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7JX1
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BU of 7jx1 by Molmil
E. coli TSase complex with a bi-substrate reaction intermediate analog
Descriptor: (2S)-2-({4-[({(6R)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name), N-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-L-glutamic acid, PHOSPHATE ION, ...
Authors:Finer-Moore, J, Kholodar, S.A, Stroud, R.M, Kohen, A.
Deposit date:2020-08-26
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog.
Biochemistry, 60, 2021
7JXF
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BU of 7jxf by Molmil
E. coli TSase complex with a bi-substrate reaction intermediate diastereomer analog
Descriptor: (2S)-2-({4-[({(6S)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name), 5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE, N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid, ...
Authors:Finer-Moore, J, Kholodar, S.A, Stroud, R.M, Kohen, A, Moliner, V, Swiderek, K.
Deposit date:2020-08-27
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog.
Biochemistry, 60, 2021
4OOF
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BU of 4oof by Molmil
M. tuberculosis 1-deoxy-d-xylulose-5-phosphate reductoisomerase W203F mutant bound to fosmidomycin and NADPH
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ...
Authors:Allen, C.L, Kholodar, S.A, Murkin, A.S, Gulick, A.M.
Deposit date:2014-01-31
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Alteration of the Flexible Loop in 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase Boosts Enthalpy-Driven Inhibition by Fosmidomycin.
Biochemistry, 53, 2014
4OOE
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BU of 4ooe by Molmil
M. tuberculosis 1-deoxy-d-xylulose-5-phosphate reductoisomerase W203Y mutant bound to fosmidomycin and NADPH
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ...
Authors:Allen, C.L, Kholodar, S.A, Murkin, A.S, Gulick, A.M.
Deposit date:2014-01-31
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.826 Å)
Cite:Alteration of the Flexible Loop in 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase Boosts Enthalpy-Driven Inhibition by Fosmidomycin.
Biochemistry, 53, 2014
4RCV
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BU of 4rcv by Molmil
M. tuberculosis 1-deoxy-d-xylulose-5-phosphate reductoisomerase bound to 1-deoxy-L-erythrulose
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 1-deoxy-L-erythrulose, MANGANESE (II) ION, ...
Authors:Gulick, A.M, Allen, C.L, Kholodar, S.A, Murkin, A.S.
Deposit date:2014-09-17
Release date:2015-03-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:The role of phosphate in a multistep enzymatic reaction: reactions of the substrate and intermediate in pieces.
J.Am.Chem.Soc., 137, 2015
6DDA
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BU of 6dda by Molmil
Nurr1 Covalently Modified by a Dopamine Metabolite
Descriptor: 5-hydroxy-1,2-dihydro-6H-indol-6-one, BROMIDE ION, Nuclear receptor subfamily 4 group A member 2, ...
Authors:Bruning, J.M, Wang, Y, Otrabella, F, Boxue, T, Liu, H, Bhattacharya, P, Guo, S, Holton, J.M, Fletterick, R.J, Jacobson, M.P, England, P.M.
Deposit date:2018-05-09
Release date:2019-03-20
Last modified:2019-11-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Covalent Modification and Regulation of the Nuclear Receptor Nurr1 by a Dopamine Metabolite.
Cell Chem Biol, 26, 2019

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