5FSO
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![BU of 5fso by Molmil](/molmil-images/mine/5fso) | MTH1 substrate recognition: Complex with a methylaminopyrimidinedione. | Descriptor: | 6-(METHYLAMINO)-1H-PYRIMIDINE-2,4-DIONE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, ... | Authors: | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | Deposit date: | 2016-01-06 | Release date: | 2017-01-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | MTH1 Substrate Recognition--An Example of Specific Promiscuity. PLoS ONE, 11, 2016
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5FSI
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![BU of 5fsi by Molmil](/molmil-images/mine/5fsi) | MTH1 substrate recognition: Complex with 8-oxo-dGTP. | Descriptor: | 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE | Authors: | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | Deposit date: | 2016-01-06 | Release date: | 2016-07-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Mth1 Substrate Recognition--an Example of Specific Promiscuity. Plos One, 11, 2016
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5FSN
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![BU of 5fsn by Molmil](/molmil-images/mine/5fsn) | MTH1 substrate recognition: Complex with a aminomethylpyrimidinyl oxypropanol. | Descriptor: | 3-(2-AMINO-6-METHYL-PYRIMIDIN-4-YL)OXYPROPAN-1-OL, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, ACETATE ION, ... | Authors: | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | Deposit date: | 2016-01-06 | Release date: | 2016-07-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Mth1 Substrate Recognition--an Example of Specific Promiscuity. Plos One, 11, 2016
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5FSK
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![BU of 5fsk by Molmil](/molmil-images/mine/5fsk) | MTH1 substrate recognition: Complex with 8-oxo-dGTP. | Descriptor: | 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, 8-OXO-ADENOSINE-5'-TRIPHOSPHATE, ACETATE ION | Authors: | Nissink, J.W.M, Bista, M, Breed, J, Carter, N, Embrey, K, Read, J, Phillips, C, Winter, J.J. | Deposit date: | 2016-01-06 | Release date: | 2016-07-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Mth1 Substrate Recognition--an Example of Specific Promiscuity. Plos One, 11, 2016
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1R9L
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![BU of 1r9l by Molmil](/molmil-images/mine/1r9l) | structure analysis of ProX in complex with glycine betaine | Descriptor: | Glycine betaine-binding periplasmic protein, TRIMETHYL GLYCINE, UNKNOWN ATOM OR ION | Authors: | Schiefner, A, Breed, J, Bosser, L, Kneip, S, Gade, J, Holtmann, G, Diederichs, K, Welte, W, Bremer, E. | Deposit date: | 2003-10-30 | Release date: | 2004-02-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Cation-pi Interactions as Determinants for Binding of the Compatible Solutes Glycine Betaine and Proline Betaine by the Periplasmic Ligand-binding Protein ProX from Escherichia coli J.BIOL.CHEM., 279, 2004
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5O2S
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![BU of 5o2s by Molmil](/molmil-images/mine/5o2s) | Human KRAS in complex with darpin K27 | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R. | Deposit date: | 2017-05-22 | Release date: | 2017-07-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.22 Å) | Cite: | Structural and functional characterization of a DARPin which inhibits Ras nucleotide exchange. Nat Commun, 8, 2017
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1R9Q
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![BU of 1r9q by Molmil](/molmil-images/mine/1r9q) | structure analysis of ProX in complex with proline betaine | Descriptor: | 1,1-DIMETHYL-PROLINIUM, Glycine betaine-binding periplasmic protein, UNKNOWN ATOM OR ION | Authors: | Schiefner, A, Breed, J, Bosser, L, Kneip, S, Gade, J, Holtmann, G, Diederichs, K, Welte, W, Bremer, E. | Deposit date: | 2003-10-30 | Release date: | 2004-02-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Cation-pi Interactions as Determinants for Binding of the Compatible Solutes Glycine Betaine and Proline Betaine by the Periplasmic Ligand-binding Protein ProX from Escherichia coli J.BIOL.CHEM., 279, 2004
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2H8H
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![BU of 2h8h by Molmil](/molmil-images/mine/2h8h) | Src kinase in complex with a quinazoline inhibitor | Descriptor: | N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE, Proto-oncogene tyrosine-protein kinase Src | Authors: | Otterbein, L.R, Norman, R, Pauptit, R.A, Rowsell, S, Breed, J. | Deposit date: | 2006-06-07 | Release date: | 2006-11-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5- (tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine, a novel, highly selective, orally available, dual-specific c-Src/Abl kinase inhibitor. J.Med.Chem., 49, 2006
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5O2T
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![BU of 5o2t by Molmil](/molmil-images/mine/5o2t) | Human KRAS in complex with darpin K27 | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION, ... | Authors: | Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R. | Deposit date: | 2017-05-22 | Release date: | 2017-07-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural and functional characterization of a DARPin which inhibits Ras nucleotide exchange. Nat Commun, 8, 2017
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4CDD
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![BU of 4cdd by Molmil](/molmil-images/mine/4cdd) | Human DPP1 in complex with (2S)-N-((1S)-1-cyano-2-(4-(4-cyanophenyl) phenyl)ethyl)piperidine-2-carboxamide | Descriptor: | (2S)-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]PIPERIDINE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | Deposit date: | 2013-10-31 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate. J.Med.Chem., 57, 2014
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4CDE
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![BU of 4cde by Molmil](/molmil-images/mine/4cde) | Human DPP1 in complex with 4-amino-N-((1S)-1-cyano-2-(4-(4- cyanophenyl)phenyl)ethyl)tetrahydropyran-4-carboxamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE, CHLORIDE ION, ... | Authors: | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | Deposit date: | 2013-10-31 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate. J.Med.Chem., 57, 2014
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4CDC
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![BU of 4cdc by Molmil](/molmil-images/mine/4cdc) | Human DPP1 in complex with (2S)-2-amino-N-((1S)-1-cyano-2-(4- phenylphenyl)ethyl)butanamide | Descriptor: | (2S)-2-azanyl-N-[(2S)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | Deposit date: | 2013-10-31 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate. J.Med.Chem., 57, 2014
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4CDF
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![BU of 4cdf by Molmil](/molmil-images/mine/4cdf) | Human DPP1 in complex with (2S,4S)-N-((1S)-1-cyano-2-(4-(4- cyanophenyl)phenyl)ethyl)-4-hydroxy-piperidine-2-carboxamide | Descriptor: | (2S,4S)-N-[(2S)-1-azanylidene-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-piperidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | Deposit date: | 2013-10-31 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate. J.Med.Chem., 57, 2014
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4AA7
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![BU of 4aa7 by Molmil](/molmil-images/mine/4aa7) | E.coli GlmU in complex with an antibacterial inhibitor | Descriptor: | BIFUNCTIONAL PROTEIN GLMU, N-(2,4-dimethoxy-5-{[(2R)-2-methyl-2,3-dihydro-1H-indol-1-yl]sulfonyl}phenyl)acetamide, SULFATE ION | Authors: | Otterbein, L, Breed, J, Ogg, D.J. | Deposit date: | 2011-11-30 | Release date: | 2012-08-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series. Bioorg.Med.Chem.Lett., 22, 2012
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4AAW
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![BU of 4aaw by Molmil](/molmil-images/mine/4aaw) | S.pneumoniae GlmU in complex with an antibacterial inhibitor | Descriptor: | 4-{[1-(2-{[({5-[(3-carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)piperidin-4-yl]methoxy}-4-oxobutanoic acid, BIFUNCTIONAL PROTEIN GLMU, SULFATE ION | Authors: | Otterbein, L, Breed, J, Ogg, D.J. | Deposit date: | 2011-12-05 | Release date: | 2012-02-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series. Bioorg.Med.Chem.Lett., 22, 2012
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4AC3
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![BU of 4ac3 by Molmil](/molmil-images/mine/4ac3) | S.pneumoniae GlmU in complex with an antibacterial inhibitor | Descriptor: | BIFUNCTIONAL PROTEIN GLMU, N-{2,4-DIMETHOXY-5-[(2-PIPERIDIN-1-YLBENZYL)sulfamoyl]phenyl}acetamide, SULFATE ION | Authors: | Otterbein, L, Breed, J, Ogg, D.J. | Deposit date: | 2011-12-12 | Release date: | 2012-02-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series. Bioorg.Med.Chem.Lett., 22, 2012
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5O4A
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![BU of 5o4a by Molmil](/molmil-images/mine/5o4a) | Human FGF in complex with a covalent inhibitor | Descriptor: | Fibroblast growth factor receptor 1, GLYCEROL, SULFATE ION, ... | Authors: | Debreczeni, J, Breed, J, Mukherjee, H, Aquila, B, Kaiser, C, Tentarelli, S, Whitty, A, Grimster, N. | Deposit date: | 2017-05-26 | Release date: | 2018-02-07 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | A study of the reactivity of S(VI)-F containing warheads with nucleophilic amino-acid side chains under physiological conditions. Org. Biomol. Chem., 15, 2017
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5O49
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![BU of 5o49 by Molmil](/molmil-images/mine/5o49) | Human FGF in complex with a covalent inhibitor | Descriptor: | Fibroblast growth factor receptor 1, SULFATE ION, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoate | Authors: | Debreczeni, J, Breed, J, Mukherjee, H, Aquila, B, Kaiser, C, Tentarelli, S, Whitty, A, Grimster, N. | Deposit date: | 2017-05-26 | Release date: | 2018-02-07 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | A study of the reactivity of S(VI)-F containing warheads with nucleophilic amino-acid side chains under physiological conditions. Org. Biomol. Chem., 15, 2017
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1G29
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![BU of 1g29 by Molmil](/molmil-images/mine/1g29) | MALK | Descriptor: | 1,4-DIETHYLENE DIOXIDE, AMMONIUM ION, CHLORIDE ION, ... | Authors: | Diederichs, K, Diez, J, Greller, G, Mueller, C, Breed, J, Schnell, C, Vonrhein, C, Boos, W, Welte, W. | Deposit date: | 2000-10-18 | Release date: | 2000-12-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of MalK, the ATPase subunit of the trehalose/maltose ABC transporter of the archaeon Thermococcus litoralis. EMBO J., 19, 2000
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2B4M
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![BU of 2b4m by Molmil](/molmil-images/mine/2b4m) | Crystal structure of the binding protein OpuAC in complex with proline betaine | Descriptor: | 1,1-DIMETHYL-PROLINIUM, Glycine betaine-binding protein | Authors: | Horn, C, Sohn-Boesser, L, Breed, J, Welte, W, Schmitt, L, Bremer, E. | Deposit date: | 2005-09-26 | Release date: | 2006-03-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular Determinants for Substrate Specificity of the Ligand-binding Protein OpuAC from Bacillus subtilis for the Compatible Solutes Glycine Betaine and Proline Betaine. J.Mol.Biol., 357, 2006
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2B4L
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![BU of 2b4l by Molmil](/molmil-images/mine/2b4l) | Crystal structure of the binding protein OpuAC in complex with glycine betaine | Descriptor: | 1,2-ETHANEDIOL, Glycine betaine-binding protein, TRIMETHYL GLYCINE | Authors: | Horn, C, Sohn-Boesser, L, Breed, J, Welte, W, Schmitt, L, Bremer, E. | Deposit date: | 2005-09-26 | Release date: | 2006-03-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular Determinants for Substrate Specificity of the Ligand-binding Protein OpuAC from Bacillus subtilis for the Compatible Solutes Glycine Betaine and Proline Betaine. J.Mol.Biol., 357, 2006
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3LZC
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![BU of 3lzc by Molmil](/molmil-images/mine/3lzc) | Crystal structure of Dph2 from Pyrococcus horikoshii | Descriptor: | Dph2 | Authors: | Zhang, Y, Zhu, X, Torelli, A.T, Lee, M, Dzikovski, B, Koralewski, R.M, Wang, E, Freed, J, Krebs, C, Lin, H, Ealick, S.E. | Deposit date: | 2010-03-01 | Release date: | 2010-06-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.261 Å) | Cite: | Diphthamide biosynthesis requires an organic radical generated by an iron-sulphur enzyme. Nature, 465, 2010
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1AU6
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![BU of 1au6 by Molmil](/molmil-images/mine/1au6) | SOLUTION STRUCTURE OF DNA D(CATGCATG) INTERSTRAND-CROSSLINKED BY BISPLATIN COMPOUND (1,1/T,T), NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | BIS(TRANS-PLATINUM ETHYLENEDIAMINE DIAMINE CHLORO)COMPLEX, DNA (5'-D(*CP*AP*TP*GP*CP*AP*TP*G)-3') | Authors: | Yang, D, Van Boom, S.S.G.E, Reedijk, J, Van Boom, J.H, Farrell, N, Wang, A.H.-J. | Deposit date: | 1997-09-11 | Release date: | 1998-02-25 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A novel DNA structure induced by the anticancer bisplatinum compound crosslinked to a GpC site in DNA. Nat.Struct.Biol., 2, 1995
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1AU5
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![BU of 1au5 by Molmil](/molmil-images/mine/1au5) | SOLUTION STRUCTURE OF INTRASTRAND CISPLATIN-CROSSLINKED DNA OCTAMER D(CCTG*G*TCC):D(GGACCAGG), NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | Cisplatin, DNA (5'-D(*CP*CP*TP*GP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*CP*AP*GP*G)-3') | Authors: | Yang, D, Van Boom, S.S.G.E, Reedijk, J, Van Boom, J.H, Wang, A.H.-J. | Deposit date: | 1997-09-11 | Release date: | 1998-02-25 | Last modified: | 2024-04-10 | Method: | SOLUTION NMR | Cite: | Structure and isomerization of an intrastrand cisplatin-cross-linked octamer DNA duplex by NMR analysis. Biochemistry, 34, 1995
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5EW8
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![BU of 5ew8 by Molmil](/molmil-images/mine/5ew8) | FIBROBLAST GROWTH FACTOR RECEPTOR 1 IN COMPLEX WITH JNJ-4275693 | Descriptor: | Fibroblast growth factor receptor 1, SULFATE ION, ~{N}'-(3,5-dimethoxyphenyl)-~{N}'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-~{N}-propan-2-yl-ethane-1,2-diamine | Authors: | Ogg, D, Breed, J. | Deposit date: | 2015-11-20 | Release date: | 2016-03-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Landscape of activating cancer mutations in FGFR kinases and their differential responses to inhibitors in clinical use. Oncotarget, 7, 2016
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