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6FBO
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BU of 6fbo by Molmil
Human Methionine Adenosyltransferase II mutant (S114A) in I222 crystal form
Descriptor: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, ADENOSINE, ...
Authors:Panmanee, J, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2017-12-19
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds.
Febs J., 286, 2019
6FCD
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BU of 6fcd by Molmil
Human Methionine Adenosyltransferase II mutant (R264A)
Descriptor: 1,2-ETHANEDIOL, ADENOSINE, DI(HYDROXYETHYL)ETHER, ...
Authors:Panmanee, J, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2017-12-20
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds.
Febs J., 286, 2019
6FWB
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BU of 6fwb by Molmil
Crystal structure of Mat2A at 1.79 Angstron resolution
Descriptor: GLYCEROL, S-adenosylmethionine synthase isoform type-2, SODIUM ION, ...
Authors:Zhou, A, Wei, Z, Bai, J, Wang, H.
Deposit date:2018-03-06
Release date:2019-03-27
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Identification of a natural inhibitor of methionine adenosyltransferase 2A regulating one-carbon metabolism in keratinocytes.
Ebiomedicine, 39, 2019
1O90
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BU of 1o90 by Molmil
Methionine Adenosyltransferase complexed with a L-methionine analogue
Descriptor: (2S,4S)-2-AMINO-4,5-EPOXIPENTANOIC ACID, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Gonzalez, B, Pajares, M.A, Hermoso, J.A, Sanz-Aparicio, J.
Deposit date:2002-12-10
Release date:2003-08-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structures of Methionine Adenosyltransferase Complexed with Substrates and Products Reveal the Methionine-ATP Recognition and Give Insights Into the Catalytic Mechanism
J.Mol.Biol., 331, 2003
1O92
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BU of 1o92 by Molmil
Methionine Adenosyltransferase complexed with ADP and a L-methionine analogue
Descriptor: ADENOSINE-5'-DIPHOSPHATE, L-2-AMINO-4-METHOXY-CIS-BUT-3-ENOIC ACID, MAGNESIUM ION, ...
Authors:Gonzalez, B, Pajares, M.A, Hermoso, J.A, Sanz-Aparicio, J.
Deposit date:2002-12-10
Release date:2003-08-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Crystal Structures of Methionine Adenosyltransferase Complexed with Substrates and Products Reveal the Methionine-ATP Recognition and Give Insights Into the Catalytic Mechanism
J.Mol.Biol., 331, 2003
1O9T
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BU of 1o9t by Molmil
Methionine adenosyltransferase complexed with both substrates ATP and methionine
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, METHIONINE, ...
Authors:Gonzalez, B, Pajares, M.A, Hermoso, J.A, Sanz-Aparicio, J.
Deposit date:2002-12-18
Release date:2003-08-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of Methionine Adenosyltransferase Complexed with Substrates and Products Reveal the Methionine-ATP Recognition and Give Insights Into the Catalytic Mechanism
J.Mol.Biol., 331, 2003
1O93
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BU of 1o93 by Molmil
Methionine Adenosyltransferase complexed with ATP and a L-methionine analogue
Descriptor: (2S,4S)-2-AMINO-4,5-EPOXIPENTANOIC ACID, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Gonzalez, B, Pajares, M.A, Hermoso, J.A, Sanz-Aparicio, J.
Deposit date:2002-12-10
Release date:2003-08-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Crystal Structures of Methionine Adenosyltransferase Complexed with Substrates and Products Reveal the Methionine-ATP Recognition and Give Insights Into the Catalytic Mechanism
J.Mol.Biol., 331, 2003
6G6R
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BU of 6g6r by Molmil
Human Methionine Adenosyltransferase II with SAMe and PPNP
Descriptor: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Panmanee, J, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2018-04-02
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds.
Febs J., 286, 2019
8OOG
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BU of 8oog by Molmil
Crystal structure of human MAT2a with S-Adenosylmethionine and a fragment bound in a novel pocket
Descriptor: 6-oxidanyl-1,3-benzoxathiol-2-one, DIMETHYL SULFOXIDE, S-ADENOSYLMETHIONINE, ...
Authors:Schimpl, M.
Deposit date:2023-04-05
Release date:2023-07-12
Method:X-RAY DIFFRACTION (1.384 Å)
Cite:Combining structural and coevolution information to unveil allosteric sites.
Chem Sci, 14, 2023
8P1V
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BU of 8p1v by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric compound 2
Descriptor: 1,2-ETHANEDIOL, 6-cyclopropyl-~{N}-(2-methylindazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide, CHLORIDE ION, ...
Authors:Thomsen, M, Thieulin-Pardo, G, Neumann, L.
Deposit date:2023-05-12
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
8P1W
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BU of 8p1w by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with allosteric compound STL232591
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidanyl-[1]benzofuro[3,2-c]pyridine, ...
Authors:Thomsen, M, Thieulin-Pardo, G, Neumann, L.
Deposit date:2023-05-12
Release date:2023-08-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
8P4H
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BU of 8p4h by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric compound IDEAYA cmpd A
Descriptor: 7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one, CHLORIDE ION, GLYCEROL, ...
Authors:Thomsen, M, Thieulin-Pardo, G, Neumann, L.
Deposit date:2023-05-21
Release date:2023-08-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
8P1T
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BU of 8p1t by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Z237451470
Descriptor: 1,2-ETHANEDIOL, 6-cyclopropyl-~{N}-(1~{H}-indazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide, CHLORIDE ION, ...
Authors:Thomsen, M, Thieulin-Pardo, G, Neumann, L.
Deposit date:2023-05-12
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.442 Å)
Cite:Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
8QE2
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BU of 8qe2 by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 21
Descriptor: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
Authors:Schimpl, M.
Deposit date:2023-08-30
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.109 Å)
Cite:Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QE0
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BU of 8qe0 by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 12
Descriptor: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
Authors:Schimpl, M.
Deposit date:2023-08-30
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QDZ
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BU of 8qdz by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 11
Descriptor: 3-cyclopropyl-4-(4-methoxyphenyl)-5-oxidanyl-pyrazolo[4,3-c]pyridine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
Authors:Schimpl, M.
Deposit date:2023-08-30
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QE1
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BU of 8qe1 by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 15
Descriptor: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(4-methoxyphenyl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
Authors:Schimpl, M.
Deposit date:2023-08-30
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.095 Å)
Cite:Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QE3
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BU of 8qe3 by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 31
Descriptor: 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methylpyridin-3-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
Authors:Schimpl, M.
Deposit date:2023-08-30
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.089 Å)
Cite:Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QDY
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BU of 8qdy by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 8
Descriptor: 3-cyclopropyl-4-(4-methoxyphenyl)-1~{H}-pyrazolo[4,3-c]pyridine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
Authors:Schimpl, M.
Deposit date:2023-08-30
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8SWA
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BU of 8swa by Molmil
Crystal structure of the human S-adenosylmethionine synthetase 1 in complex with SAM and PPNP
Descriptor: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Bruemmer, K.J, Pham, V.N, Toh, J.D.W.
Deposit date:2023-05-18
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Formaldehyde regulates S -adenosylmethionine biosynthesis and one-carbon metabolism.
Science, 382, 2023
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