5KYK
| Covalent GTP-competitive inhibitors of KRAS G12C: Guanosine bisphosphonate Analogs | 分子名称: | 5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine, GTPase KRas | 著者 | Xiong, Y, Lu, J, Hunter, J, Li, L, Scott, D, Manandhar, A, Gondi, S, Westover, K.D, Gray, N.S. | 登録日 | 2016-07-21 | 公開日 | 2017-04-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.702 Å) | 主引用文献 | Covalent Guanosine Mimetic Inhibitors of G12C KRAS. ACS Med Chem Lett, 8, 2017
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6V4T
| MPER-TMD of HIV-1 Env bound with the entry inhibitor S2C3 | 分子名称: | 4,4'-(decane-1,10-diyl)bis(9-amino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium), Envelope glycoprotein gp160 | 著者 | Xiao, T, Frey, G, Fu, Q, Lavine, C.L, Scott, D.A, Seaman, M.S, Chou, J.J, Chen, B. | 登録日 | 2019-11-30 | 公開日 | 2020-04-01 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | HIV-1 fusion inhibitors targeting the membrane-proximal external region of Env spikes. Nat.Chem.Biol., 16, 2020
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1ODT
| cephalosporin C deacetylase mutated, in complex with acetate | 分子名称: | ACETATE ION, CEPHALOSPORIN C DEACETYLASE | 著者 | Vincent, F, Charnock, S.J, Verschueren, K.H.G, Turkenburg, J.P, Scott, D.J, Offen, W.A, Roberts, S, Pell, G, Gilbert, H.J, Brannigan, J.A, Davies, G.J. | 登録日 | 2003-02-20 | 公開日 | 2003-07-10 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Multifunctional Xylooligosaccharide/Cephalosporin C Deacetylase Revealed by the Hexameric Structure of the Bacillus Subtilis Enzyme at 1.9A Resolution J.Mol.Biol., 330, 2003
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1JV2
| CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN ALPHAVBETA3 | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Xiong, J.P, Stehle, T, Diefenbach, B, Zhang, R, Dunker, R, Scott, D, Joachimiak, A, Goodman, S.L, Arnaout, M.A. | 登録日 | 2001-08-28 | 公開日 | 2001-10-17 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Crystal structure of the extracellular segment of integrin alpha Vbeta3. Science, 294, 2001
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3DQV
| Structural Insights into NEDD8 Activation of Cullin-RING Ligases: Conformational Control of Conjugation | 分子名称: | Cullin-5, NEDD8, Rbx1, ... | 著者 | Duda, D.M, Borg, L.A, Scott, D.C, Hunt, H.W, Hammel, M, Schulman, B.A. | 登録日 | 2008-07-09 | 公開日 | 2008-09-30 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural insights into NEDD8 activation of cullin-RING ligases: conformational control of conjugation. Cell(Cambridge,Mass.), 134, 2008
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3RTR
| A RING E3-substrate complex poised for ubiquitin-like protein transfer: structural insights into cullin-RING ligases | 分子名称: | Cullin-1, E3 ubiquitin-protein ligase RBX1, ZINC ION | 著者 | Calabrese, M.F, Scott, D.C, Duda, D.M, Grace, C.R, Kurinov, I, Kriwacki, R.W, Schulman, B.A. | 登録日 | 2011-05-03 | 公開日 | 2011-07-20 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.21 Å) | 主引用文献 | A RING E3-substrate complex poised for ubiquitin-like protein transfer: structural insights into cullin-RING ligases. Nat.Struct.Mol.Biol., 18, 2011
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8BWV
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3FN1
| E2-RING expansion of the NEDD8 cascade confers specificity to cullin modification. | 分子名称: | NEDD8-activating enzyme E1 catalytic subunit, NEDD8-conjugating enzyme UBE2F | 著者 | Huang, D.T, Ayrault, O, Hunt, H.W, Taherbhoy, A.M, Duda, D.M, Scott, D.C, Borg, L.A, Neale, G, Murray, P.J, Roussel, M.F, Schulman, B.A. | 登録日 | 2008-12-22 | 公開日 | 2009-03-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | E2-RING expansion of the NEDD8 cascade confers specificity to cullin modification Mol.Cell, 33, 2009
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1UIU
| Crystal structures of the liganded and unliganded nickel binding protein NikA from Escherichia coli (Nickel unliganded form) | 分子名称: | Nickel-binding periplasmic protein | 著者 | Heddle, J, Scott, D.J, Unzai, S, Park, S.-Y, Tame, J.R.H. | 登録日 | 2003-07-22 | 公開日 | 2004-02-03 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Crystal structures of the liganded and unliganded nickel-binding protein NikA from Escherichia coli J.Biol.Chem., 278, 2003
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1UIV
| Crystal structures of the liganded and unliganded nickel binding protein NikA from Escherichia coli (Nickel liganded form) | 分子名称: | NICKEL (II) ION, Nickel-binding periplasmic protein | 著者 | Heddle, J, Scott, D.J, Unzai, S, Park, S.-Y, Tame, J.R.H. | 登録日 | 2003-07-22 | 公開日 | 2004-02-03 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal structures of the liganded and unliganded nickel-binding protein NikA from Escherichia coli J.Biol.Chem., 278, 2003
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1Y2O
| Structure of N-terminal domain IRSp53/BAIAP2 | 分子名称: | BAI1-associated protein 2 isoform 1 | 著者 | Millard, T.H, Bompard, G, Heung, M.-Y, Dafforn, T.R, Scott, D.J, Machesky, L.M, Futterer, K. | 登録日 | 2004-11-23 | 公開日 | 2005-02-15 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural basis of filopodia formation induced by the IRSp53/MIM homology domain of human IRSp53 Embo J., 24, 2005
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1BMP
| BONE MORPHOGENETIC PROTEIN-7 | 分子名称: | BONE MORPHOGENETIC PROTEIN-7 | 著者 | Griffith, D.L, Scott, D.L. | 登録日 | 1995-12-14 | 公開日 | 1997-07-23 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Three-dimensional structure of recombinant human osteogenic protein 1: structural paradigm for the transforming growth factor beta superfamily. Proc.Natl.Acad.Sci.USA, 93, 1996
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1LIJ
| STRUCTURE OF T. GONDII ADENOSINE KINASE BOUND TO PRODRUG 2 7-IODOTUBERCIDIN AND AMP-PCP | 分子名称: | 2-RIBOFURANOSYL-3-IODO-2,3-DIHYDRO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Schumacher, M.A, Scott, D.M, Mathews, I.I, Ealick, S.E, Roos, D.S, Ullman, B, Brennan, R.G. | 登録日 | 2002-04-17 | 公開日 | 2002-05-15 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Crystal structures of Toxoplasma gondii adenosine kinase reveal a novel catalytic mechanism and prodrug binding. J.Mol.Biol., 298, 2000
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2N5G
| NMR structure of KorA, a plasmid-encoded, global transcription regulator KorA | 分子名称: | TrfB transcriptional repressor protein | 著者 | Rajasekar, K.V, Lovering, A.L, Dancea, F.V, Scott, D.J, Harris, S, Bingle, L.E, Roessle, M, Thomas, C.M, Hyde, E.I, White, S.A. | 登録日 | 2015-07-17 | 公開日 | 2016-07-20 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Flexibility of KorA, a plasmid-encoded, global transcription regulator, in the presence and the absence of its operator. Nucleic Acids Res., 44, 2016
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6BG5
| Structure of 1-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)urea bound to DCN1 | 分子名称: | Endolysin, DCN1-like protein 1 chimera, N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-propylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea | 著者 | Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. | 登録日 | 2017-10-27 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation. J. Med. Chem., 61, 2018
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7KWA
| Structure of DCN1 bound to N-((4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-(trifluoromethyl)benzamide | 分子名称: | Endolysin,DCN1-like protein 1, N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide | 著者 | Kim, H.S, Hammill, J.T, Schulman, B.A, Guy, R.K, Scott, D.C. | 登録日 | 2020-11-30 | 公開日 | 2021-07-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.572 Å) | 主引用文献 | Improvement of Oral Bioavailability of Pyrazolo-Pyridone Inhibitors of the Interaction of DCN1/2 and UBE2M. J.Med.Chem., 64, 2021
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5A7G
| Comparison of the structure and activity of glycosylated and aglycosylated Human Carboxylesterase 1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LIVER CARBOXYLESTERASE 1 | 著者 | Arena de Souza, V, Scott, D.J, Charlton, M, Walsh, M.A, Owen, R.J. | 登録日 | 2015-07-04 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Comparison of the Structure and Activity of Glycosylated and Aglycosylated Human Carboxylesterase 1. Plos One, 10, 2015
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5A7F
| Comparison of the structure and activity of glycosylated and aglycosylated Human Carboxylesterase 1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LIVER CARBOXYLESTERASE 1, PHOSPHATE ION | 著者 | Arena de Souza, V, Scott, D.J, Charlton, M, Walsh, M.A, Owen, R.J. | 登録日 | 2015-07-03 | 公開日 | 2016-01-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Comparison of the Structure and Activity of Glycosylated and Aglycosylated Human Carboxylesterase 1. Plos One, 10, 2015
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1LIK
| STRUCTURE OF T. GONDII ADENOSINE KINASE BOUND TO ADENOSINE | 分子名称: | ADENOSINE, CHLORIDE ION, SULFATE ION, ... | 著者 | Schumacher, M.A, Scott, D.M, Mathews, I.I, Ealick, S.E, Roos, D.S, Ullman, B, Brennan, R.G. | 登録日 | 2002-04-17 | 公開日 | 2002-05-15 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Crystal structures of Toxoplasma gondii adenosine kinase reveal a novel catalytic mechanism and prodrug binding. J.Mol.Biol., 298, 2000
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1LII
| STRUCTURE OF T. GONDII ADENOSINE KINASE BOUND TO ADENOSINE 2 AND AMP-PCP | 分子名称: | ADENOSINE, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Schumacher, M.A, Scott, D.M, Mathews, I.I, Ealick, S.E, Roos, D.S, Ullman, B, Brennan, R.G. | 登録日 | 2002-04-17 | 公開日 | 2002-05-15 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Crystal structures of Toxoplasma gondii adenosine kinase reveal a novel catalytic mechanism and prodrug binding. J.Mol.Biol., 298, 2000
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5CX8
| Structure of RagB, a major immunodominant virulence factor of Porphyromonas gingivalis. | 分子名称: | 3-deoxy-5-O-phosphono-beta-D-ribofuranose, 3-deoxy-beta-D-glucopyranose, 6-O-phosphono-D-tagatose, ... | 著者 | Goulas, T, Garcia-Ferrer, I, Hutcherson, J.A, Potempa, B.A, Potempa, J, Scott, D.A, Gomis-Ruth, F.X. | 登録日 | 2015-07-28 | 公開日 | 2015-10-21 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure of RagB, a major immunodominant outer-membrane surface receptor antigen of Porphyromonas gingivalis. Mol Oral Microbiol, 31, 2016
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6BG3
| Structure of (3S,4S)-1-benzyl-4-(3-(3-(trifluoromethyl)phenyl)ureido)piperidin-3-yl acetate bound to DCN1 | 分子名称: | Endolysin, DCN1-like protein 1 chimera, N-{(3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethoxy]piperidin-4-yl}-N'-[3-(trifluoromethyl)phenyl]urea | 著者 | Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. | 登録日 | 2017-10-27 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation. J. Med. Chem., 61, 2018
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1ODS
| Cephalosporin C deacetylase from Bacillus subtilis | 分子名称: | CEPHALOSPORIN C DEACETYLASE, CHLORIDE ION, MAGNESIUM ION | 著者 | Vincent, F, Charnock, S.J, Verschueren, K.H.G, Turkenburg, J.P, Scott, D.J, Offen, W.A, Roberts, S, Pell, G, Gilbert, H.J, Brannigan, J.A, Davies, G.J. | 登録日 | 2003-02-20 | 公開日 | 2003-07-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Multifunctional Xylooligosaccharide/Cephalosporin C Deacetylase Revealed by the Hexameric Structure of the Bacillus Subtilis Enzyme at 1.9A Resolution J.Mol.Biol., 330, 2003
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3IOC
| Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.50 Ang resolution in complex with 5'-deoxy-5'-(benzyldisulfanyl)-adenosine | 分子名称: | (2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydrofuran-3,4-diol, GLYCEROL, Pantothenate synthetase | 著者 | Ciulli, A, Scott, D.E, Abell, C. | 登録日 | 2009-08-14 | 公開日 | 2009-12-01 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A Fragment-Based Approach to Probing Adenosine Recognition Sites by Using Dynamic Combinatorial Chemistry Chembiochem, 10, 2009
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1LIO
| STRUCTURE OF APO T. GONDII ADENOSINE KINASE | 分子名称: | adenosine kinase | 著者 | Schumacher, M.A, Scott, D.M, Mathews, I.I, Ealick, S.E, Brennan, R.G. | 登録日 | 2002-04-17 | 公開日 | 2002-06-12 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structures of Toxoplasma gondii adenosine kinase reveal a novel catalytic mechanism and prodrug binding. J.Mol.Biol., 298, 2000
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