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6D4U
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BU of 6d4u by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 27 (VCC663664)
Descriptor: 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4W
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BU of 6d4w by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 35 (VCC620637)
Descriptor: 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4T
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BU of 6d4t by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 45 (VCC117054)
Descriptor: (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4S
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BU of 6d4s by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 37 (VCC670597)
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6D4Q
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BU of 6d4q by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 14 (VCC900455)
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
6RPU
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BU of 6rpu by Molmil
Structure of the ternary complex of the IMPDH enzyme from Ashbya gossypii bound to the dinucleoside polyphosphate Ap5G and GDP
Descriptor: ACETATE ION, GUANOSINE-5'-DIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, ...
Authors:Buey, R.M, Fernandez-Justel, D, Revuelta, J.L.
Deposit date:2019-05-14
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The Bateman domain of IMP dehydrogenase is a binding target for dinucleoside polyphosphates.
J.Biol.Chem., 294, 2019
6KCF
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BU of 6kcf by Molmil
Structure of Inosine 5'-monophosphate Dehydrogenase from Candidatus Liberibacter asiaticus str. psy62
Descriptor: Inosine-5'-monophosphate dehydrogenase
Authors:Nan, J, Zhang, S.R, Jiang, L.
Deposit date:2019-06-28
Release date:2019-08-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Evaluation of Bronopol and Disulfiram as Potential Candidatus Liberibacter asiaticus Inosine 5'-Monophosphate Dehydrogenase Inhibitors by Using Molecular Docking and Enzyme Kinetic.
Molecules, 25, 2020
6MJY
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BU of 6mjy by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with 6Cl-IMP
Descriptor: 6-CHLOROPURINE RIBOSIDE, 5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase
Authors:Ascher, D.B, Pacitto, A, Blundell, T.L.
Deposit date:2018-09-23
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Covalent inactivation of Mycobacterium thermoresistibile inosine-5'-monophosphate dehydrogenase (IMPDH).
Bioorg.Med.Chem.Lett., 30, 2020
6RFU
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BU of 6rfu by Molmil
In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of ATP and GMP as genuine co-factors
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase
Authors:Nass, K, Redecke, L, Perbandt, M, Yefanov, O, Gabdulkhakov, A, Duszenko, M, Chapman, H.N, Betzel, C.
Deposit date:2019-04-16
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of genuine co-factors.
Nat Commun, 11, 2020
6JIG
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BU of 6jig by Molmil
Crystal structure of GMP reductase C318A from Trypanosoma brucei in complex with guanosine 5'-monophosphate
Descriptor: GMP reductase, GUANOSINE-5'-MONOPHOSPHATE, POTASSIUM ION
Authors:Mase, H, Imamura, A, Nishimura, S, Inui, T.
Deposit date:2019-02-21
Release date:2020-02-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Allosteric regulation accompanied by oligomeric state changes of Trypanosoma brucei GMP reductase through cystathionine-beta-synthase domain.
Nat Commun, 11, 2020
6JL8
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BU of 6jl8 by Molmil
Crystal structure of GMP reductase C318A from Trypanosoma brucei
Descriptor: GMP reductase
Authors:Mase, H, Imamura, A, Nishimura, S, Inui, T.
Deposit date:2019-03-04
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.804 Å)
Cite:Allosteric regulation accompanied by oligomeric state changes of Trypanosoma brucei GMP reductase through cystathionine-beta-synthase domain.
Nat Commun, 11, 2020
6LK4
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BU of 6lk4 by Molmil
Crystal structure of GMP reductase from Trypanosoma brucei in complex with guanosine 5'-triphosphate
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Guanosine 5'-monophosphate Reductase, PHOSPHATE ION
Authors:Mase, H, Otani, T, Imamura, A, Nishimura, S, Inui, T.
Deposit date:2019-12-18
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Allosteric regulation accompanied by oligomeric state changes of Trypanosoma brucei GMP reductase through cystathionine-beta-synthase domain.
Nat Commun, 11, 2020
6UDQ
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BU of 6udq by Molmil
Human IMPDH2 treated with ATP, IMP, and 20 mM GTP. Fully compressed filament end reconstruction.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
Authors:Johnson, M.C, Kollman, J.M.
Deposit date:2019-09-19
Release date:2020-03-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
6U8E
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BU of 6u8e by Molmil
Human IMPDH2 treated with ATP, IMP, and NAD+. Filament assembly interface reconstruction.
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Johnson, M.C, Kollman, J.M.
Deposit date:2019-09-04
Release date:2020-03-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
6UDO
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BU of 6udo by Molmil
Human IMPDH2 treated with ATP, IMP, and 20 mM GTP. Fully compressed filament segment reconstruction.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
Authors:Johnson, M.C, Kollman, J.M.
Deposit date:2019-09-19
Release date:2020-03-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
6UDP
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BU of 6udp by Molmil
Human IMPDH2 treated with ATP, IMP, and 20 mM GTP. Filament assembly interface reconstruction.
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2
Authors:Johnson, M.C, Kollman, J.M.
Deposit date:2019-09-19
Release date:2020-03-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
6UA4
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BU of 6ua4 by Molmil
Human IMPDH2 treated with ATP, IMP, NAD+, and 2 mM GTP. Bent (3/4 compressed, 1/4 extended) segment reconstruction.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
Authors:Johnson, M.C, Kollman, J.M.
Deposit date:2019-09-10
Release date:2020-03-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
6U8R
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BU of 6u8r by Molmil
Human IMPDH2 treated with ATP, IMP, and NAD+. Bent (1/4 compressed, 3/4 extended) segment reconstruction.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ...
Authors:Johnson, M.C, Kollman, J.M.
Deposit date:2019-09-05
Release date:2020-03-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
6U9O
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BU of 6u9o by Molmil
Human IMPDH2 treated with ATP, IMP, NAD+, and 2 mM GTP. Fully compressed filament segment reconstruction.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
Authors:Johnson, M.C, Kollman, J.M.
Deposit date:2019-09-09
Release date:2020-03-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
6UA5
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BU of 6ua5 by Molmil
Human IMPDH2 treated with ATP, IMP, NAD+, and 2 mM GTP. Free interfacial octamer reconstruction.
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Johnson, M.C, Kollman, J.M.
Deposit date:2019-09-10
Release date:2020-03-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.79 Å)
Cite:Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
6U8S
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BU of 6u8s by Molmil
Human IMPDH2 treated with ATP, IMP, NAD+, and 2 mM GTP. Filament assembly interface reconstruction.
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Johnson, M.C, Kollman, J.M.
Deposit date:2019-09-05
Release date:2020-03-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
6UA2
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BU of 6ua2 by Molmil
Human IMPDH2 treated with ATP, IMP, NAD+, and 2 mM GTP. Bent (2/4 compressed, 2/4 extended) segment reconstruction.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
Authors:Johnson, M.C, Kollman, J.M.
Deposit date:2019-09-10
Release date:2020-03-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
6UAJ
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BU of 6uaj by Molmil
Human IMPDH2 treated with ATP, IMP, NAD+, and 2 mM GTP. Free canonical octamer reconstruction.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
Authors:Johnson, M.C, Kollman, J.M.
Deposit date:2019-09-10
Release date:2020-03-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
6UC2
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BU of 6uc2 by Molmil
Human IMPDH2 treated with ATP and 2 mM GTP. Free canonical octamer reconstruction.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase 2
Authors:Johnson, M.C, Kollman, J.M.
Deposit date:2019-09-13
Release date:2020-03-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.48 Å)
Cite:Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
6U8N
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BU of 6u8n by Molmil
Human IMPDH2 treated with ATP, IMP, and NAD+. Fully extended filament segment reconstruction.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ...
Authors:Johnson, M.C, Kollman, J.M.
Deposit date:2019-09-05
Release date:2020-03-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020

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数据于2024-04-24公开中

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