1HUE
 
 | | HISTONE-LIKE PROTEIN | | 分子名称: | HU PROTEIN | | 著者 | Vis, H, Mariani, M, Vorgias, C.E, Wilson, K.S, Kaptein, R, Boelens, R. | | 登録日 | 1995-05-26 | | 公開日 | 1995-10-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the HU protein from Bacillus stearothermophilus.
J.Mol.Biol., 254, 1995
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5HS3
 | | Human thymidylate synthase complexed with dUMP and 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol, Thymidylate synthase | | 著者 | Chen, D, Almqvist, H, Axelsson, H, Jafari, R, Mateus, A, Haraldsson, M, Larsson, A, Artursson, P, Molina, D.M, Lundback, T, Nordlund, P. | | 登録日 | 2016-01-25 | | 公開日 | 2016-02-24 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.103 Å) | | 主引用文献 | CETSA screening identifies known and novel thymidylate synthase inhibitors and slow intracellular activation of 5-fluorouracil
Nat Commun, 7, 2016
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1E8J
 | | SOLUTION STRUCTURE OF DESULFOVIBRIO GIGAS ZINC RUBREDOXIN, NMR, 20 STRUCTURES | | 分子名称: | RUBREDOXIN | | 著者 | Lamosa, P, Brennan, L, Vis, H, Turner, D.L, Santos, H. | | 登録日 | 2000-09-21 | | 公開日 | 2001-10-18 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR structure of Desulfovibrio gigas rubredoxin: a model for studying protein stabilization by compatible solutes.
Extremophiles, 5, 2001
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1ARR
 | | RELAXATION MATRIX REFINEMENT OF THE SOLUTION STRUCTURE OF THE ARC REPRESSOR | | 分子名称: | ARC REPRESSOR | | 著者 | Bonvin, A.M.J.J, Vis, H, Burgering, M.J.M, Breg, J.N, Boelens, R, Kaptein, R. | | 登録日 | 1993-08-24 | | 公開日 | 1994-01-31 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Nuclear magnetic resonance solution structure of the Arc repressor using relaxation matrix calculations.
J.Mol.Biol., 236, 1994
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1ARQ
 | | RELAXATION MATRIX REFINEMENT OF THE SOLUTION STRUCTURE OF THE ARC REPRESSOR | | 分子名称: | ARC REPRESSOR | | 著者 | Bonvin, A.M.J.J, Vis, H, Burgering, M.J.M, Breg, J.N, Boelens, R, Kaptein, R. | | 登録日 | 1993-08-24 | | 公開日 | 1994-01-31 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Nuclear magnetic resonance solution structure of the Arc repressor using relaxation matrix calculations.
J.Mol.Biol., 236, 1994
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2KMY
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1DQD
 | | CRYSTAL STRUCTURE OF FAB HGR-2 F6, A COMPETITIVE ANTAGONIST OF THE GLUCAGON RECEPTOR | | 分子名称: | FAB HGR-2 F6 | | 著者 | Wright, L.M, Brzozowski, A.M, Hubbard, R.E, Pike, A.C.W, Roberts, S.M, Skovgaard, R.N, Svendsen, I, Vissing, H, Bywater, R.P. | | 登録日 | 2000-01-04 | | 公開日 | 2000-05-10 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure of Fab hGR-2 F6, a competitive antagonist of the glucagon receptor.
Acta Crystallogr.,Sect.D, 56, 2000
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5WRN
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2KSU
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8CRC
 | | Structure of human Plk1 PBD in complex with Allopole-A | | 分子名称: | 7-chloro-4-(cyclopropylmethyl)-1-thioxo-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one, GLYCEROL, Serine/threonine-protein kinase PLK1 | | 著者 | Kirsch, K, Park, J.E, Lee, K.S. | | 登録日 | 2023-03-08 | | 公開日 | 2023-08-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Specific inhibition of an anticancer target, polo-like kinase 1, by allosterically dismantling its mechanism of substrate recognition.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5I7R
 | | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 2 [3-(3-([1,1'-biphenyl]-3-yl)ureido)benzoic acid] | | 分子名称: | 3-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}benzoic acid, ACETATE ION, O-phosphoserine sulfhydrylase, ... | | 著者 | Schnell, R, Maric, S, Schneider, G. | | 登録日 | 2016-02-18 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
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5I7H
 | | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 6 [3-(3-(4-Bromophenyl)ureido)benzoic acid] | | 分子名称: | 3-{[(4-bromophenyl)carbamoyl]amino}benzoic acid, CHLORIDE ION, O-phosphoserine sulfhydrylase, ... | | 著者 | Schnell, R, Maric, S, Schneider, G. | | 登録日 | 2016-02-17 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
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4LH6
 | | Crystal structure of a LigA inhibitor | | 分子名称: | 4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide, ACETATE ION, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, ... | | 著者 | Benenato, K, Wang, H, Mcguire, H.M, Davis, H, Gao, N, Prince, D.B, Jahic, H, Stokes, S.S, Boriack-Sjodin, P.A. | | 登録日 | 2013-06-30 | | 公開日 | 2013-12-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Identification through structure-based methods of a bacterial NAD(+)-dependent DNA ligase inhibitor that avoids known resistance mutations.
Bioorg.Med.Chem.Lett., 24, 2014
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8BWA
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with platinum | | 分子名称: | PLATINUM (II) ION, Twisted gastrulation protein homolog 1 | | 著者 | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | 登録日 | 2022-12-06 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (3.61 Å) | | 主引用文献 | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
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8BWI
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1), crystal form 2 | | 分子名称: | Twisted gastrulation protein homolog 1 | | 著者 | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | 登録日 | 2022-12-06 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
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8BWL
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation factor 5 (GDF5) and calcium | | 分子名称: | CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1 | | 著者 | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | 登録日 | 2022-12-06 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
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8BWM
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation factor 5 (GDF5) and calcium, long-wavelength X-ray dataset (4042 eV) | | 分子名称: | CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1 | | 著者 | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | 登録日 | 2022-12-07 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
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8BWD
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1), crystal form 1 | | 分子名称: | SULFATE ION, Twisted gastrulation protein homolog 1 | | 著者 | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | 登録日 | 2022-12-06 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | | 主引用文献 | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
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8BWN
 | | Crystal structure of human Twisted gastrulation protein homolog 1 (TWSG1) in complex with human Growth Differentiation Factor 5 (GDF5) and calcium, long-wavelength X-ray dataset (4010 eV) | | 分子名称: | CALCIUM ION, Growth/differentiation factor 5, Twisted gastrulation protein homolog 1 | | 著者 | Malinauskas, T, Rudolf, A.F, Moore, G, Eggington, H, Belnoue-Davis, H, El Omari, K, Woolley, R.E, Griffiths, S.C, Duman, R, Wagner, A, Leedham, S.J, Baldock, C, Ashe, H, Siebold, C. | | 登録日 | 2022-12-07 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Molecular mechanism of BMP signal control by Twisted gastrulation.
Nat Commun, 15, 2024
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5IWC
 | | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 3 [4-(3-([1,1'-Biphenyl]-3-yl)ureido)-2-hydroxybenzoic acid] | | 分子名称: | 4-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Schnell, R, Maric, S, Lindqvist, Y, Schneider, G. | | 登録日 | 2016-03-22 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
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5NQR
 | | Potent inhibitors of NUDT5 silence hormone signaling in breast cancer | | 分子名称: | 8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione, ADP-sugar pyrophosphatase | | 著者 | Carter, M, Stenmark, P. | | 登録日 | 2017-04-21 | | 公開日 | 2018-01-31 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells.
Nat Commun, 9, 2018
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6T6P
 | | Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) at 1.57 A resolution | | 分子名称: | 3-oxoacyl-[acyl-carrier protein] reductase, GLYCEROL, PHOSPHATE ION | | 著者 | Vella, P, Schnell, R, Lindqvist, Y, Schneider, G. | | 登録日 | 2019-10-18 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
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6T77
 | | Crystal structure of Klebsiella pneumoniae FabG(NADPH-dependent) NADP-complex at 1.75 A resolution | | 分子名称: | 3-oxoacyl-ACP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Vella, P, Schnell, R, Lindqvist, Y, Schneider, G. | | 登録日 | 2019-10-21 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
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6T6N
 | | Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) in complex with NADH at 2.5 A resolution | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-oxoacyl-[acyl-carrier protein] reductase, D-MALATE, ... | | 著者 | Vella, P, Schnell, R, Lindqvist, Y, Schneider, G. | | 登録日 | 2019-10-18 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
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5I6D
 | | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 5 [3-(3-(p-Tolyl)ureido) benzoic acid] | | 分子名称: | 3-{[(4-methylphenyl)carbamoyl]amino}benzoic acid, GLYCEROL, O-phosphoserine sulfhydrylase, ... | | 著者 | Schnell, R, Maric, S, Schneider, G. | | 登録日 | 2016-02-16 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
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