5AQU
 
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | Descriptor: | (1S,2R,3R,5R)-3-(HYDROXYMETHYL)-5-((5-METHOXYQUINAZOLIN-4-YL)AMINO)CYCLOPENTANE-1,2-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
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5AQO
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-METHYLQUINAZOLIN-4-AMINE, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
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5AQG
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | Descriptor: | (2R,3R,4S,5R)-2-(3-AMINO-5-METHYL-1,4,5,6,8-PENTAAZAACENAPHTHYLEN-1(5H)-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | | Authors: | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | Deposit date: | 2015-09-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
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2AU1
 | | Crystal Structure of group A Streptococcus MAC-1 orthorhombic form | | Descriptor: | BETA-MERCAPTOETHANOL, IgG-degrading protease | | Authors: | Agniswamy, J, Nagiec, M.J, Liu, M, Schuck, P, Musser, J.M, Sun, P.D. | | Deposit date: | 2005-08-26 | | Release date: | 2006-02-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of group a streptococcus mac-1: insight into dimer-mediated specificity for recognition of human IgG.
Structure, 14, 2006
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2AVW
 | | Crystal structure of monoclinic form of streptococcus Mac-1 | | Descriptor: | GLYCEROL, IgG-degrading protease, SULFATE ION | | Authors: | Agniswamy, J, Nagiec, M.J, Liu, M, Schuck, P, Musser, J.M, Sun, P.D. | | Deposit date: | 2005-08-30 | | Release date: | 2006-02-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of group a streptococcus mac-1: insight into dimer-mediated specificity for recognition of human IgG.
Structure, 14, 2006
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5Y3R
 | | Cryo-EM structure of Human DNA-PK Holoenzyme | | Descriptor: | DNA (34-MER), DNA (36-MER), DNA-dependent protein kinase catalytic subunit, ... | | Authors: | Yin, X, Liu, M, Tian, Y, Wang, J, Xu, Y. | | Deposit date: | 2017-07-29 | | Release date: | 2017-09-06 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Cryo-EM structure of human DNA-PK holoenzyme
Cell Res., 27, 2017
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5YZ0
 | | Cryo-EM Structure of human ATR-ATRIP complex | | Descriptor: | ATR-interacting protein, Serine/threonine-protein kinase ATR | | Authors: | Rao, Q, Liu, M, Tian, Y, Wu, Z, Wang, H, Wang, J, Xu, Y. | | Deposit date: | 2017-12-11 | | Release date: | 2018-01-31 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Cryo-EM structure of human ATR-ATRIP complex.
Cell Res., 28, 2018
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5ZE3
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7SMK
 | | H. neapolitanus carboxysomal rubisco/CsoSCA-peptide (1-50)complex | | Descriptor: | Carboxysome shell carbonic anhydrase, Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain | | Authors: | Blikstad, C, Dugan, E, Laughlin, T.G, Liu, M, Shoemaker, S, Remis, J, Savage, D.F. | | Deposit date: | 2021-10-26 | | Release date: | 2023-05-24 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (1.98 Å) | | Cite: | Identification of a carbonic anhydrase-Rubisco complex within the alpha-carboxysome.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7SNV
 | | H. neapolitanus carboxysomal rubisco/CsoSCA-peptide (1-50)complex | | Descriptor: | Carboxysome shell carbonic anhydrase, Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain | | Authors: | Blikstad, C, Dugan, E, Laughlin, T.G, Liu, M, Shoemaker, S, Remis, J, Savage, D.F. | | Deposit date: | 2021-10-28 | | Release date: | 2023-05-03 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (2.07 Å) | | Cite: | Identification of a carbonic anhydrase-Rubisco complex within the alpha-carboxysome.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5H64
 | | Cryo-EM structure of mTORC1 | | Descriptor: | Regulatory-associated protein of mTOR, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8 | | Authors: | Yang, H, Wang, J, Liu, M, Chen, X, Huang, M, Tan, D, Dong, M, Wong, C.C.L, Wang, J, Xu, Y, Wang, H. | | Deposit date: | 2016-11-10 | | Release date: | 2017-01-25 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | 4.4 angstrom Resolution Cryo-EM structure of human mTOR Complex 1
Protein Cell, 7, 2016
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3TG2
 | | Crystal structure of the ISC domain of VibB in complex with isochorismate | | Descriptor: | (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, TRIETHYLENE GLYCOL, Vibriobactin-specific isochorismatase | | Authors: | Liu, S, Zhang, C, Niu, B, Li, N, Liu, X, Liu, M, Wei, T, Zhu, D, Huang, Y, Xu, S, Gu, L. | | Deposit date: | 2011-08-17 | | Release date: | 2012-08-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.101 Å) | | Cite: | Structural insight into the ISC domain of VibB from Vibrio cholerae at atomic resolution: a snapshot just before the enzymatic reaction
Acta Crystallogr.,Sect.D, 68, 2012
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3TB4
 | | Crystal structure of the ISC domain of VibB | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Liu, S, Zhang, C, Niu, B, Li, N, Liu, M, Wei, T, Zhu, D, Xu, S, Gu, L. | | Deposit date: | 2011-08-05 | | Release date: | 2012-08-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural insight into the ISC domain of VibB from Vibrio cholerae at atomic resolution: a snapshot just before the enzymatic reaction
Acta Crystallogr.,Sect.D, 68, 2012
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4HCC
 | | The zinc ion bound form of crystal structure of E.coli ExoI-ssDNA complex | | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), Exodeoxyribonuclease I, ISOPROPYL ALCOHOL, ... | | Authors: | Qiu, R, Wei, J, Lou, T, Liu, M, Ji, C, Gong, W. | | Deposit date: | 2012-09-29 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | The structures of Escherichia coli exonuclease I in complex with the single strand DNA
To be published
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4HCB
 | | The metal-free form of crystal structure of E.coli ExoI-ssDNA complex | | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), Exodeoxyribonuclease I, GLYCEROL, ... | | Authors: | Qiu, R, Wei, J, Lou, T, Liu, M, Ji, C, Gong, W. | | Deposit date: | 2012-09-29 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structures of Escherichia coli exonuclease I in complex with the single strand DNA
To be published
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2LUH
 | | NMR structure of the Vta1-Vps60 complex | | Descriptor: | Vacuolar protein sorting-associated protein VTA1, Vacuolar protein-sorting-associated protein 60 | | Authors: | Yang, Z, Vild, C, Ju, J, Zhang, X, Liu, J, Shen, J, Zhao, B, Lan, W, Gong, F, Liu, M, Cao, C, Xu, Z. | | Deposit date: | 2012-06-13 | | Release date: | 2012-11-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Basis of Molecular Recognition between ESCRT-III-like Protein Vps60 and AAA-ATPase Regulator Vta1 in the Multivesicular Body Pathway.
J.Biol.Chem., 287, 2012
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7F77
 | | Crystal structure of glutamate dehydrogenase 3 from Candida albicans | | Descriptor: | Glutamate dehydrogenase | | Authors: | Li, N, Wang, W, Zeng, X, Liu, M, Li, M, Li, C, Wang, M. | | Deposit date: | 2021-06-28 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.086 Å) | | Cite: | Crystal structure of glutamate dehydrogenase 3 from Candida albicans.
Biochem.Biophys.Res.Commun., 570, 2021
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7F79
 | | Crystal structure of glutamate dehydrogenase 3 from Candida albicans in complex with alpha-ketoglutarate and NADPH | | Descriptor: | 2-OXOGLUTARIC ACID, GLYCEROL, Glutamate dehydrogenase, ... | | Authors: | Li, N, Wang, W, Zeng, X, Liu, M, Li, M, Li, C, Wang, M. | | Deposit date: | 2021-06-28 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of glutamate dehydrogenase 3 from Candida albicans.
Biochem.Biophys.Res.Commun., 570, 2021
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5GGM
 | | The NMR structure of calmodulin in CTAB reverse micelles | | Descriptor: | CALCIUM ION, Calmodulin, TERBIUM(III) ION | | Authors: | Xu, G, Cheng, K, Wu, Q, Liu, M, Li, C. | | Deposit date: | 2016-06-16 | | Release date: | 2016-09-28 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The NMR structure of calmodulin in CTAB reverse micelles
To Be Published
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3KH2
 | | Crystal structure of the P1 bacteriophage Doc toxin (F68S) in complex with the Phd antitoxin (L17M/V39A). Northeast Structural Genomics targets ER385-ER386 | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Death on curing protein, ... | | Authors: | Arbing, M.A, Kuzin, A.P, Su, M, Abashidze, M, Verdon, G, Liu, M, Xiao, R, Acton, T, Inouye, M, Montelione, G.T, Woychik, N.A, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-10-29 | | Release date: | 2010-08-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Crystal Structures of Phd-Doc, HigA, and YeeU Establish Multiple Evolutionary Links between Microbial Growth-Regulating Toxin-Antitoxin Systems.
Structure, 18, 2010
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3KLU
 | | Crystal structure of the protein yqbn. northeast structural genomics consortium target sr445. | | Descriptor: | MANGANESE (II) ION, Uncharacterized protein yqbN | | Authors: | Kuzin, A.P, Su, M, Seetharaman, J, Wang, D, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, M, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-11-09 | | Release date: | 2009-11-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the protein yqbn. northeast structural genomics consortium target sr445.
To be Published
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3JSD
 | | Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus | | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | | Authors: | Weiss, M.A, Wan, Z.L, Dodson, E.J, Liu, M, Xu, B, Hua, Q.X, Turkenburg, M, Whittingham, J, Nakagawa, S.H, Huang, K, Hu, S.Q, Jia, W.H, Wang, S.H, Brange, J, Whittaker, J, Arvan, P, Katsoyannis, P.G, Dodson, G.G. | | Deposit date: | 2009-09-10 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus
To be Published
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4XSK
 | | Structure of PAItrap, an uPA mutant | | Descriptor: | GLYCEROL, SULFATE ION, TRIETHYLENE GLYCOL, ... | | Authors: | Gong, L, Proulle, V, Hong, Z, Lin, Z, Liu, M, Yuan, C, Lin, L, Furie, B, Flaumenhaft, R, Andreasen, P, Furie, B, Huang, M. | | Deposit date: | 2015-01-22 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of PAItrap, an uPA mutant
To Be Published
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4C4G
 | | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | | Deposit date: | 2013-09-05 | | Release date: | 2013-12-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
J.Med.Chem., 56, 2013
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4C4I
 | | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate | | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | | Deposit date: | 2013-09-05 | | Release date: | 2013-12-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
J.Med.Chem., 56, 2013
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