date:2014-08-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of Dengue Virus Ediii in Complex with Fab 3E31
To be Published

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