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6YVB
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BU of 6yvb by Molmil
Arabidopsis aspartate transcarbamoylase complex with carbamoyl phosphate
Descriptor: ACETATE ION, GLYCEROL, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ...
Authors:Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
Deposit date:2020-04-28
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.826 Å)
Cite:Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
6YY1
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BU of 6yy1 by Molmil
Arabidopsis aspartate transcarbamoylase in apo state
Descriptor: GLYCEROL, PYRB
Authors:Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
Deposit date:2020-05-04
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
6YWJ
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BU of 6ywj by Molmil
Arabidopsis aspartate transcarbamoylase mutant F161A complex with UMP
Descriptor: GLYCEROL, PYRB, URIDINE-5'-MONOPHOSPHATE
Authors:Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
Deposit date:2020-04-29
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
8BPS
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BU of 8bps by Molmil
Aspartate transcarbamoylase mutant (N2045C, R2238C) from Chaetomium thermophilum CAD-like in apo form
Descriptor: Carbamoyl-phosphate synthase (glutamine-hydrolyzing), GLYCEROL
Authors:del Cano-Ochoa, F, Ramon-Maiques, S.
Deposit date:2022-11-25
Release date:2023-02-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A Tailored Strategy to Crosslink the Aspartate Transcarbamoylase Domain of the Multienzymatic Protein CAD.
Molecules, 28, 2023
8BPL
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BU of 8bpl by Molmil
Aspartate transcarbamoylase mutant (N2045C, R2238C) from Chaetomium thermophilum CAD-like bound to carbamoyl phosphate
Descriptor: Carbamoyl-phosphate synthase (glutamine-hydrolyzing), GLYCEROL, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ...
Authors:del Cano-Ochoa, F, Ramon-Maiques, S.
Deposit date:2022-11-16
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A Tailored Strategy to Crosslink the Aspartate Transcarbamoylase Domain of the Multienzymatic Protein CAD.
Molecules, 28, 2023
5UY8
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BU of 5uy8 by Molmil
Crystal structure of AICARFT bound to an antifolate
Descriptor: 5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, ...
Authors:Wang, J, Wang, Y, Fales, K.R, Atwell, S, Clawson, D.
Deposit date:2017-02-23
Release date:2018-01-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.
J. Med. Chem., 60, 2017
5UZ0
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BU of 5uz0 by Molmil
Crystal structure of AICARFT bound to an antifolate
Descriptor: AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, MAGNESIUM ION, ...
Authors:Atwell, S, Wang, Y, Fales, K.R, Clawson, D, Wang, J.
Deposit date:2017-02-24
Release date:2018-01-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.
J. Med. Chem., 60, 2017
8T62
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BU of 8t62 by Molmil
Solution NMR structure of designed peptide BH21 (TMIEDPEAGHFHTSSA)
Descriptor: Designed peptide BH21
Authors:McShan, A.C, Torres, M.P.
Deposit date:2023-06-15
Release date:2023-06-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8T61
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BU of 8t61 by Molmil
Solution NMR structure of designed peptide BH33 (RHYYKFNSTGRHYHYY)
Descriptor: Designed peptide BH33
Authors:McShan, A.C, Torres, M.P.
Deposit date:2023-06-15
Release date:2023-06-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8T63
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BU of 8t63 by Molmil
Solution NMR structure of designed peptide PH1 (WHMWNTVPNAKQVIAA)
Descriptor: Designed peptide PH1
Authors:McShan, A.C, Torres, M.P.
Deposit date:2023-06-15
Release date:2023-06-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
6CTY
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BU of 6cty by Molmil
Crystal structure of dihydroorotase pyrC from Yersinia pestis in complex with zinc and malate at 2.4 A resolution
Descriptor: D-MALATE, Dihydroorotase, ZINC ION
Authors:Lipowska, J, Shabalin, I.G, Winsor, J, Woinska, M, Cooper, D.R, Kwon, K, Shuvalova, L, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-03-23
Release date:2018-04-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Pyrimidine biosynthesis in pathogens - Structures and analysis of dihydroorotases from Yersinia pestis and Vibrio cholerae.
Int.J.Biol.Macromol., 136, 2019
6KJ8
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BU of 6kj8 by Molmil
E. coli ATCase holoenzyme mutant - G166P (catalytic chain)
Descriptor: Aspartate carbamoyltransferase catalytic subunit, Aspartate carbamoyltransferase regulatory chain, ZINC ION
Authors:Lei, Z, Zheng, J, Jia, Z.C.
Deposit date:2019-07-22
Release date:2020-03-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.011 Å)
Cite:New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development.
Febs J., 287, 2020
6KJA
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BU of 6kja by Molmil
E. coli ATCase holoenzyme mutant - G128/130A (catalytic chain)
Descriptor: Aspartate carbamoyltransferase catalytic subunit, Aspartate carbamoyltransferase regulatory chain, ZINC ION
Authors:Lei, Z, Zheng, J, Jia, Z.C.
Deposit date:2019-07-22
Release date:2020-03-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.064 Å)
Cite:New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development.
Febs J., 287, 2020
8TXS
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BU of 8txs by Molmil
Solution NMR structure of designed peptide BH26 (RGVTVPHNGESKDYSV)
Descriptor: BH26 peptide
Authors:McShan, A.C, Torres, M.P.
Deposit date:2023-08-24
Release date:2023-09-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
6KJ9
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BU of 6kj9 by Molmil
E. coli ATCase catalytic subunit mutant - G128/130A
Descriptor: Aspartate carbamoyltransferase catalytic subunit
Authors:Lei, Z, Zheng, J, Jia, Z.C.
Deposit date:2019-07-22
Release date:2020-03-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development.
Febs J., 287, 2020
6KJ7
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BU of 6kj7 by Molmil
E. coli ATCase catalytic subunit mutant - G166P
Descriptor: Aspartate carbamoyltransferase catalytic subunit
Authors:Lei, Z, Zheng, J, Jia, Z.
Deposit date:2019-07-21
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.839 Å)
Cite:New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development.
Febs J., 287, 2020
4HXT
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BU of 4hxt by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR329
Descriptor: De Novo Protein OR329
Authors:Vorobiev, S, Su, M, Parmeggiani, F, Seetharaman, J, Huang, P.-S, Maglaqui, M, Xiao, X, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-11-12
Release date:2012-11-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Computational design of self-assembling cyclic protein homo-oligomers.
NAT.CHEM., 9, 2017
6FMD
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BU of 6fmd by Molmil
Targeting myeloid differentiation using potent human dihydroorotate dehydrogenase (hDHODH) inhibitors based on 2-hydroxypyrazolo[1,5-a]pyridine scaffold
Descriptor: 2-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide, ACETATE ION, CHLORIDE ION, ...
Authors:Goyal, P, Jarva, M, Andersson, M, Lolli, M.L, Friemann, R.
Deposit date:2018-01-30
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Targeting Myeloid Differentiation Using Potent 2-Hydroxypyrazolo[1,5- a]pyridine Scaffold-Based Human Dihydroorotate Dehydrogenase Inhibitors.
J. Med. Chem., 61, 2018
5D33
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BU of 5d33 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 12 round 7
Descriptor: de novo kemp eliminase KE07 round 7
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 12 round 7
To Be Published
5D37
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BU of 5d37 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 16 round 7
Descriptor: De novo kemp eliminase KE07 round 7
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 16 round 7
To Be Published
5D2Y
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BU of 5d2y by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 7 Round 5
Descriptor: De novo designed kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 7 Round 5
To Be Published
5D32
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BU of 5d32 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 11 round 6
Descriptor: De novo kemp eliminase KE07 round 6
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 11 round 6
To Be Published
5D30
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BU of 5d30 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 9 Round 5
Descriptor: De novo kemp eliminase KE07 round 5
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 9 Round 5
To Be Published
5D38
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BU of 5d38 by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 17 round 7-2
Descriptor: De novo kemp eliminase KE07 round 7-2
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.427 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 17 round 7-2
To Be Published
5D2V
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BU of 5d2v by Molmil
Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 4 Wild Type
Descriptor: De novo designed kemp eliminase KE07
Authors:Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:2015-08-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 Wild Type
To Be Published

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