5FPO
 
 | | Structure of Bacterial DNA Ligase with small-molecule ligand 1H- indazol-7-amine (AT4213) in an alternate binding site. | | 分子名称: | 1H-indazol-7-amine, DNA LIGASE | | 著者 | Jhoti, H, Ludlow, R.F, Pathuri, P, Saini, H.K, Tickle, I.J, Tisi, D, Verdonk, M, Williams, P.A. | | 登録日 | 2015-12-02 | | 公開日 | 2015-12-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5FPY
 | | Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 5-bromo-1-methyl-1H-indole-2-carboxylic acid (AT21457) in an alternate binding site. | | 分子名称: | 5-bromo-1-methyl-1H-indole-2-carboxylic acid, SERINE PROTEASE NS3 | | 著者 | Davies, T.G, Jhoti, H, Ludlow, R.F, Saini, H.K, Tickle, I.J, Verdonk, M. | | 登録日 | 2015-12-03 | | 公開日 | 2015-12-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5FPD
 | | Structure of heat shock-related 70kDA protein 2 with small-molecule ligand pyrazine-2-carboxamide (AT513) in an alternate binding site. | | 分子名称: | HEAT SHOCK-RELATED 70KDA PROTEIN 2, PYRAZINE-2-CARBOXAMIDE | | 著者 | Jhoti, H, Ludlow, R.F, Patel, S, Saini, H.K, Tickle, I.J, Verdonk, M. | | 登録日 | 2015-11-28 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
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1KQ1
 | | 1.55 A Crystal structure of the pleiotropic translational regulator, Hfq | | 分子名称: | ACETIC ACID, Host Factor for Q beta | | 著者 | Schumacher, M.A, Pearson, R.F, Moller, T, Valentin-Hansen, P, Brennan, R.G. | | 登録日 | 2002-01-03 | | 公開日 | 2002-07-10 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structures of the pleiotropic translational regulator Hfq and an Hfq-RNA complex: a bacterial Sm-like protein.
EMBO J., 21, 2002
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5FPM
 | | Structure of heat shock-related 70kDA protein 2 with small-molecule ligand 5-phenyl-1,3,4-oxadiazole-2-thiol (AT809) in an alternate binding site. | | 分子名称: | 5-PHENYL-1,3,4-OXADIAZOLE-2-THIOL, HEAT SHOCK-RELATED 70KDA PROTEIN 2 | | 著者 | Jhoti, H, Ludlow, R.F, Patel, S, Saini, H.K, Tickle, I.J, Verdonk, M. | | 登録日 | 2015-12-02 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5FUA
 | | Cryo-EM of BK polyomavirus | | 分子名称: | MAJOR CAPSID PROTEIN VP1 | | 著者 | Hurdiss, D.L, Morgan, E.L, Thompson, R.F, Prescott, E.L, Panou, M.M, Macdonald, A, Ranson, N.A. | | 登録日 | 2016-01-22 | | 公開日 | 2016-04-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (7.6 Å) | | 主引用文献 | New Structural Insights Into the Genome and Minor Capsid Proteins of Bk Polyomavirus Using Cryo-Electron Microscopy.
Structure, 24, 2016
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5FP5
 | | Structure of cyclin-dependent kinase 2 with small-molecule ligand 4- fluorobenzoic acid (AT222) in an alternate binding site. | | 分子名称: | 4-fluorobenzoic acid, ACETYL GROUP, CYCLIN-DEPENDENT KINASE 2 | | 著者 | Jhoti, H, Ludlow, R.F, O'Reilly, M, Saini, H.K, Tickle, I.J, Verdonk, M. | | 登録日 | 2015-11-27 | | 公開日 | 2015-12-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5FP6
 | | Structure of cyclin-dependent kinase 2 with small-molecule ligand 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol (AT17833) in an alternate binding site. | | 分子名称: | 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol, CYCLIN-DEPENDENT KINASE 2 | | 著者 | Jhoti, H, Ludlow, R.F, O'Reilly, M, Saini, H.K, Tickle, I.J, Verdonk, M. | | 登録日 | 2015-11-27 | | 公開日 | 2015-12-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
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1PW1
 | | Non-Covalent Complex Of Streptomyces R61 DD-Peptidase With A Highly Specific Penicillin | | 分子名称: | (2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE, D-alanyl-D-alanine carboxypeptidase, FORMYL GROUP, ... | | 著者 | Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A. | | 登録日 | 2003-06-30 | | 公開日 | 2004-07-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
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5FPR
 | | Structure of Bacterial DNA Ligase with small-molecule ligand pyrimidin-2-amine (AT371) in an alternate binding site. | | 分子名称: | DNA LIGASE, PYRIMIDIN-2-AMINE, SULFATE ION | | 著者 | Jhoti, H, Ludlow, R.F, Pathuri, P, Saini, H.K, Tickle, I.J, Tisi, D, Verdonk, M, Williams, P.A. | | 登録日 | 2015-12-02 | | 公開日 | 2015-12-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
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1OSG
 | | Complex between BAFF and a BR3 derived peptide presented in a beta-hairpin scaffold | | 分子名称: | BR3 derived PEPTIDE, MAGNESIUM ION, Tumor necrosis factor ligand superfamily member 13B | | 著者 | Gordon, N.C, Pan, B, Hymowitz, S.G, Yin, J.P, Kelley, R.F, Cochran, A.G, Yan, M, Dixit, V.M, Fairbrother, W.J, Starovasnik, M.A. | | 登録日 | 2003-03-19 | | 公開日 | 2003-05-27 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | BAFF/BLyS receptor 3 comprises a minimal TNF receptor-like module that encodes a highly focused ligand-binding site
Biochemistry, 42, 2003
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5FPS
 | | Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 3-aminobenzene-1,2-dicarboxylic acid (AT1246) in an alternate binding site. | | 分子名称: | 3-AMINOBENZENE-1,2-DICARBOXYLIC ACID, HEPATITIS C VIRUS FULL-LENGTH NS3 COMPLEX | | 著者 | Jhoti, H, Ludlow, R.F, Saini, H.K, Tickle, I.J, Verdonk, M, Williams, P.A. | | 登録日 | 2015-12-02 | | 公開日 | 2015-12-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
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1PWG
 | | Covalent Penicilloyl Acyl Enzyme Complex Of The Streptomyces R61 DD-Peptidase With A Highly Specific Penicillin | | 分子名称: | (2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, D-alanyl-D-alanine carboxypeptidase | | 著者 | Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A. | | 登録日 | 2003-07-01 | | 公開日 | 2004-07-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.074 Å) | | 主引用文献 | Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
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1K6Q
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1PW8
 | | Covalent Acyl Enzyme Complex Of The R61 DD-Peptidase with A Highly Specific Cephalosporin | | 分子名称: | (6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6S)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCTANE-2-CARBOXYLATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL | | 著者 | Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A. | | 登録日 | 2003-07-01 | | 公開日 | 2004-07-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
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1JPT
 | | Crystal Structure of Fab D3H44 | | 分子名称: | immunoglobulin Fab D3H44, heavy chain, immunoglobulin Fab D3h44, ... | | 著者 | Faelber, K, Kirchhofer, D, Presta, L, Kelley, R.F, Muller, Y.A. | | 登録日 | 2001-08-03 | | 公開日 | 2002-02-03 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | The 1.85 A resolution crystal structures of tissue factor in complex with humanized Fab D3h44 and of free humanized Fab D3h44: revisiting the solvation of antigen combining sites.
J.Mol.Biol., 313, 2001
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1JPS
 | | Crystal structure of tissue factor in complex with humanized Fab D3h44 | | 分子名称: | immunoglobulin Fab D3H44, heavy chain, light chain, ... | | 著者 | Faelber, K, Kirchhofer, D, Presta, L, Kelley, R.F, Muller, Y.A. | | 登録日 | 2001-08-03 | | 公開日 | 2002-02-03 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | The 1.85 A resolution crystal structures of tissue factor in complex with humanized Fab D3h44 and of free humanized Fab D3h44: revisiting the solvation of antigen combining sites.
J.Mol.Biol., 313, 2001
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5FPN
 | | Structure of heat shock-related 70kDA protein 2 with small-molecule ligand 3,5-dimethyl-1H-pyrazole-4-carboxylic acid (AT9084) in an alternate binding site. | | 分子名称: | 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID, HEAT SHOCK-RELATED 70 KDA PROTEIN 2 | | 著者 | Jhoti, H, Ludlow, R.F, Patel, S, Saini, H.K, Tickle, I.J, Verdonk, M. | | 登録日 | 2015-12-02 | | 公開日 | 2015-12-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
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1M1J
 | | Crystal structure of native chicken fibrinogen with two different bound ligands | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Yang, Z, Kollman, J.M, Pandi, L, Doolittle, R.F. | | 登録日 | 2002-06-19 | | 公開日 | 2002-06-26 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal Structure of Native Chicken Fibrinogen at 2.7 A Resolution
Biochemistry, 40, 2001
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1PWC
 | | penicilloyl acyl enzyme complex of the Streptomyces R61 DD-peptidase with penicillin G | | 分子名称: | D-alanyl-D-alanine carboxypeptidase, OPEN FORM - PENICILLIN G | | 著者 | Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A. | | 登録日 | 2003-07-01 | | 公開日 | 2004-07-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
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1IIP
 | | Bovine Cyclophilin 40, Tetragonal Form | | 分子名称: | Cyclophilin 40, GLYCEROL | | 著者 | Taylor, P, Dornan, J, Carrello, A, Minchin, R.F, Ratajczak, T, Walkinshaw, M.D. | | 登録日 | 2001-04-24 | | 公開日 | 2001-05-16 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Two structures of cyclophilin 40: folding and fidelity in the TPR domains.
Structure, 9, 2001
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1N8E
 | | Fragment Double-D from Human Fibrin | | 分子名称: | Fibrin alpha/alpha-E chain, Fibrin beta chain, Fibrin gamma chain | | 著者 | Yang, Z, Pandi, L, Doolittle, R.F. | | 登録日 | 2002-11-20 | | 公開日 | 2003-01-07 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (4.5 Å) | | 主引用文献 | The Crystal Structure of Fragment Double-D from Cross-Linked Lamprey Fibrin Reveals Isopeptide Linkages across an Unexpected D-D Interface
Biochemistry, 41, 2002
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1N73
 | | Fibrin D-Dimer, Lamprey complexed with the PEPTIDE LIGAND: GLY-HIS-ARG-PRO-AMIDE | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fibrin alpha-1 chain, ... | | 著者 | Yang, Z, Pandi, L, Doolittle, R.F. | | 登録日 | 2002-11-12 | | 公開日 | 2003-01-07 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | The Crystal structure of fragment double-D from cross-linked lamprey fibrin reveals isopeptide linkages across an unexpected D-D interface
Biochemistry, 41, 2002
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1KQ2
 | | Crystal Structure of an Hfq-RNA Complex | | 分子名称: | 5'-R(*AP*UP*UP*UP*UP*UP*G)-3', Host factor for Q beta | | 著者 | Schumacher, M.A, Pearson, R.F, Moller, T, Valentin-Hansen, P, Brennan, R.G. | | 登録日 | 2002-01-03 | | 公開日 | 2002-07-05 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Structures of the pleiotropic translational regulator Hfq and an Hfq-RNA complex: a bacterial Sm-like protein.
EMBO J., 21, 2002
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1LWU
 | | Crystal structure of fragment D from lamprey fibrinogen complexed with the peptide Gly-His-Arg-Pro-amide | | 分子名称: | 2-acetamido-2-deoxy-alpha-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 | Yang, Z, Spraggon, G, Pandi, L, Everse, S.J, Riley, M, Doolittle, R.F. | | 登録日 | 2002-06-03 | | 公開日 | 2002-08-23 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal structure of fragment D from lamprey fibrinogen complexed with the peptide Gly-His-Arg-Pro-amide.
Biochemistry, 41, 2002
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