1NME
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![BU of 1nme by Molmil](/molmil-images/mine/1nme) | Structure of Casp-3 with tethered salicylate | Descriptor: | 2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID, 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3 | Authors: | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, B, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T. | Deposit date: | 2003-01-09 | Release date: | 2003-03-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | In situ assembly of enzyme inhibitors using extended tethering. Nat.Biotechnol., 21, 2003
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1NMQ
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![BU of 1nmq by Molmil](/molmil-images/mine/1nmq) | Extendend Tethering: In Situ Assembly of Inhibitors | Descriptor: | 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3 | Authors: | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T. | Deposit date: | 2003-01-10 | Release date: | 2003-03-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | In situ assembly of enzyme inhibitors using extended tethering. Nat.Biotechnol., 21, 2003
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2PK8
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![BU of 2pk8 by Molmil](/molmil-images/mine/2pk8) | Crystal structure of an uncharacterized protein PF0899 from Pyrococcus furiosus | Descriptor: | GOLD (I) CYANIDE ION, Uncharacterized protein PF0899 | Authors: | Liu, Z.J, Tempel, W, Chen, L, Shah, A, Lee, D, Clancy-Kelley, L.L, Dillard, B.D, Rose, J.P, Sugar, F.J, Jenny Jr, F.E, Lee, H.S, Izumi, M, Shah, C, Poole III, F.L, Adams, M.W.W, Richardson, J.S, Richardson, D.C, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2007-04-17 | Release date: | 2007-05-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of the hypothetical protein PF0899 from Pyrococcus furiosus at 1.85 A resolution. Acta Crystallogr.,Sect.F, 63, 2007
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5AQX
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![BU of 5aqx by Molmil](/molmil-images/mine/5aqx) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | (1R,2S,3R,5R)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 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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5AQT
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![BU of 5aqt by Molmil](/molmil-images/mine/5aqt) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)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 (1.9 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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5AQH
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![BU of 5aqh by Molmil](/molmil-images/mine/5aqh) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | 5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ... | 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 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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5AQY
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![BU of 5aqy by Molmil](/molmil-images/mine/5aqy) | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE, DIMETHYL SULFOXIDE, ... | 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 (1.56 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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5AQF
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![BU of 5aqf by Molmil](/molmil-images/mine/5aqf) | 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, ADENOSINE, 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 (1.88 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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5AQN
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![BU of 5aqn by Molmil](/molmil-images/mine/5aqn) | 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, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE, ... | 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 (2.45 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
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![BU of 5aqg by Molmil](/molmil-images/mine/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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2LSO
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![BU of 2lso by Molmil](/molmil-images/mine/2lso) | Solution NMR Structure of the Globular Domain of Human Histone H1x, Northeast Structural Genomics Consortium (NESG) Target HR7057A | Descriptor: | Histone H1x | Authors: | Eletsky, A, Lee, H, Lee, D, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Prestegard, J.H, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-05-03 | Release date: | 2012-06-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of the Globular Domain of Human Histone H1x, Northeast Structural Genomics Consortium (NESG) Target HR7057A To be Published
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2L9P
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![BU of 2l9p by Molmil](/molmil-images/mine/2l9p) | Solution NMR Structure of Q5HLI9 from Staphylococcus epidermidis, Northeast Structural Genomics Consortium Target SeR147 | Descriptor: | Uncharacterized protein | Authors: | Mills, J.L, Eletsky, A, Lee, H, Lee, D, Ciccosanti, C, Sapin, A, Mao, L, Nair, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-02-22 | Release date: | 2011-04-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Northeast Structural Genomics Consortium Target SeR147 To be Published
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2L3W
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![BU of 2l3w by Molmil](/molmil-images/mine/2l3w) | Solution NMR Structure of the PBS linker domain of phycobilisome rod linker polypeptide from Synechococcus elongatus, Northeast Structural Genomics Consortium Target SnR168A | Descriptor: | Phycobilisome rod linker polypeptide | Authors: | Eletsky, A, Lee, H, Lee, D, Ciccosanti, C, Hamilton, K, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-09-24 | Release date: | 2010-12-15 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of the PBS linker domain of phycobilisome rod linker polypeptide from Synechococcus elongatus, Northeast Structural Genomics Consortium Target SnR168A To be Published
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3NNG
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![BU of 3nng by Molmil](/molmil-images/mine/3nng) | Crystal structure of the F5/8 type C domain of Q5LFR2_BACFN protein from Bacteroides fragilis. Northeast Structural Genomics Consortium Target BfR258E | Descriptor: | CALCIUM ION, uncharacterized protein | Authors: | Vorobiev, S, Su, M, Dimaio, F, Baker, D, Seetharaman, J, Janjua, J, Xiao, R, Ciccosanti, C, Foote, E.L, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-06-23 | Release date: | 2010-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.177 Å) | Cite: | Crystal structure of the F5/8 type C domain of Q5LFR2_BACFN protein from Bacteroides fragilis. To be Published
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4G06
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![BU of 4g06 by Molmil](/molmil-images/mine/4g06) | Crystal structure of protein SP_0782 (7-79) from Streptococcus pneumoniae complexed with ssDNA. Northeast Structural Genomics Consortium (NESG) target SPR104 | Descriptor: | DI(HYDROXYETHYL)ETHER, THYMIDINE-5'-MONOPHOSPHATE, Uncharacterized protein | Authors: | Kuzin, A.P, Su, M, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-07-09 | Release date: | 2012-07-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.905 Å) | Cite: | Northeast Structural Genomics Consortium Target SpR104 To be Published
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1XI8
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![BU of 1xi8 by Molmil](/molmil-images/mine/1xi8) | Molybdenum cofactor biosynthesis protein from Pyrococcus furiosus Pfu-1657500-001 | Descriptor: | Molybdenum cofactor biosynthesis protein | Authors: | Zhou, W, Zhao, M, Chang, J.C, Liu, Z.-J, Chen, L, Horanyi, P, Xu, H, Yang, H, Habel, J.E, Lee, D, Chang, S.-H, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-09-21 | Release date: | 2004-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.504 Å) | Cite: | Molybdenum cofactor biosynthesis protein from Pyrococcus furiosus Pfu-1657500-001 To be published
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1ZD0
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![BU of 1zd0 by Molmil](/molmil-images/mine/1zd0) | Crystal structure of Pfu-542154 conserved hypothetical protein | Descriptor: | MAGNESIUM ION, METHANOL, UNKNOWN ATOM OR ION, ... | Authors: | Habel, J.E, Liu, Z.J, Horanyi, P.S, Florence, Q.J.T, Tempel, W, Zhou, W, Chen, L, Lee, D, Nguyen, J, Chang, S.H, Bereton, P, Izumi, M, Jenny Jr, F.E, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2005-04-13 | Release date: | 2005-05-17 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of Pfu-542154 conserved hypothetical protein To be Published
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1XK8
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![BU of 1xk8 by Molmil](/molmil-images/mine/1xk8) | Divalent cation tolerant protein CUTA from Homo sapiens O60888 | Descriptor: | Divalent cation tolerant protein CUTA, SODIUM ION | Authors: | Tempel, W, Chen, L, Liu, Z.-J, Lee, D, Shah, A, Dailey, T.A, Mayer, M.R, Arendall III, W.B, Rose, J.P, Dailey, H.A, Richardson, J.S, Richardson, D.C, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-09-27 | Release date: | 2004-10-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Divalent cation tolerant protein CUTA from Homo sapiens O60888 To be published
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1XE1
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![BU of 1xe1 by Molmil](/molmil-images/mine/1xe1) | Hypothetical Protein From Pyrococcus Furiosus Pfu-880080-001 | Descriptor: | SULFATE ION, hypothetical protein PF0907 | Authors: | Chang, J.C, Zhao, M, Zhou, W, Liu, Z.J, Tempel, W, Arendall III, W.B, Chen, L, Lee, D, Habel, J.E, Rose, J.P, Richardson, J.S, Richardson, D.C, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-09-08 | Release date: | 2004-09-21 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Hypothetical Protein From Pyrococcus Furiosus Pfu-880080-001 To be published
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1XHC
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![BU of 1xhc by Molmil](/molmil-images/mine/1xhc) | NADH oxidase /nitrite reductase from Pyrococcus furiosus Pfu-1140779-001 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase /nitrite reductase | Authors: | Horanyi, P, Tempel, W, Weinberg, M.V, Liu, Z.-J, Shah, A, Chen, L, Lee, D, Sugar, F.J, Brereton, P.S, Izumi, M, Poole II, F.L, Shah, C, Jenney Jr, F.E, Arendall III, W.B, Rose, J.P, Adams, M.W.W, Richardson, J.S, Richardson, D.C, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-09-17 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | NADH oxidase /nitrite reductase from Pyrococcus furiosus Pfu-1140779-001 To be published
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1ZYS
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![BU of 1zys by Molmil](/molmil-images/mine/1zys) | Co-crystal structure of Checkpoint Kinase Chk1 with a pyrrolo-pyridine inhibitor | Descriptor: | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE, SULFATE ION, Serine/threonine-protein kinase Chk1, ... | Authors: | Stavenger, R.A, Zhao, B, Zhou, B.-B.S, Brown, M.J, Lee, D, Holt, D.A. | Deposit date: | 2005-06-10 | Release date: | 2006-06-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Pyrrolo[2,3-b]pyridines Inhibit the Checkpoint Kinase Chk1 To be Published
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1XI6
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![BU of 1xi6 by Molmil](/molmil-images/mine/1xi6) | Extragenic suppressor from Pyrococcus furiosus Pfu-1862794-001 | Descriptor: | extragenic suppressor | Authors: | Zhao, M, Chang, J.C, Zhou, W, Chen, L, Horanyi, P, Xu, H, Yang, H, Liu, Z.-J, Habel, J.E, Lee, D, Chang, S.-H, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-09-21 | Release date: | 2004-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Extragenic suppressor from Pyrococcus furiosus Pfu-1862794-001 To be published
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3MGJ
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![BU of 3mgj by Molmil](/molmil-images/mine/3mgj) | Crystal structure of the Saccharop_dh_N domain of MJ1480 protein from Methanococcus jannaschii. Northeast Structural Genomics Consortium Target MjR83a. | Descriptor: | Uncharacterized protein MJ1480 | Authors: | Vorobiev, S, Neely, H, Seetharaman, J, Lee, D, Patel, D, Ciccosanti, C, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-04-06 | Release date: | 2010-04-21 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.703 Å) | Cite: | Crystal structure of the Saccharop_dh_N domain of MJ1480 protein from Methanococcus jannaschii. To be Published
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2KQ1
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![BU of 2kq1 by Molmil](/molmil-images/mine/2kq1) | Solution Structure Of Protein BH0266 From Bacillus halodurans. Northeast Structural Genomics Consortium Target BhR97a | Descriptor: | BH0266 protein | Authors: | Wu, Y, Eletsky, A, Lee, D, Sathyamoorthy, B, Buchwald, W, Hua, J, Ciccosanti, C, He, Y, Hamilton, K, Acton, T, Xiao, R, Everett, J, Lee, H, Prestegard, J, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-10-23 | Release date: | 2009-12-22 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution Structure Of Protein BH0266 From Bacillus halodurans To be Published
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2KD7
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![BU of 2kd7 by Molmil](/molmil-images/mine/2kd7) | Solution NMR structure of F5/8 type C-terminal domain of a putative chitobiase from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium target BtR324B | Descriptor: | Putative chitobiase | Authors: | Eletsky, A, Mills, J.L, Lee, H, Lee, D, Jiang, M, Ciccosanti, C, Xiao, R, Nair, R, Everett, J.K, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Prestegard, J.H, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-01-04 | Release date: | 2009-02-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of F5/8 type C-terminal domain of a putative chitobiase from Bacteroides thetaiotaomicron. To be Published
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