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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
6YPO
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BU of 6ypo by Molmil
Arabidopsis aspartate transcarbamoylase bound to UMP
Descriptor: GLYCEROL, PYRB, URIDINE-5'-MONOPHOSPHATE
Authors:Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
Deposit date:2020-04-16
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
6YS6
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BU of 6ys6 by Molmil
Arabidopsis aspartate transcarbamoylase complex with PALA
Descriptor: GLYCEROL, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, PYRB, ...
Authors:Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
Deposit date:2020-04-21
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
6YSP
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BU of 6ysp by Molmil
Arabidopsis aspartate transcarbamoylase complex with PALA and carbamoyl phosphate
Descriptor: GLYCEROL, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ...
Authors:Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
Deposit date:2020-04-23
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
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
6YW9
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BU of 6yw9 by Molmil
Arabidopsis aspartate transcarbamoylase mutant F161A complex with PALA
Descriptor: GLYCEROL, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, PYRB
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 (1.68 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
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
7K46
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BU of 7k46 by Molmil
Crystal Structure of a putative aspartate carbamoyltransferase Leishmania major Friedlin
Descriptor: 1,2-ETHANEDIOL, Aspartate carbamoyltransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-14
Release date:2020-09-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of a putative aspartate carbamoyltransferase Leishmania major Friedlin
to be published
7NNF
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BU of 7nnf by Molmil
Crystal structure of Mycobacterium tuberculosis ArgF in apo form.
Descriptor: Ornithine carbamoyltransferase, PHOSPHATE ION
Authors:Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L.
Deposit date:2021-02-24
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NOS
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BU of 7nos by Molmil
Crystal structure of Mycobacterium tuberculosis ArgF in complex with 4-bromo-6-(trifluoromethyl)-1H-benzo[d]imidazole.
Descriptor: 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole, Ornithine carbamoyltransferase, PHOSPHATE ION
Authors:Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L.
Deposit date:2021-02-25
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NOU
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BU of 7nou by Molmil
Crystal structure of Mycobacterium tuberculosis ArgF in complex with (3,5-dichlorophenyl)boronic acid.
Descriptor: Ornithine carbamoyltransferase, PHOSPHATE ION, [3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron
Authors:Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L.
Deposit date:2021-02-25
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NNZ
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BU of 7nnz by Molmil
Crystal structure of Mycobacterium tuberculosis ArgF in complex with 5-methyl-4-phenylthiazol-2-amine.
Descriptor: 5-methyl-4-phenyl-1,3-thiazol-2-amine, Ornithine carbamoyltransferase, PHOSPHATE ION
Authors:Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L.
Deposit date:2021-02-25
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NNY
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BU of 7nny by Molmil
Crystal structure of Mycobacterium tuberculosis ArgF in complex with naphthalen-1-ol.
Descriptor: 1-NAPHTHOL, Ornithine carbamoyltransferase, PHOSPHATE ION
Authors:Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L.
Deposit date:2021-02-25
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NNV
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BU of 7nnv by Molmil
Crystal structure of Mycobacterium tuberculosis ArgF in complex with carbamoyl phosphate.
Descriptor: 1,2-ETHANEDIOL, Ornithine carbamoyltransferase, PHOSPHATE ION, ...
Authors:Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L.
Deposit date:2021-02-25
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NNW
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BU of 7nnw by Molmil
Crystal structure of Mycobacterium tuberculosis ArgF in complex with methyl 4-hydroxy-3-iodobenzoate.
Descriptor: Ornithine carbamoyltransferase, PHOSPHATE ION, methyl 3-iodanyl-4-oxidanyl-benzoate
Authors:Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L.
Deposit date:2021-02-25
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NOR
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BU of 7nor by Molmil
Crystal structure of Mycobacterium tuberculosis ArgF in complex with 2-fluoro-4-hydroxybenzonitrile.
Descriptor: 2-fluoro-4-hydroxybenzonitrile, Ornithine carbamoyltransferase, PHOSPHATE ION
Authors:Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L.
Deposit date:2021-02-25
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NOV
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BU of 7nov by Molmil
Crystal structure of Mycobacterium tuberculosis ArgF in complex with (4-methyl-3-nitrophenyl)boronic acid.
Descriptor: (4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron, Ornithine carbamoyltransferase, PHOSPHATE ION
Authors:Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L.
Deposit date:2021-02-26
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NP0
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BU of 7np0 by Molmil
Crystal structure of Mycobacterium tuberculosis ArgF in complex with (4-nitrophenyl)boronic acid.
Descriptor: Ornithine carbamoyltransferase, PHOSPHATE ION, p-nitrophenylboronic acid
Authors:Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L.
Deposit date:2021-02-26
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7TMD
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BU of 7tmd by Molmil
Crystal structure of Ornithine carbamoyltransferase from Klebsiella pneumoniae
Descriptor: BROMIDE ION, IODIDE ION, Ornithine carbamoyltransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-01-19
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of Ornithine carbamoyltransferase from Klebsiella pneumoniae
To be published
7ZCZ
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BU of 7zcz by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 1-(4-chlorophenyl)methanamine
Descriptor: 1-(4-CHLOROPHENYL)METHANAMINE, Aspartate carbamoyltransferase, SODIUM ION, ...
Authors:Wang, C, Zhang, B.
Deposit date:2022-03-29
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZEA
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BU of 7zea by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor O-benzylhydroxylamine
Descriptor: Aspartate carbamoyltransferase, O-benzylhydroxylamine, SODIUM ION, ...
Authors:Wang, C, Zhang, B.
Deposit date:2022-03-30
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.448 Å)
Cite:Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZGS
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BU of 7zgs by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 2-phenylethan-1-amine
Descriptor: 3-PHENYLPROPYLAMINE, Aspartate carbamoyltransferase, SODIUM ION, ...
Authors:Wang, C, Zhang, B.
Deposit date:2022-04-04
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZHI
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BU of 7zhi by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor indole
Descriptor: Aspartate carbamoyltransferase, INDOLE, SULFATE ION
Authors:Wang, C, Zhang, B.
Deposit date:2022-04-06
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.946 Å)
Cite:Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZID
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BU of 7zid by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-14
Descriptor: Aspartate carbamoyltransferase, GLYCEROL, SULFATE ION, ...
Authors:Wang, C, Zhang, B.
Deposit date:2022-04-07
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022

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