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2R7K
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BU of 2r7k by Molmil
Crystal structure of FAICAR synthetase (PurP) from M. jannaschii complexed with AMPPCP and AICAR
Descriptor: 5-formaminoimidazole-4-carboxamide-1-(beta)-D-ribofuranosyl 5'-monophosphate synthetase, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, CHLORIDE ION, ...
Authors:Zhang, Y, White, R.H, Ealick, S.E.
Deposit date:2007-09-09
Release date:2007-12-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii.
Biochemistry, 47, 2008
2R7M
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BU of 2r7m by Molmil
Crystal structure of FAICAR synthetase (PurP) from M. jannaschii complexed with AMP
Descriptor: 5-formaminoimidazole-4-carboxamide-1-(beta)-D-ribofuranosyl 5'-monophosphate synthetase, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Zhang, Y, White, R.H, Ealick, S.E.
Deposit date:2007-09-09
Release date:2007-12-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii.
Biochemistry, 47, 2008
8FO2
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BU of 8fo2 by Molmil
Cryo-EM structure of Rab29-LRRK2 complex in the LRRK2 monomer state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, ...
Authors:Zhu, H, Sun, J.
Deposit date:2022-12-29
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (4.13 Å)
Cite:Rab29-dependent asymmetrical activation of leucine-rich repeat kinase 2.
Science, 382, 2023
8FO8
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BU of 8fo8 by Molmil
Cryo-EM structure of Rab29-LRRK2 complex in the LRRK2 dimer state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, ...
Authors:Zhu, H, Sun, J.
Deposit date:2022-12-29
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Rab29-dependent asymmetrical activation of leucine-rich repeat kinase 2.
Science, 382, 2023
8FO9
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BU of 8fo9 by Molmil
Cryo-EM structure of Rab29-LRRK2 complex in the LRRK2 tetramer state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, ...
Authors:Zhu, H, Sun, J.
Deposit date:2022-12-30
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Rab29-dependent asymmetrical activation of leucine-rich repeat kinase 2.
Science, 382, 2023
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
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.384 Å)
Cite:Combining structural and coevolution information to unveil allosteric sites.
Chem Sci, 14, 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
7KCE
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BU of 7kce by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 2
Descriptor: 5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one, CHLORIDE ION, S-ADENOSYLMETHIONINE, ...
Authors:Padyana, A, Jin, L.
Deposit date:2020-10-05
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion.
J.Med.Chem., 64, 2021
6P9V
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BU of 6p9v by Molmil
Crystal Structure of hMAT Mutant K289L
Descriptor: ADENOSINE, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Miller, M.D, Xu, W, Huber, T.D, Clinger, J.A, Liu, Y, Thorson, J.S, Phillips Jr, G.N.
Deposit date:2019-06-10
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:Methionine Adenosyltransferase Engineering to Enable Bioorthogonal Platforms for AdoMet-Utilizing Enzymes.
Acs Chem.Biol., 15, 2020
4WSE
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BU of 4wse by Molmil
Crystal structure of the Mimivirus polyadenylate synthase
Descriptor: Putative poly(A) polymerase catalytic subunit
Authors:Priet, S, Lartigue, A, Claverie, J.M, Abergel, C.
Deposit date:2014-10-27
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:mRNA maturation in giant viruses: variation on a theme.
Nucleic Acids Res., 43, 2015
3SZG
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BU of 3szg by Molmil
Crystal structure of C176A glutamine-dependent NAD+ synthetase from M. tuberculosis bound to AMP/PPi and NaAD+
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, Glutamine-dependent NAD(+) synthetase, ...
Authors:Chuenchor, W, Doukov, T, Gerratana, B.
Deposit date:2011-07-19
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Regulation of the intersubunit ammonia tunnel in Mycobacterium tuberculosis glutamine-dependent NAD+ synthetase.
Biochem.J., 443, 2012
3SYT
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BU of 3syt by Molmil
Crystal structure of glutamine-dependent NAD+ synthetase from M. tuberculosis bound to AMP/PPi, NAD+, and glutamate
Descriptor: ADENOSINE MONOPHOSPHATE, GLUTAMIC ACID, GLYCEROL, ...
Authors:Chuenchor, W, Gerratana, B.
Deposit date:2011-07-18
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6511 Å)
Cite:Regulation of the intersubunit ammonia tunnel in Mycobacterium tuberculosis glutamine-dependent NAD+ synthetase.
Biochem.J., 443, 2012
3SDB
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BU of 3sdb by Molmil
Crystal structure of C176A mutant of glutamine-dependent NAD+ synthetase from M. tuberculosis in apo form
Descriptor: Glutamine-dependent NAD(+) synthetase
Authors:Chuenchor, W, Gerratana, B.
Deposit date:2011-06-09
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.0017 Å)
Cite:Regulation of the intersubunit ammonia tunnel in Mycobacterium tuberculosis glutamine-dependent NAD+ synthetase.
Biochem.J., 443, 2012
3SEQ
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BU of 3seq by Molmil
Crystal structure of C176A mutant of glutamine-dependent NAD+ synthetase from M. tuberculosis in complex with AMPCPP and NaAD+
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, GLYCEROL, Glutamine-dependent NAD(+) synthetase, ...
Authors:Chuenchor, W, Gerratana, B.
Deposit date:2011-06-10
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7342 Å)
Cite:Regulation of the intersubunit ammonia tunnel in Mycobacterium tuberculosis glutamine-dependent NAD+ synthetase.
Biochem.J., 443, 2012
1CVU
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BU of 1cvu by Molmil
CRYSTAL STRUCTURE OF ARACHIDONIC ACID BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARACHIDONIC ACID, ...
Authors:Kiefer, J.R, Pawlitz, J.L, Moreland, K.T, Stegeman, R.A, Gierse, J.K, Stevens, A.M, Goodwin, D.C, Rowlinson, S.W, Marnett, L.J, Stallings, W.C, Kurumbail, R.G.
Deposit date:1999-08-24
Release date:2000-05-16
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into the stereochemistry of the cyclooxygenase reaction.
Nature, 405, 2000
7KCF
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BU of 7kcf by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-24512
Descriptor: 1,2-ETHANEDIOL, 6-(4-hydroxyphenyl)-5-methyl-2-phenyl-3-(piperidin-1-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one, GLYCEROL, ...
Authors:Padyana, A, Jin, L.
Deposit date:2020-10-05
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion.
J.Med.Chem., 64, 2021
7KDB
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BU of 7kdb by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 35
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-(4-hydroxyphenyl)-2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one, ...
Authors:Padyana, A, Jin, L.
Deposit date:2020-10-08
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion.
J.Med.Chem., 64, 2021
7KDA
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BU of 7kda by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor compound 34
Descriptor: 2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Padyana, A, Jin, L.
Deposit date:2020-10-08
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion.
J.Med.Chem., 64, 2021
7KCC
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BU of 7kcc by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AG-270
Descriptor: 1,2-ETHANEDIOL, 3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one, CHLORIDE ION, ...
Authors:Padyana, A, Jin, L.
Deposit date:2020-10-05
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion.
J.Med.Chem., 64, 2021
6JPV
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BU of 6jpv by Molmil
Structural analysis of AIMP2-DX2 and HSP70 interaction
Descriptor: Heat shock 70 kDa protein 1A,Aminoacyl tRNA synthase complex-interacting multifunctional protein 2
Authors:Cho, H.Y, Son, S.Y, Jeon, Y.H.
Deposit date:2019-03-28
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.15000653 Å)
Cite:Targeting the interaction of AIMP2-DX2 with HSP70 suppresses cancer development.
Nat.Chem.Biol., 16, 2020
5H9U
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BU of 5h9u by Molmil
Crystal structure of a thermostable methionine adenosyltransferase
Descriptor: S-adenosylmethionine synthase
Authors:Feng, Y, Wang, W.
Deposit date:2015-12-29
Release date:2017-01-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.667 Å)
Cite:Crystal structure of a thermostable methionine adenosyltransferase
To Be Published
7LNH
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BU of 7lnh by Molmil
S-adenosylmethionine synthetase co-crystallized with UppNHp
Descriptor: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-$l^{3}-sulfanyl]butanoic acid, 1,2-ETHANEDIOL, S-adenosylmethionine synthase isoform type-2
Authors:Tan, L.L, Jackson, C.J.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021
6K39
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BU of 6k39 by Molmil
Structural analysis of AIMP2-DX2 and HSP70 interaction
Descriptor: Heat shock 70 kDa protein 1A,Aminoacyl tRNA synthase complex-interacting multifunctional protein 2
Authors:Cho, H.Y, Son, S.Y, Jeon, Y.H.
Deposit date:2019-05-16
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3981427 Å)
Cite:Targeting the interaction of AIMP2-DX2 with HSP70 suppresses cancer development.
Nat.Chem.Biol., 16, 2020
7UZY
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BU of 7uzy by Molmil
Staphylococcus epidermidis RP62A CRISPR effector complex with non-self target RNA 2
Descriptor: CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm2, CRISPR system Cms protein Csm4, ...
Authors:Smith, E.M, Ferrell, S.H, Tokars, V.L, Mondragon, A.
Deposit date:2022-05-09
Release date:2022-07-06
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Structures of an active type III-A CRISPR effector complex.
Structure, 30, 2022
7V02
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BU of 7v02 by Molmil
Staphylococcus epidermidis RP62A CRISPR short effector complex
Descriptor: CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm2, CRISPR system Cms protein Csm4, ...
Authors:Smith, E.M, Ferrell, S.H, Tokars, V.L, Mondragon, A.
Deposit date:2022-05-09
Release date:2022-07-06
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (4.97 Å)
Cite:Structures of an active type III-A CRISPR effector complex.
Structure, 30, 2022

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