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4CHI
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BU of 4chi by Molmil
(R)-selective amine transaminase from Aspergillus fumigatus at 1.27 A resolution
分子名称: BRANCHED-CHAIN AMINO ACID AMINOTRANSFERASE, CHLORIDE ION, GLYCEROL, ...
著者Thomsen, M, Palm, G.J, Hinrichs, W.
登録日2013-12-02
公開日2014-04-30
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Crystallographic Characterization of the (R)-Selective Amine Transaminase from Aspergillus Fumigatus.
Acta Crystallogr.,Sect.D, 70, 2014
4C9T
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BU of 4c9t by Molmil
BACTERIAL CHALCONE ISOMERASE IN open CONFORMATION FROM EUBACTERIUM RAMULUS AT 2.0 A RESOLUTION, SelenoMet derivative
分子名称: CHALCONE ISOMERASE, CHLORIDE ION, GLYCEROL, ...
著者Thomsen, M, Palm, G.J, Hinrichs, W.
登録日2013-10-03
公開日2014-10-22
最終更新日2015-04-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure and Catalytic Mechanism of the Evolutionarily Unique Bacterial Chalcone Isomerase
Acta Crystallogr.,Sect.D, 71, 2015
4C9S
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BU of 4c9s by Molmil
BACTERIAL CHALCONE ISOMERASE IN open CONFORMATION FROM EUBACTERIUM RAMULUS AT 1.8 A RESOLUTION
分子名称: CHALCONE ISOMERASE, CHLORIDE ION, GLYCEROL, ...
著者Thomsen, M, Palm, G.J, Hinrichs, W.
登録日2013-10-03
公開日2014-10-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and Catalytic Mechanism of the Evolutionarily Unique Bacterial Chalcone Isomerase
Acta Crystallogr.,Sect.D, 71, 2015
4D06
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BU of 4d06 by Molmil
Bacterial chalcone isomerase complexed with naringenin
分子名称: (2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one, CHALCONE ISOMERASE, CHLORIDE ION, ...
著者Thomsen, M, Palm, G.J, Hinrichs, W.
登録日2014-04-24
公開日2015-04-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Catalytic Mechanism of the Evolutionarily Unique Bacterial Chalcone Isomerase
Acta Crystallogr.,Sect.D, 71, 2015
4UUG
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BU of 4uug by Molmil
The (R)-selective amine transaminase from Aspergillus fumigatus with inhibitor bound
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, ...
著者Thomsen, M, Hinrichs, W.
登録日2014-07-28
公開日2014-11-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Biochemical Characterization of the Dual Substrate Recognition of the (R)-Selective Amine Transaminase from Aspergillus Fumigatus
FEBS J., 282, 2015
4D4F
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BU of 4d4f by Molmil
Mutant P250A of bacterial chalcone isomerase from Eubacterium ramulus
分子名称: CHALCONE ISOMERASE, CHLORIDE ION, GLYCEROL
著者Thomsen, M, Kratzat, H, Hinrichs, W.
登録日2014-10-28
公開日2016-01-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structural Basis for (2 R ,3 R )-Taxifolin Binding and Reaction Products to the Bacterial Chalcone Isomerase of Eubacterium ramulus.
Molecules, 27, 2022
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
分子名称: 1,2-ETHANEDIOL, 6-cyclopropyl-~{N}-(2-methylindazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide, CHLORIDE ION, ...
著者Thomsen, M, Thieulin-Pardo, G, Neumann, L.
登録日2023-05-12
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidanyl-[1]benzofuro[3,2-c]pyridine, ...
著者Thomsen, M, Thieulin-Pardo, G, Neumann, L.
登録日2023-05-12
公開日2023-08-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 6-cyclopropyl-~{N}-(1~{H}-indazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide, CHLORIDE ION, ...
著者Thomsen, M, Thieulin-Pardo, G, Neumann, L.
登録日2023-05-12
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.442 Å)
主引用文献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
分子名称: 7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one, CHLORIDE ION, GLYCEROL, ...
著者Thomsen, M, Thieulin-Pardo, G, Neumann, L.
登録日2023-05-21
公開日2023-08-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
3ZPH
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BU of 3zph by Molmil
Bacterial chalcone isomerase in closed conformation from Eubacterium ramulus at 2.8 A resolution
分子名称: CHALCONE ISOMERASE, CHLORIDE ION, GLYCEROL
著者Thomsen, M, Palm, G.J, Hinrichs, W.
登録日2013-02-27
公開日2014-01-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Enzymatic conversion of flavonoids using bacterial chalcone isomerase and enoate reductase.
Angew.Chem.Int.Ed.Engl., 53, 2014
5LNL
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BU of 5lnl by Molmil
Crystal structure of Hsf 1608-1749 putative domain 1
分子名称: Hsf
著者Thomsen, M, Wright, J, Ridley, J, Goldman, A.
登録日2016-08-05
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献The crystal structure of PD1, a Haemophilus surface fibril domain.
Acta Crystallogr F Struct Biol Commun, 73, 2017
7OXL
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BU of 7oxl by Molmil
Crystal structure of human Spermine Oxidase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FAD-MDL72527 adduct, ...
著者Impagliazzo, A, Johannsson, S, Thomsen, M, Krapp, S.
登録日2021-06-22
公開日2022-07-13
最終更新日2022-08-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of human spermine oxidase in complex with a highly selective allosteric inhibitor.
Commun Biol, 5, 2022
7OY0
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BU of 7oy0 by Molmil
Structure of human Spermine Oxidase in complex with a highly selective allosteric inhibitor
分子名称: 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol, CHLORIDE ION, FAD-MDL72527 adduct, ...
著者Impagliazzo, A, Thomsen, M, Johannsson, S, Krapp, S.
登録日2021-06-23
公開日2022-07-13
最終更新日2022-08-17
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure of human spermine oxidase in complex with a highly selective allosteric inhibitor.
Commun Biol, 5, 2022
8OM9
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BU of 8om9 by Molmil
MutSbeta bound to (CAG)2 DNA (open form)
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-31
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献MutSbeta bound to (CAG)2 DNA (open form)
To Be Published
8OLX
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BU of 8olx by Molmil
MutSbeta bound to (CAG)2 DNA (canonical form)
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (25-MER), DNA mismatch repair protein Msh2, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-30
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献MutSbeta bound to (CAG)2 DNA (canonical form)
To Be Published
8OM5
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BU of 8om5 by Molmil
DNA-free open form of MutSbeta
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-31
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献DNA-free open form of MutSbeta
To Be Published
8OMA
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BU of 8oma by Molmil
MutSbeta bound to 61bp homoduplex DNA
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-31
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献MutSbeta bound to 61bp homoduplex DNA
To Be Published
8OMO
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BU of 8omo by Molmil
DNA-unbound MutSbeta-ATP complex (bent clamp form)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-31
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献DNA-unbound MutSbeta-ATP complex (bent clamp form)
To Be Published
8OMQ
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BU of 8omq by Molmil
DNA-unbound MutSbeta-ATP complex (straight clamp form)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ...
著者Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C.
登録日2023-03-31
公開日2023-05-24
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献DNA-unbound MutSbeta-ATP complex (straight clamp form)
To Be Published
8CPD
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BU of 8cpd by Molmil
Cryo-EM structure of CRaf dimer with 14:3:3
分子名称: 14-3-3 protein zeta isoform X1, RAF proto-oncogene serine/threonine-protein kinase
著者Dedden, D, Graedler, U, Schwarz, D, Thomsen, M, Leuthner, B, Schneider, E, Nitsche, J.
登録日2023-03-02
公開日2024-02-21
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Cryo-EM Structures of CRAF 2 /14-3-3 2 and CRAF 2 /14-3-3 2 /MEK1 2 Complexes.
J.Mol.Biol., 436, 2024
8CHA
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BU of 8cha by Molmil
Fc gamma RIIa 27W/131H variant ectodomain
分子名称: 1,2-DIMETHOXYETHANE, 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, 3,6,9,12,15,18-HEXAOXAICOSANE, ...
著者Foy, E.G, Thomsen, M, Goldman, A, Robinson, J.I.
登録日2023-02-07
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Fc gamma RIIa 27W/131H variant ectodomain
To Be Published
5ML9
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BU of 5ml9 by Molmil
Cocrystal structure of Fc gamma receptor IIIa interacting with Affimer F4, a specific binding protein which blocks IgG binding to the receptor.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Affimer F4 with specificity for Fc gamma receptor IIIa, CHLORIDE ION, ...
著者Robinson, J.I, Tomlinson, D.C, Baxter, E.W, Owen, R.L, Thomsen, M, Win, S.J, Nettleship, J.E, Tiede, C, Foster, R.J, Waterhouse, M.P, Harris, S.A, Owens, R.J, Fishwick, C.W.G, Goldman, A, McPherson, M.J, Morgan, A.W.
登録日2016-12-06
公開日2017-12-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Affimer proteins inhibit immune complex binding to Fc gamma RIIIa with high specificity through competitive and allosteric modes of action.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5MN2
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BU of 5mn2 by Molmil
Cocrystal structure of Fc gamma receptor IIIa interacting with Affimer G3, a specific binding protein which blocks IgG binding to the receptor.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Affimer G3, DI(HYDROXYETHYL)ETHER, ...
著者Robinson, J.I, Owen, R.L, Tomlinson, D.C, Baxter, E.W, Nettleship, J.E, Waterhouse, M.P, Harris, S.A, Owens, R.J, McPherson, M.J, Morgan, A.W, Tiede, C, Goldman, A, Thomsen, M.
登録日2016-12-12
公開日2017-12-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Affimer proteins inhibit immune complex binding to Fc gamma RIIIa with high specificity through competitive and allosteric modes of action.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8B7R
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BU of 8b7r by Molmil
Bacterial chalcone isomerase with taxifolin chalcone
分子名称: (Z)-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-1-[2,4,6-tris(oxidanyl)phenyl]prop-2-en-1-one, CHLORIDE ION, Chalcone isomerase, ...
著者Hinrichs, W, Palm, G.J.
登録日2022-10-02
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Basis for (2 R ,3 R )-Taxifolin Binding and Reaction Products to the Bacterial Chalcone Isomerase of Eubacterium ramulus .
Molecules, 27, 2022

 

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