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4UQO
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BU of 4uqo by Molmil
RADA C-TERMINAL ATPASE DOMAIN FROM PYROCOCCUS FURIOSUS BOUND TO ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, MAGNESIUM ION, ...
著者Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2014-06-24
公開日2015-01-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides
FEBS Open Bio, 6, 2016
7ORZ
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BU of 7orz by Molmil
Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 18)
分子名称: 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Acebron-Garcia de Eulate, M, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C.
登録日2021-06-06
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
J.Med.Chem., 65, 2022
7OR2
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Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 4)
分子名称: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase
著者Acebron-Garcia de Eulate, M, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C.
登録日2021-06-04
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
J.Med.Chem., 65, 2022
7OSQ
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Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 18)
分子名称: 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase
著者Acebron-Garcia de Eulate, M, Mayol-Llinas, J, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C.
登録日2021-06-09
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
J.Med.Chem., 65, 2022
6TW4
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BU of 6tw4 by Molmil
HumRadA22F in complex with compound 6
分子名称: CALCIUM ION, DNA repair and recombination protein RadA, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide
著者Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
登録日2020-01-12
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
6TW9
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BU of 6tw9 by Molmil
HumRadA22F in complex with CAM833
分子名称: CALCIUM ION, DNA repair and recombination protein RadA, GLYCEROL, ...
著者Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
登録日2020-01-12
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
5EDT
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BU of 5edt by Molmil
Crystal structure of Mycobacterium tuberculosis CYP121 in complex with LIG9
分子名称: 2-azanyl-5-chloranyl-benzamide, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Kavanagh, M.E, Coyne, A.G, McLean, K.J, James, G.G, Levy, C, Marino, L.B, Carvalho, L.P.D, Chan, D.S.H, Hudson, S.A, Surade, S, Munro, A.W, Abell, C.
登録日2015-10-22
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
4E9D
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BU of 4e9d by Molmil
The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with 3-(1-benzothiophen-2-yl)propanoyl-derivatized DPPLHSpTA peptide
分子名称: 3-(1-benzothiophen-2-yl)propanoyl-derivatized DPPLHSpTA peptide, GLYCEROL, Serine/threonine-protein kinase PLK1
著者Sledz, P, Hyvonen, M, Lang, S, Stubbs, C.J, Abell, C.
登録日2012-03-21
公開日2012-10-10
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献High-throughput interrogation of ligand binding mode using a fluorescence-based assay.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EFK
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BU of 4efk by Molmil
Pantothenate synthetase in complex with N,N-DIMETHYLTHIOPHENE-3-SULFONAMIDE
分子名称: ETHANOL, GLYCEROL, IMIDAZOLE, ...
著者Ciulli, A, Silvestre, H.L, Blundell, T.L, Abell, C.
登録日2012-03-29
公開日2013-03-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
2FN0
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BU of 2fn0 by Molmil
Crystal structure of Yersinia enterocolitica salicylate synthase (Irp9)
分子名称: ACETATE ION, MAGNESIUM ION, PHOSPHATE ION, ...
著者Kerbarh, O, Chirgadze, D.Y, Blundell, T.L, Abell, C.
登録日2006-01-10
公開日2006-02-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structures of Yersinia enterocolitica Salicylate Synthase and its Complex with the Reaction Products Salicylate and Pyruvate.
J.Mol.Biol., 357, 2006
4WSE
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BU of 4wse by Molmil
Crystal structure of the Mimivirus polyadenylate synthase
分子名称: Putative poly(A) polymerase catalytic subunit
著者Priet, S, Lartigue, A, Claverie, J.M, Abergel, C.
登録日2014-10-27
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献mRNA maturation in giant viruses: variation on a theme.
Nucleic Acids Res., 43, 2015
4TQG
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BU of 4tqg by Molmil
Crystal structure of Megavirus UDP-GlcNAc 4,6-dehydratase, 5-epimerase Mg534
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative dTDP-d-glucose 4 6-dehydratase
著者Jeudy, S, Piacente, F, De Castro, C, Molinaro, A, Salis, A, Damonte, G, Bernardi, C, Tonetti, M, Claverie, J.M, Abergel, C.
登録日2014-06-11
公開日2014-06-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Giant Virus Megavirus chilensis Encodes the Biosynthetic Pathway for Uncommon Acetamido Sugars.
J.Biol.Chem., 289, 2014
8ORS
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BU of 8ors by Molmil
Knockout of GMC-oxidoreductase genes reveals that functional redundancy preserves mimivirus essential functions
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative GMC-type oxidoreductase
著者Alempic, J.M, Bisio, H, Villalta, A, Santini, S, Lartigue, A, Schmitt, A, Bugnot, C, Notaro, A, Belmudes, L, Adrait, A, Poirot, O, Ptchelkine, D, De Castro, C, Coute, Y, Abergel, C.
登録日2023-04-17
公開日2024-04-17
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Functional redundancy revealed by the deletion of the mimivirus GMC-oxidoreductase genes.
Microlife, 5, 2024
8ORH
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BU of 8orh by Molmil
Knockout of GMC-oxidoreductase genes reveals that functional redundancy preserves mimivirus essential functions
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative GMC-type oxidoreductase
著者Alempic, J.M, Bisio, H, Villalta, A, Santini, S, Lartigue, A, Schmitt, A, Bugnot, C, Notaro, A, Belmudes, L, Adrait, A, Poirot, O, Ptchelkine, D, De Castro, C, Coute, Y, Abergel, C.
登録日2023-04-14
公開日2024-04-17
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Functional redundancy revealed by the deletion of the mimivirus GMC-oxidoreductase genes.
Microlife, 5, 2024
1PQF
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BU of 1pqf by Molmil
Glycine 24 to Serine mutation of aspartate decarboxylase
分子名称: Aspartate 1-decarboxylase, SULFATE ION
著者Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L.
登録日2003-06-18
公開日2003-11-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1PPY
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BU of 1ppy by Molmil
Native precursor of pyruvoyl dependent Aspartate decarboxylase
分子名称: Aspartate 1-decarboxylase precursor, SULFATE ION
著者Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L.
登録日2003-06-17
公開日2003-11-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1PYQ
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BU of 1pyq by Molmil
Unprocessed Aspartate Decarboxylase Mutant, with Alanine inserted at position 24
分子名称: Aspartate 1-decarboxylase, SULFATE ION
著者Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L.
登録日2003-07-09
公開日2003-11-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1PYU
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BU of 1pyu by Molmil
Processed Aspartate Decarboxylase Mutant with Ser25 mutated to Cys
分子名称: Aspartate 1-decarboxylase alfa chain, Aspartate 1-decarboxylase beta chain, SULFATE ION
著者Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L.
登録日2003-07-09
公開日2003-11-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1PQH
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BU of 1pqh by Molmil
Serine 25 to Threonine mutation of aspartate decarboxylase
分子名称: Aspartate 1-decarboxylase, MALONIC ACID, SODIUM ION
著者Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L.
登録日2003-06-18
公開日2003-11-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1PT1
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BU of 1pt1 by Molmil
Unprocessed Pyruvoyl Dependent Aspartate Decarboxylase with Histidine 11 Mutated to Alanine
分子名称: Aspartate 1-decarboxylase, SULFATE ION
著者Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L.
登録日2003-06-22
公開日2003-11-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1PQE
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BU of 1pqe by Molmil
S25A mutant of pyruvoyl dependent aspartate decarboxylase
分子名称: Aspartate 1-decarboxylase
著者Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L.
登録日2003-06-18
公開日2003-11-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1PT0
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BU of 1pt0 by Molmil
Unprocessed Pyruvoyl Dependent Aspartate Decarboxylase with an Alanine insertion at position 26
分子名称: Aspartate 1-decarboxylase, SULFATE ION
著者Schmitzberger, F, Kilkenny, M.L, Lobley, C.M.C, Webb, M.E, Vinkovic, M, Matak-Vinkovic, D, Witty, M, Chirgadze, D.Y, Smith, A.G, Abell, C, Blundell, T.L.
登録日2003-06-22
公開日2003-11-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
4U4I
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BU of 4u4i by Molmil
Megavirus chilensis superoxide dismutase
分子名称: Cu/Zn superoxide dismutase
著者Lartigue, A, Claverie, J.-M, Burlat, B, Coutard, B, Abergel, C.
登録日2014-07-23
公開日2014-11-05
最終更新日2014-12-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The megavirus chilensis cu,zn-superoxide dismutase: the first viral structure of a typical cellular copper chaperone-independent hyperstable dimeric enzyme.
J.Virol., 89, 2015
1TUM
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BU of 1tum by Molmil
MUTT PYROPHOSPHOHYDROLASE-METAL-NUCLEOTIDE-METAL COMPLEX, NMR, 16 STRUCTURES
分子名称: COBALT TETRAAMMINE ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ...
著者Lin, J, Abeygunawardana, C, Frick, D.N, Bessman, M.J, Mildvan, A.S.
登録日1996-12-05
公開日1997-05-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the quaternary MutT-M2+-AMPCPP-M2+ complex and mechanism of its pyrophosphohydrolase action.
Biochemistry, 36, 1997
2A4Z
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Crystal Structure of human PI3Kgamma complexed with AS604850
分子名称: (5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit, gamma isoform
著者Camps, M, Ruckle, T, Ji, H, Ardissone, V, Rintelen, F, Shaw, J, Ferrandi, C, Chabert, C, Gillieron, C, Francon, B, Martin, T, Gretener, D, Perrin, D, Leroy, D, Vitte, P.-A, Hirsch, E, Wymann, M.P, Cirillo, R, Schwarz, M.K, Rommel, C.
登録日2005-06-30
公開日2005-09-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Blockade of PI3Kgamma suppresses joint inflammation and damage in mouse models of rheumatoid arthritis
NAT.MED. (N.Y.), 11, 2005

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