2G7H
 
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4BZU
 | | The Solution Structure of the MLN 944-d(TATGCATA)2 Complex | | 分子名称: | 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, DNA | | 著者 | Serobian, A, Thomas, D.S, Ball, G.E, Denny, W.A, Wakelin, L.P.G. | | 登録日 | 2013-07-30 | | 公開日 | 2013-08-21 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Solution Structure of Bis(Phenazine-1-Carboxamide)-DNA Complexes: Mln 944 Binding Corrected and Extended.
Biopolymers, 101, 2014
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4BZV
 | | The Solution Structure of the MLN 944-d(TACGCGTA)2 complex | | 分子名称: | 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, DNA | | 著者 | Serobian, A, Thomas, D.S, Ball, G.E, Denny, W.A, Wakelin, L.P.G. | | 登録日 | 2013-07-30 | | 公開日 | 2013-08-21 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Solution Structure of Bis(Phenazine-1-Carboxamide)-DNA Complexes: Mln 944 Binding Corrected and Extended.
Biopolymers, 101, 2014
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4BZT
 | | The Solution Structure of the MLN 944-d(ATGCAT)2 Complex | | 分子名称: | 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, DNA | | 著者 | Serobian, A, Thomas, D.S, Ball, G.E, Denny, W.A, Wakelin, L.P.G. | | 登録日 | 2013-07-30 | | 公開日 | 2013-08-21 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Solution Structure of Bis(Phenazine-1-Carboxamide)-DNA Complexes: Mln 944 Binding Corrected and Extended.
Biopolymers, 101, 2014
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1RLM
 | | Crystal Structure of ybiV from Escherichia coli K12 | | 分子名称: | GLYCEROL, MAGNESIUM ION, Phosphatase | | 著者 | Roberts, A, Lee, S.Y, McCullagh, E, Silversmith, R.E, Wemmer, D.E. | | 登録日 | 2003-11-26 | | 公開日 | 2004-12-07 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Ybiv from Escherichia coli K12 is a HAD phosphatase.
Proteins, 58, 2005
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1RLT
 | | Transition State Analogue of ybiV from E. coli K12 | | 分子名称: | ACETATE ION, ALUMINUM FLUORIDE, GLYCEROL, ... | | 著者 | Roberts, A, Lee, S.Y, McCullagh, E, Silversmith, R.E, Wemmer, D.E. | | 登録日 | 2003-11-26 | | 公開日 | 2004-12-07 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Ybiv from Escherichia coli K12 is a HAD phosphatase.
Proteins, 58, 2005
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1RLO
 | | Phospho-aspartyl Intermediate Analogue of ybiV from E. coli K12 | | 分子名称: | GLYCEROL, MAGNESIUM ION, Phosphatase | | 著者 | Roberts, A, Lee, S.Y, McCullagh, E, Silversmith, R.E, Wemmer, D.E. | | 登録日 | 2003-11-26 | | 公開日 | 2004-12-07 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Ybiv from Escherichia coli K12 is a HAD phosphatase.
Proteins, 58, 2005
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1TUH
 | | Structure of Bal32a from a Soil-Derived Mobile Gene Cassette | | 分子名称: | ACETATE ION, hypothetical protein EGC068 | | 著者 | Robinson, A, Wu, P.S.-C, Harrop, S.J, Schaeffer, P.M, Dixon, N.E, Gillings, M.R, Holmes, A.J, Nevalainen, K.M.H, Otting, G, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C. | | 登録日 | 2004-06-25 | | 公開日 | 2004-07-06 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Integron-associated Mobile Gene Cassettes Code for Folded Proteins: The Structure of Bal32a, a New Member of the Adaptable alpha+beta Barrel Family
J.Mol.Biol., 346, 2005
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4HTG
 | | Porphobilinogen Deaminase from Arabidopsis Thaliana | | 分子名称: | 3-[(5Z)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methylidene}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid, ACETATE ION, Porphobilinogen deaminase, ... | | 著者 | Roberts, A, Gill, R, Hussey, R.J, Erskine, P.T, Cooper, J.B, Wood, S.P, Chrystal, E.J.T, Shoolingin-Jordan, P.M. | | 登録日 | 2012-11-01 | | 公開日 | 2013-02-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Insights into the mechanism of pyrrole polymerization catalysed by porphobilinogen deaminase: high-resolution X-ray studies of the Arabidopsis thaliana enzyme.
Acta Crystallogr.,Sect.D, 69, 2013
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1B6Y
 | | 3,N4-ETHENO-2'-DEOXYCYTIDINE OPPOSITE ADENINE IN AN 11-MER DUPLEX, SOLUTION STRUCTURE FROM NMR AND MOLECULAR DYNAMICS, 2 STRUCTURES | | 分子名称: | 5'-D(*CP*GP*TP*AP*CP*(EDC)P*CP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*TP*GP*AP*GP*TP*AP*CP*G)-3' | | 著者 | Korobka, A, Cullinan, D, Cosman, M, Grollman, A.P, Patel, D.J, Eisenberg, M, De Los Santos, C. | | 登録日 | 1999-01-19 | | 公開日 | 1999-01-27 | | 最終更新日 | 2024-04-10 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of an oligodeoxynucleotide duplex containing the exocyclic lesion 3,N4-etheno-2'-deoxycytidine opposite 2'-deoxyadenosine, determined by NMR spectroscopy and restrained molecular dynamics.
Biochemistry, 35, 1996
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1GGV
 | | CRYSTAL STRUCTURE OF THE C123S MUTANT OF DIENELACTONE HYDROLASE (DLH) BOUND WITH THE PMS MOIETY OF THE PROTEASE INHIBITOR, PHENYLMETHYLSULFONYL FLUORIDE (PMSF) | | 分子名称: | DIENELACTONE HYDROLASE | | 著者 | Robinson, A, Edwards, K.J, Carr, P.D, Barton, J.D, Ewart, G.D, Ollis, D.L. | | 登録日 | 2000-09-27 | | 公開日 | 2000-12-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure of the C123S mutant of dienelactone hydrolase (DLH) bound with the PMS moiety of the protease inhibitor phenylmethylsulfonyl fluoride (PMSF).
Acta Crystallogr.,Sect.D, 56, 2000
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2JWD
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2Q9L
 | | Crystal structure of iMazG from Vibrio DAT 722: Ctag-iMazG (P43212) | | 分子名称: | Hypothetical protein, MAGNESIUM ION | | 著者 | Robinson, A, Guilfoyle, A.P, Harrop, S.J, Boucher, Y, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C. | | 登録日 | 2007-06-13 | | 公開日 | 2007-10-09 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A putative house-cleaning enzyme encoded within an integron array: 1.8 A crystal structure defines a new MazG subtype.
Mol.Microbiol., 66, 2007
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2Q5Z
 | | Crystal structure of iMazG from Vibrio DAT 722: Ntag-iMazG (P43212) | | 分子名称: | GLYCEROL, Hypothetical protein, MAGNESIUM ION | | 著者 | Robinson, A, Guilfoyle, A.P, Harrop, S.J, Boucher, Y, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C. | | 登録日 | 2007-06-04 | | 公開日 | 2007-10-09 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A putative house-cleaning enzyme encoded within an integron array: 1.8 A crystal structure defines a new MazG subtype.
Mol.Microbiol., 66, 2007
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2Q73
 | | Crystal structure of iMazG from Vibrio DAT 722: Ctag-iMazG (P41212) | | 分子名称: | Hypothetical protein, MAGNESIUM ION | | 著者 | Robinson, A, Guilfoyle, A.P, Harrop, S.J, Boucher, Y, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C. | | 登録日 | 2007-06-05 | | 公開日 | 2007-10-09 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A putative house-cleaning enzyme encoded within an integron array: 1.8 A crystal structure defines a new MazG subtype.
Mol.Microbiol., 66, 2007
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4GX8
 | | Crystal structure of a DNA polymerase III alpha-epsilon chimera | | 分子名称: | CHLORIDE ION, DNA polymerase III subunit epsilon,DNA polymerase III subunit alpha | | 著者 | Robinson, A, Horan, N, Xu, Z.-Q, Dixon, N.E, Oakley, A.J. | | 登録日 | 2012-09-04 | | 公開日 | 2013-04-03 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Proofreading exonuclease on a tether: the complex between the E. coli DNA polymerase III subunits alpha, {varepsilon}, theta and beta reveals a highly flexible arrangement of the proofreading domain
Nucleic Acids Res., 41, 2013
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7CI8
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | (1S)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol, MAGNESIUM ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | 著者 | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CI6
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol, CHLORIDE ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | 著者 | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CIE
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | (2R)-2-azanyl-3-oxidanyl-N-[3-(trifluoromethyloxy)phenyl]propanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CIA
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | 4-HYDROXY-BENZOIC ACID METHYL ESTER, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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6QZ7
 | | Structure of MBP-Mcl-1 in complex with compound 8b | | 分子名称: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | 登録日 | 2019-03-11 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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6QZB
 | | Structure of Mcl-1 in complex with compound 8d | | 分子名称: | (2~{R})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | 登録日 | 2019-03-11 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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6QXJ
 | | Structure of MBP-Mcl-1 in complex with compound 6a | | 分子名称: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | | 著者 | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | 登録日 | 2019-03-07 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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3L14
 | | Human Carbonic Anhydrase II complexed with Althiazide | | 分子名称: | 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE, Carbonic anhydrase 2, ZINC ION | | 著者 | Quirit, J.G, Robbins, A, Genis, C, Tu, C, Silverman, D.N, McKenna, R. | | 登録日 | 2009-12-10 | | 公開日 | 2011-01-05 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | The Promiscuous Nature of Althiazide in Adducts with CA II and CA IX Mimic
To be Published
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5LOF
 | | Crystal structure of the MBP-MCL1 complex with highly selective and potent inhibitor of MCL1 | | 分子名称: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Dokurno, P, Kotschy, A, Szlavik, Z, Murray, J, Davidson, J, Csekei, M, Paczal, A, Szabo, Z, Sipos, S, Radics, G, Proszenyak, A, Balint, B, Ondi, L, Blasko, G, Robertson, A, Surgenor, A, Chen, I, Matassova, N, Smith, J, Pedder, C, Graham, C, Geneste, O. | | 登録日 | 2016-08-09 | | 公開日 | 2016-10-26 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The MCL1 inhibitor S63845 is tolerable and effective in diverse cancer models.
Nature, 538, 2016
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