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7UBP
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BU of 7ubp by Molmil
The crystal structure of the K36A/K137A double mutant of E. coli YGGS in complex with PLP
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein, SULFATE ION
Authors:Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-15
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
7U9C
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BU of 7u9c by Molmil
Crystal Structure of the wild type Escherichia coli Pyridoxal 5'-phosphate homeostasis protein (YGGS)
Descriptor: PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein
Authors:Donkor, A.K, Ghatge, M.S, Safo, M.K, Musayev, F.N.
Deposit date:2022-03-10
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
7UAT
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BU of 7uat by Molmil
The crystal structure of the K36A mutant of E. coli YGGS in complex with PLP
Descriptor: PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein
Authors:Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-14
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
7UB8
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BU of 7ub8 by Molmil
The crystal structure of the K38A/K137A/K233A/K234A quadruple mutant of E. coli YGGS in complex with PLP
Descriptor: 1,4-BUTANEDIOL, PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein
Authors:Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-14
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
7UBQ
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BU of 7ubq by Molmil
The crystal structure of the wild-type of E. coli YGGS in complex with PNP
Descriptor: PYRIDOXINE-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein
Authors:Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-15
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
7UB4
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BU of 7ub4 by Molmil
The crystal structure of the K36A/K38A/K233A/K234A quadruple mutant of E. coli YGGS in complex with PLP
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Pyridoxal phosphate homeostasis protein
Authors:Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-14
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022
7UD7
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BU of 7ud7 by Molmil
Crystal structure of deoxygenated hemoglobin in complex with 5HMF-NO at 1.8 Angstrom
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Donkor, A.K, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-18
Release date:2022-03-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease.
Biomolecules, 12, 2022
7UF6
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BU of 7uf6 by Molmil
Crystal structure of liganded Hb with the 5-HMF analog, MMA509
Descriptor: (2S)-2-(5-methylfuran-2-yl)oxane, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Donkor, A.K, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-22
Release date:2022-03-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Improving the antisickling activity of furaldehyde
To be published
7UD8
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BU of 7ud8 by Molmil
Crystal structure of carbon monoxy Hemoglobin in complex with 5HMF at 1.8 Angstrom
Descriptor: (5-methylfuran-2-yl)methanol, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Donkor, A.K, Musayev, F.N, Safo, M.S.
Deposit date:2022-03-18
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease.
Biomolecules, 12, 2022
7UF7
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BU of 7uf7 by Molmil
Crystal structure of liganded Hb with the 5-HMF analog, MMA503
Descriptor: (5P)-5-(5-methylfuran-2-yl)-1H-pyrazole, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Donkor, A.K, Musayev, F.N, Safo, M.K.
Deposit date:2022-03-22
Release date:2022-03-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Improving the antisickling activity of furaldehyde
To be published
7N1R
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BU of 7n1r by Molmil
A novel and unique ATP hydrolysis to AMP by a human Hsp70 BiP
Descriptor: ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP, ...
Authors:Yang, J, Musayev, F, Liu, Q.
Deposit date:2021-05-28
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A novel and unique ATP hydrolysis to AMP by a human Hsp70 Binding immunoglobin protein (BiP).
Protein Sci., 31, 2022
2QO0
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BU of 2qo0 by Molmil
Crystal structure of the complex between the A246F mutant of mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and 11-(decyldithiocarbonyloxy)-undecanoic acid
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 3, DECANE-1-THIOL
Authors:Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A.
Deposit date:2007-07-19
Release date:2008-05-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Chem.Biol., 15, 2008
2QNY
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BU of 2qny by Molmil
Crystal structure of the complex between the A246F mutant of mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and SS-(2-hydroxyethyl) O-decyl ester carbono(dithioperoxoic) acid
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 3, BETA-MERCAPTOETHANOL, DECYL FORMATE
Authors:Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A.
Deposit date:2007-07-19
Release date:2008-05-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Chem.Biol., 15, 2008
2QNZ
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BU of 2qnz by Molmil
Crystal structure of the complex between the mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and SS-(2-hydroxyethyl)-O-decyl ester carbono(dithioperoxoic) acid
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 3, BETA-MERCAPTOETHANOL, DECYL FORMATE
Authors:Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A.
Deposit date:2007-07-19
Release date:2008-05-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Chem.Biol., 15, 2008
2QNX
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BU of 2qnx by Molmil
Crystal structure of the complex between the mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and 11-[(decyloxycarbonyl)dithio]-undecanoic acid
Descriptor: 11-MERCAPTOUNDECANOIC ACID, 3-oxoacyl-[acyl-carrier-protein] synthase 3, O-DECYL HYDROGEN THIOCARBONATE
Authors:Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A.
Deposit date:2007-07-19
Release date:2008-05-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Chem.Biol., 15, 2008
4RJY
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BU of 4rjy by Molmil
Crystal structure of E. coli L-Threonine Aldolase in complex with a non-covalently uncleaved bound L-serine substrate
Descriptor: Low specificity L-threonine aldolase, SERINE, SODIUM ION
Authors:Safo, M.K, Chowdhury, N, Gandhi, A.K.
Deposit date:2014-10-11
Release date:2014-10-29
Last modified:2015-02-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis of E. colil-threonine aldolase catalytic inactivation at low pH.
Biochim.Biophys.Acta, 1854, 2015
2QO1
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BU of 2qo1 by Molmil
2.6 Angstrom Crystal Structure of the Complex Between 11-(decyldithiocarbonyloxy)-undecanoic acid and Mycobacterium Tuberculosis FabH.
Descriptor: 11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC ACID, 3-oxoacyl-[acyl-carrier-protein] synthase 3, DECANE-1-THIOL
Authors:Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A.
Deposit date:2007-07-19
Release date:2008-05-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Separate Entrance and Exit Portals for Ligand Traffic in Mycobacterium tuberculosis FabH
Chem.Biol., 15, 2008
3OO4
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BU of 3oo4 by Molmil
R-state human hemoglobin: nitriheme modified at alpha
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ...
Authors:Yi, J, Thormas, L.M, Richter-Addo, G.B.
Deposit date:2010-08-30
Release date:2011-09-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic Trapping of Heme Loss Intermediates during the Nitrite-Induced Degradation of Human Hemoglobin.
Biochemistry, 50, 2011
3OO5
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BU of 3oo5 by Molmil
R-state human hemoglobin: nitriheme modified
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ...
Authors:Yi, J, Thormas, L.M, Richter-Addo, G.B.
Deposit date:2010-08-30
Release date:2011-09-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic Trapping of Heme Loss Intermediates during the Nitrite-Induced Degradation of Human Hemoglobin.
Biochemistry, 50, 2011
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
7JSG
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BU of 7jsg by Molmil
Adeno-Associated Virus 2 Rep68 HD-Heptamer-ssDNA with ATPgS
Descriptor: DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Protein Rep68
Authors:Escalante, C.R.
Deposit date:2020-08-14
Release date:2020-12-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:The Cryo-EM structure of AAV2 Rep68 in complex with ssDNA reveals a malleable AAA+ machine that can switch between oligomeric states.
Nucleic Acids Res., 48, 2020
7JSH
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BU of 7jsh by Molmil
Adeno-Associated Virus 2 Rep68 HD Heptamer-ssAAVS1 with ATPgS
Descriptor: DNA (5'-D(P*CP*GP*CP*TP*CP*GP*CP*TP*CP*GP*CP*TP*CP*GP*C)-3'), Protein Rep68
Authors:Escalante, C.R.
Deposit date:2020-08-14
Release date:2020-12-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:The Cryo-EM structure of AAV2 Rep68 in complex with ssDNA reveals a malleable AAA+ machine that can switch between oligomeric states.
Nucleic Acids Res., 48, 2020
7JSE
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BU of 7jse by Molmil
Adeno-Associated Virus Origin Binding Domain in complex with ssDNA
Descriptor: DNA (5'-D(*TP*TP*TP*T)-3'), Protein Rep68
Authors:Escalante, C.R.
Deposit date:2020-08-14
Release date:2020-12-09
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:The Cryo-EM structure of AAV2 Rep68 in complex with ssDNA reveals a malleable AAA+ machine that can switch between oligomeric states.
Nucleic Acids Res., 48, 2020
7JSF
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BU of 7jsf by Molmil
Adeno-Associated Virus Helicase domain Heptamer with ssDNA
Descriptor: DNA (5'-D(P*TP*TP*TP*T)-3'), Protein Rep68
Authors:Escalante, C.R.
Deposit date:2020-08-14
Release date:2020-12-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.7 Å)
Cite:The Cryo-EM structure of AAV2 Rep68 in complex with ssDNA reveals a malleable AAA+ machine that can switch between oligomeric states.
Nucleic Acids Res., 48, 2020
7JSI
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BU of 7jsi by Molmil
Adeno-Associated Virus 2 Rep68 HD Hexamer-ssDNA with ATPgS
Descriptor: DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*T)-3'), Protein Rep68
Authors:Escalante, C.R.
Deposit date:2020-08-14
Release date:2020-12-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (5.01 Å)
Cite:The Cryo-EM structure of AAV2 Rep68 in complex with ssDNA reveals a malleable AAA+ machine that can switch between oligomeric states.
Nucleic Acids Res., 48, 2020

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PDB entries from 2024-11-06

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