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7RUU
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BU of 7ruu by Molmil
Structure of Human ATP:Cobalamin Adenosyltransferase R190C bound to adenosylcobalamin
分子名称: 5'-DEOXYADENOSINE, ACETATE ION, COBALAMIN, ...
著者Mascarenhas, R, Gouda, H, Koutmos, M, Banerjee, R.
登録日2021-08-18
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Patient mutations in human ATP:cob(I)alamin adenosyltransferase differentially affect its catalytic versus chaperone functions.
J.Biol.Chem., 297, 2021
7RUT
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BU of 7rut by Molmil
Structure of Human ATP:Cobalamin Adenosyltransferase R190C bound to ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Corrinoid adenosyltransferase, GLYCEROL, ...
著者Mascarenhas, R, Gouda, H, Koutmos, M, Banerjee, R.
登録日2021-08-18
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Patient mutations in human ATP:cob(I)alamin adenosyltransferase differentially affect its catalytic versus chaperone functions.
J.Biol.Chem., 297, 2021
7RUV
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BU of 7ruv by Molmil
Structure of Human ATP:Cobalamin Adenosyltransferase E193K bound to adenosylcobalamin
分子名称: 5'-DEOXYADENOSINE, COBALAMIN, Corrinoid adenosyltransferase, ...
著者Mascarenhas, R, Gouda, H, Koutmos, M, Banerjee, R.
登録日2021-08-18
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Patient mutations in human ATP:cob(I)alamin adenosyltransferase differentially affect its catalytic versus chaperone functions.
J.Biol.Chem., 297, 2021
6B6G
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BU of 6b6g by Molmil
Crystal Structure of GABA Aminotransferase bound to (S)-3-Amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic acid, an Potent Inactivatorfor the Treatment of Addiction
分子名称: (3R,4E)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopent-1-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ...
著者Mascarenhas, R, Juncosa, J.I, Takaya, K, Le, L.V, Moschitto, M.J, Silverman, R.B, Liu, D.
登録日2017-10-02
公開日2018-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design and Mechanism of (S)-3-Amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic Acid, a Highly Potent gamma-Aminobutyric Acid Aminotransferase Inactivator for the Treatment of Addiction.
J. Am. Chem. Soc., 140, 2018
6M8H
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BU of 6m8h by Molmil
Crystal Structure of the R208Q mutant of G(i) subunit alpha-1
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION
著者Mascarenhas, R, Goossens, J, Leverson, B, Kothawala, S, Ballicora, M, Olsen, K, de freitas, D, Liu, D.
登録日2018-08-21
公開日2019-08-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献FUNCTIONAL CONSEQUENCES OF ONCOGENIC MUTATIONS IN THE SWITCH II REGION OF Galphai1 and Galphas PROTEINS
To Be Published
8QAG
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BU of 8qag by Molmil
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 6 inner helices, sc-CC-6-95
分子名称: DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, sc-CC-6-95
著者Petrenas, R, Albanese, K.I, Woolfson, D.N.
登録日2023-08-22
公開日2024-07-03
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
8QAH
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BU of 8qah by Molmil
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 8 inner helices, sc-CC-8-58
分子名称: sc-CC-8-58
著者Petrenas, R, Albanese, K.I, Woolfson, D.N.
登録日2023-08-22
公開日2024-07-03
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
6EU5
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BU of 6eu5 by Molmil
Leishmania major N-myristoyltransferase with bound myristoyl-CoA and inhibitor
分子名称: 4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA
著者Brenk, R, Kehrein, J, Kersten, C.
登録日2017-10-27
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.496083 Å)
主引用文献How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System.
J.Med.Chem., 2019
6F56
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BU of 6f56 by Molmil
Mutant of Human N-myristoyltransferase with bound myristoyl-CoA
分子名称: GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, MAGNESIUM ION, ...
著者Brenk, R, Kehrein, J, Kersten, C.
登録日2017-11-30
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.94019878 Å)
主引用文献How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System.
J.Med.Chem., 2019
5EH4
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BU of 5eh4 by Molmil
Crystal Structure of the Glycophorin A Transmembrane Dimer in Lipidic Cubic Phase
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Glycophorin-A
著者Call, M.J, Call, M.E, Trenker, R.
登録日2015-10-28
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Crystal Structure of the Glycophorin A Transmembrane Dimer in Lipidic Cubic Phase.
J.Am.Chem.Soc., 137, 2015
5EH6
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BU of 5eh6 by Molmil
Crystal Structure of the Glycophorin A Transmembrane Monomer in Lipidic Cubic Phase
分子名称: Glycophorin-A
著者Call, M.J, Call, M.E, Trenker, R.
登録日2015-10-28
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.918 Å)
主引用文献Crystal Structure of the Glycophorin A Transmembrane Dimer in Lipidic Cubic Phase.
J.Am.Chem.Soc., 137, 2015
8STW
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BU of 8stw by Molmil
K384N HUMAN CYSTATHIONINE BETA-SYNTHASE (delta 411-551)
分子名称: Cystathionine beta-synthase, K384N variant, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Mascarenhas, R, Roman, J, Banerjee, R.
登録日2023-05-11
公開日2023-11-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Disease-causing cystathionine beta-synthase linker mutations impair allosteric regulation.
J.Biol.Chem., 299, 2023
6D9F
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BU of 6d9f by Molmil
Protein 60 with aldehyde deformylating oxidase activity from Kitasatospora setae
分子名称: 1,2-ETHANEDIOL, FE (III) ION, Putative VlmB homolog, ...
著者Arenas, R, Wilson, D.K, Mak, W.S, Siegel, J.B.
登録日2018-04-28
公開日2019-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery, Design, and Structural Characterization of Alkane-Producing Enzymes across the Ferritin-like Superfamily.
Biochemistry, 59, 2020
5SN7
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BU of 5sn7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z32327641
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNL
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BU of 5snl by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2027049478
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SO2
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BU of 5so2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z31504642
分子名称: 2-methoxy-N-phenylacetamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SN5
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BU of 5sn5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434897
分子名称: 1-(2-phenylethyl)piperidine-4-carboxamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNH
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BU of 5snh by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z198194394
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-(4-fluorophenyl)piperazine-1-carboxamide, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNT
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BU of 5snt by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z30820160
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(4-methyl-1,3-thiazol-2-yl)propanamide, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SOC
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BU of 5soc by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1530301542
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole, DIMETHYL SULFOXIDE, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNF
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BU of 5snf by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z87615031
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-[4-(2-amino-2-oxoethyl)phenyl]acetamide, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNM
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BU of 5snm by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z135439900
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNA
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BU of 5sna by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z30620520
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNP
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BU of 5snp by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z381729066
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(propan-2-yl)-1H-pyrazole-3-carboxamide, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNZ
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BU of 5snz by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z44567722
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Brenk, R, Georgiou, C.
登録日2022-05-30
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023

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件を2024-11-06に公開中

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