6SP9
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![BU of 6sp9 by Molmil](/molmil-images/mine/6sp9) | Fragment KCL802 in complex with MAP kinase p38-alpha | 分子名称: | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, CALCIUM ION, ... | 著者 | Nichols, C.E, De Nicola, G.F. | 登録日 | 2019-08-31 | 公開日 | 2019-10-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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6SOU
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![BU of 6sou by Molmil](/molmil-images/mine/6sou) | Fragment N13565a in complex with MAP kinase p38-alpha | 分子名称: | 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone, CHLORIDE ION, Mitogen-activated protein kinase 14, ... | 著者 | Nichols, C.E, De Nicola, G.F. | 登録日 | 2019-08-29 | 公開日 | 2019-10-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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6SO4
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![BU of 6so4 by Molmil](/molmil-images/mine/6so4) | Fragment RZ132 in complex with MAP kinase p38-alpha | 分子名称: | (2~{S})-2-methyl-4-(oxetan-3-yl)-~{N}-(phenylmethyl)piperazine-2-carboxamide, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Nichols, C.E, De Nicola, G.F. | 登録日 | 2019-08-29 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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6SOD
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![BU of 6sod by Molmil](/molmil-images/mine/6sod) | Fragment N14056a in complex with MAP kinase p38-alpha | 分子名称: | 1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Nichols, C.E, De Nicola, G.F. | 登録日 | 2019-08-29 | 公開日 | 2019-10-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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3T5V
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![BU of 3t5v by Molmil](/molmil-images/mine/3t5v) | Sac3:Thp1:Sem1 complex | 分子名称: | 26S proteasome complex subunit SEM1, Nuclear mRNA export protein SAC3, Nuclear mRNA export protein THP1 | 著者 | Stewart, M, Ellisdon, A.M. | 登録日 | 2011-07-28 | 公開日 | 2012-02-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis for the assembly and nucleic acid binding of the TREX-2 transcription-export complex. Nat.Struct.Mol.Biol., 19, 2012
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6SOV
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![BU of 6sov by Molmil](/molmil-images/mine/6sov) | Fragments KCL_615 and KCL_802 in complex with MAP kinase p38-alpha | 分子名称: | (5~{S},7~{R})-3-azanyladamantan-1-ol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, ... | 著者 | Nichols, C.E, De Nicola, G.F. | 登録日 | 2019-08-30 | 公開日 | 2019-10-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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1XI1
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![BU of 1xi1 by Molmil](/molmil-images/mine/1xi1) | Phi29 DNA polymerase ssDNA complex, monoclinic crystal form | 分子名称: | 5'-D(P*TP*TP*TP*TP*T)-3', DNA polymerase, MAGNESIUM ION | 著者 | Kamtekar, S, Berman, A.J, Wang, J, Lazaro, J.M, de Vega, M, Blanco, L, Salas, M, Steitz, T.A. | 登録日 | 2004-09-21 | 公開日 | 2004-12-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Correction of X-ray intensities from single crystals containing lattice-translocation defects Acta Crystallogr.,Sect.D, 61, 2005
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8PYR
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![BU of 8pyr by Molmil](/molmil-images/mine/8pyr) | Crystal structure of the dual T-loop phosphorylated Cdk7/CycH/Mat1 complex | 分子名称: | 1,2-ETHANEDIOL, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | 著者 | Anand, K, Duster, R, Geyer, M. | 登録日 | 2023-07-26 | 公開日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural basis of Cdk7 activation by dual T-loop phosphorylation. Biorxiv, 2024
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6Q5Y
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1U6B
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![BU of 1u6b by Molmil](/molmil-images/mine/1u6b) | CRYSTAL STRUCTURE OF A SELF-SPLICING GROUP I INTRON WITH BOTH EXONS | 分子名称: | 197-MER, 5'-R(*AP*AP*GP*CP*CP*AP*CP*AP*CP*AP*AP*AP*CP*CP*AP*GP*AP*CP*GP *GP*CP*C)-3', 5'-R(*CP*AP*(5MU))-3', ... | 著者 | Adams, P.L, Stahley, M.R, Kosek, A.B, Wang, J, Strobel, S.A. | 登録日 | 2004-07-29 | 公開日 | 2004-08-10 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Crystal Structure of a Self-Splicing Group I Intron with Both Exons. Nature, 430, 2004
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4U3J
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![BU of 4u3j by Molmil](/molmil-images/mine/4u3j) | TOG2:alpha/beta-tubulin complex | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein STU2, ... | 著者 | Ayaz, P, Rice, L.M. | 登録日 | 2014-07-22 | 公開日 | 2014-08-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | A tethered delivery mechanism explains the catalytic action of a microtubule polymerase. Elife, 3, 2014
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1L2F
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![BU of 1l2f by Molmil](/molmil-images/mine/1l2f) | Crystal structure of NusA from Thermotoga maritima: a structure-based role of the N-terminal domain | 分子名称: | N utilization substance protein A | 著者 | Shin, D.H, Nguyen, H.H, Jancarik, J, Yokota, H, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | 登録日 | 2002-02-20 | 公開日 | 2003-09-23 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of NusA from Thermotoga maritima and functional implication of the N-terminal domain. Biochemistry, 42, 2003
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5FJ5
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![BU of 5fj5 by Molmil](/molmil-images/mine/5fj5) | Structure of the in vitro assembled bacteriophage phi6 polymerase complex | 分子名称: | MAJOR INNER PROTEIN P1 | 著者 | Ilca, S, Kotecha, A, Sun, X, Poranen, M.P, Stuart, D.I, Huiskonen, J.T. | 登録日 | 2015-10-06 | 公開日 | 2015-11-04 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (4.8 Å) | 主引用文献 | Localized Reconstruction of Subunits from Electron Cryomicroscopy Images of Macromolecular Complexes. Nat.Commun., 6, 2015
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8QU8
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![BU of 8qu8 by Molmil](/molmil-images/mine/8qu8) | PROTAC-mediated complex of KRAS with VHL/Elongin-B/Elongin-C/Cullin-2/Rbx1 | 分子名称: | (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Cullin-2, E3 ubiquitin-protein ligase RBX1, ... | 著者 | Fischer, G, Peter, D, Arce-Solano, S. | 登録日 | 2023-10-14 | 公開日 | 2023-12-06 | 最終更新日 | 2024-01-24 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Targeting cancer with small molecule pan-KRAS degraders Biorxiv, 2023
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7BFP
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![BU of 7bfp by Molmil](/molmil-images/mine/7bfp) | |
7BFQ
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6BW3
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![BU of 6bw3 by Molmil](/molmil-images/mine/6bw3) | Crystal structure of RBBP4 in complex with PRDM3 N-terminal peptide | 分子名称: | Histone-binding protein RBBP4, MDS1 and EVI1 complex locus protein MDS1, UNKNOWN ATOM OR ION | 著者 | Ivanochko, D, Halabelian, L, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | 登録日 | 2017-12-14 | 公開日 | 2017-12-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Direct interaction between the PRDM3 and PRDM16 tumor suppressors and the NuRD chromatin remodeling complex. Nucleic Acids Res., 47, 2019
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6BW4
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![BU of 6bw4 by Molmil](/molmil-images/mine/6bw4) | Crystal structure of RBBP4 in complex with PRDM16 N-terminal peptide | 分子名称: | Histone-binding protein RBBP4, PR domain zinc finger protein 16, UNKNOWN ATOM OR ION | 著者 | Ivanochko, D, Halabelian, L, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | 登録日 | 2017-12-14 | 公開日 | 2017-12-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Direct interaction between the PRDM3 and PRDM16 tumor suppressors and the NuRD chromatin remodeling complex. Nucleic Acids Res., 47, 2019
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4EAW
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![BU of 4eaw by Molmil](/molmil-images/mine/4eaw) | HCV NS5B in complex with IDX375 | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-{(1S)-3-[(5S)-5-tert-butyl-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1-ethoxy-1-oxido-1,4-dihydro-2,4,1-benzodiazaphosphinin-7-yl}methanesulfonamide, ... | 著者 | Dousson, C.B, Paparin, J.-L, Surleraux, D, Augustin, M, Blaesse, M, Hoeppner, S, Krapp, S, Wenzkowski, C. | 登録日 | 2012-03-22 | 公開日 | 2013-03-27 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | HCV NS5B in complex with IDX375 To be Published
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6WHM
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![BU of 6whm by Molmil](/molmil-images/mine/6whm) | The crystal structure of the 2009/H1N1/California PA endonuclease wild type bound to DNA oligomer TAGC (cleaved TTAGCATT, 5mM overnight DNA soak) | 分子名称: | DNA (5'-D(P*TP*AP*GP*C)-3'), GLYCEROL, MAGNESIUM ION, ... | 著者 | Cuypers, M.G, Kumar, G, Webb, T, White, S.W. | 登録日 | 2020-04-08 | 公開日 | 2021-02-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structural insights into the substrate specificity of the endonuclease activity of the influenza virus cap-snatching mechanism. Nucleic Acids Res., 49, 2021
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6WS3
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![BU of 6ws3 by Molmil](/molmil-images/mine/6ws3) | The crystal structure of the 2009/H1N1/California PA endonuclease wild type bound to DNA oligomers TG and AGCA (from cleaved GTGAGCAGTG) | 分子名称: | DNA (5'-D(P*TP*G)-3'), GLYCEROL, MANGANESE (II) ION, ... | 著者 | Cuypers, M.G, Kumar, G, Webb, T, White, S.W. | 登録日 | 2020-04-30 | 公開日 | 2021-02-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural insights into the substrate specificity of the endonuclease activity of the influenza virus cap-snatching mechanism. Nucleic Acids Res., 49, 2021
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8GL9
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![BU of 8gl9 by Molmil](/molmil-images/mine/8gl9) | Co-crystal structure of caPCNA bound to AOH1160 derivative 1LE | 分子名称: | CHLORIDE ION, N~2~-(naphthalene-1-carbonyl)-N-(2-phenoxyphenyl)-L-alpha-glutamine, Proliferating cell nuclear antigen | 著者 | Jossart, J, Kenjic, N, Malkas, L.H, Hickey, R.J, Perry, J.J. | 登録日 | 2023-03-21 | 公開日 | 2023-07-26 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Small molecule targeting of transcription-replication conflict for selective chemotherapy. Cell Chem Biol, 30, 2023
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8GLA
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3LK9
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![BU of 3lk9 by Molmil](/molmil-images/mine/3lk9) | DNA polymerase beta with a gapped DNA substrate and dTMP(CF2)P(CF2)P | 分子名称: | 5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl](difluoro)methyl}(hydroxy)phosphoryl]thymidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | 著者 | Zibinsky, M, Surya Prakash, G.K, Upton, T.G, Kashemirov, B.A, McKenna, C.E, Oertell, K, Goodman, M.F, Batra, V.K, Pedersen, L.C, Beard, W.A, Wilson, S.H. | 登録日 | 2010-01-27 | 公開日 | 2011-01-12 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Synthesis and biological evaluation of fluorinated deoxynucleotide analogs based on bis-(difluoromethylene)triphosphoric acid. Proc.Natl.Acad.Sci.USA, 107, 2010
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4PJO
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![BU of 4pjo by Molmil](/molmil-images/mine/4pjo) | Minimal U1 snRNP | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ETHANOL, ... | 著者 | Kondo, Y, Oubridge, C, van Roon, A.M, Nagai, K. | 登録日 | 2014-05-12 | 公開日 | 2014-12-31 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Crystal structure of human U1 snRNP, a small nuclear ribonucleoprotein particle, reveals the mechanism of 5' splice site recognition. Elife, 4, 2015
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