2BQ2
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![BU of 2bq2 by Molmil](/molmil-images/mine/2bq2) | Solution Structure of the DNA Duplex ACGCGU-NA with a 2' Amido-Linked Nalidixic Acid Residue at the 3' Terminal Nucleotide | 分子名称: | 5'-D(*AP*CP*GP*CP*GP*2AU)-3', NALIDIXIC ACID | 著者 | Siegmund, K, Maheshwary, S, Narayanan, S, Connors, W, Richert, M. | 登録日 | 2005-04-26 | 公開日 | 2006-08-03 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Molecular details of quinolone-DNA interactions: solution structure of an unusually stable DNA duplex with covalently linked nalidixic acid residues and non-covalent complexes derived from it. Nucleic Acids Res., 33, 2005
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7F5Y
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![BU of 7f5y by Molmil](/molmil-images/mine/7f5y) | Crystal structure of the single-stranded dna-binding protein from Mycobacterium tuberculosis- Form III | 分子名称: | FORMIC ACID, Single-stranded DNA-binding protein | 著者 | Srikalaivani, R, Paul, A, Sriram, R, Narayanan, S, Gopal, B, Vijayan, M. | 登録日 | 2021-06-23 | 公開日 | 2022-05-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structural variability of Mycobacterium tuberculosis SSB and susceptibility to inhibition. Curr.Sci., 122, 2022
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7F5Z
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![BU of 7f5z by Molmil](/molmil-images/mine/7f5z) | Crystal structure of the single-stranded dna-binding protein from Mycobacterium tuberculosis- Form III | 分子名称: | Single-stranded DNA-binding protein | 著者 | Srikalaivani, R, Paul, A, Sriram, R, Narayanan, S, Gopal, B, Vijayan, M. | 登録日 | 2021-06-23 | 公開日 | 2022-05-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural variability of Mycobacterium tuberculosis SSB and susceptibility to inhibition. Curr.Sci., 122, 2022
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4UVD
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![BU of 4uvd by Molmil](/molmil-images/mine/4uvd) | Discovery of pyrimidine isoxazoles InhA in complex with compound 6 | 分子名称: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[(2Z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3H)-ylidene]acetamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | 登録日 | 2014-08-05 | 公開日 | 2015-09-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
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4UVE
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![BU of 4uve by Molmil](/molmil-images/mine/4uve) | Discovery of pyrimidine isoxazoles InhA in complex with compound 9 | 分子名称: | 2-(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYLETHANOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | 登録日 | 2014-08-05 | 公開日 | 2015-09-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
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4UVG
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![BU of 4uvg by Molmil](/molmil-images/mine/4uvg) | Discovery of pyrimidine isoxazoles InhA in complex with compound 15 | 分子名称: | 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | 登録日 | 2014-08-05 | 公開日 | 2015-09-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
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4UVI
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![BU of 4uvi by Molmil](/molmil-images/mine/4uvi) | Discovery of pyrimidine isoxazoles InhA in complex with compound 23 | 分子名称: | 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | 登録日 | 2014-08-05 | 公開日 | 2015-09-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
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4UVH
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![BU of 4uvh by Molmil](/molmil-images/mine/4uvh) | Discovery of pyrimidine isoxazoles InhA in complex with compound 10 | 分子名称: | ACETATE ION, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-(1,3-BENZOTHIAZOL-2-YL)ACETAMIDE, ... | 著者 | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | 登録日 | 2014-08-05 | 公開日 | 2015-09-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
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5CF8
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![BU of 5cf8 by Molmil](/molmil-images/mine/5cf8) | CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE | 分子名称: | N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2 | 著者 | Sack, J.S. | 登録日 | 2015-07-08 | 公開日 | 2015-08-26 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of a Highly Selective JAK2 Inhibitor, BMS-911543, for the Treatment of Myeloproliferative Neoplasms. Acs Med.Chem.Lett., 6, 2015
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3TPU
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![BU of 3tpu by Molmil](/molmil-images/mine/3tpu) | 42F3 p5E8/H2-Ld complex | 分子名称: | 1,2-ETHANEDIOL, 42F3 alpha, 42F3 beta, ... | 著者 | Adams, J.J, Kranz, D.M, Garcia, K.C. | 登録日 | 2011-09-08 | 公開日 | 2011-12-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex. Immunity, 35, 2011
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3TFK
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![BU of 3tfk by Molmil](/molmil-images/mine/3tfk) | 42F3-p4B10/H2-Ld | 分子名称: | 42F3 alpha, 42F3 beta, H2-Ld SBM2, ... | 著者 | Adams, J.J, Kranz, D.M, Garcia, K.C. | 登録日 | 2011-08-15 | 公開日 | 2011-12-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.753 Å) | 主引用文献 | T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex. Immunity, 35, 2011
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3TF7
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![BU of 3tf7 by Molmil](/molmil-images/mine/3tf7) | 42F3 QL9/H2-Ld complex | 分子名称: | 42F3 Mut7 scFv (42F3 alpha chain, linker, 42F3 beta chain), ... | 著者 | Adams, J.J, Kranz, D.M, Garcia, K.C. | 登録日 | 2011-08-15 | 公開日 | 2011-12-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex. Immunity, 35, 2011
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3TJH
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![BU of 3tjh by Molmil](/molmil-images/mine/3tjh) | 42F3-p3A1/H2-Ld complex | 分子名称: | 42F3 alpha, 42F3 beta, H2-Ld SBM2, ... | 著者 | Adams, J.J, Kruse, A, Kranz, D.M, Garcia, K.C. | 登録日 | 2011-08-24 | 公開日 | 2011-12-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | T cell receptor signaling is limited by docking geometry to peptide-major histocompatibility complex. Immunity, 35, 2011
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4N0C
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![BU of 4n0c by Molmil](/molmil-images/mine/4n0c) | 42F3 TCR pCPE3/H-2Ld complex | 分子名称: | 42F3 VmCh alpha, 42F3 VmCh beta, H-2 class I histocompatibility antigen, ... | 著者 | Birnbaum, M.E, Adams, J.J, Garcia, K.C. | 登録日 | 2013-10-01 | 公開日 | 2015-08-19 | 最終更新日 | 2018-09-26 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural interplay between germline interactions and adaptive recognition determines the bandwidth of TCR-peptide-MHC cross-reactivity. Nat. Immunol., 17, 2016
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4MXQ
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![BU of 4mxq by Molmil](/molmil-images/mine/4mxq) | 42F3 TCR pCPC5/H-2Ld Complex | 分子名称: | 42F3 alpha VmVh chimera, 42F3 beta VmVh chimera, H-2 class I histocompatibility antigen, ... | 著者 | Birnbaum, M.E, Adams, J.J, Garcia, K.C. | 登録日 | 2013-09-26 | 公開日 | 2015-08-19 | 最終更新日 | 2018-09-26 | 実験手法 | X-RAY DIFFRACTION (2.596 Å) | 主引用文献 | Structural interplay between germline interactions and adaptive recognition determines the bandwidth of TCR-peptide-MHC cross-reactivity. Nat. Immunol., 17, 2016
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4MVB
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![BU of 4mvb by Molmil](/molmil-images/mine/4mvb) | 42F3 pCPB7/H-2Ld Complex | 分子名称: | 42F3 alpha VmCh, 42F3 beta VmCh, H-2 class I histocompatibility antigen, ... | 著者 | Birnbaum, M.E, Adams, J.J, Garcia, K.C. | 登録日 | 2013-09-23 | 公開日 | 2015-08-19 | 最終更新日 | 2018-09-26 | 実験手法 | X-RAY DIFFRACTION (3.088 Å) | 主引用文献 | Structural interplay between germline interactions and adaptive recognition determines the bandwidth of TCR-peptide-MHC cross-reactivity. Nat. Immunol., 17, 2016
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4N5E
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![BU of 4n5e by Molmil](/molmil-images/mine/4n5e) | 42F3 TCR pCPA12/H-2Ld complex | 分子名称: | 42F3 alpha VmCh, 42F3 beta VmCh, H-2 class I histocompatibility antigen, ... | 著者 | Birnbaum, M.E, Adams, J.J, Garcia, K.C. | 登録日 | 2013-10-09 | 公開日 | 2015-08-19 | 最終更新日 | 2018-09-26 | 実験手法 | X-RAY DIFFRACTION (3.059 Å) | 主引用文献 | Structural interplay between germline interactions and adaptive recognition determines the bandwidth of TCR-peptide-MHC cross-reactivity. Nat. Immunol., 17, 2016
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4MS8
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![BU of 4ms8 by Molmil](/molmil-images/mine/4ms8) | 42F3 TCR pCPB9/H-2Ld Complex | 分子名称: | 42F3 alpha, 42F3 beta, H-2 class I histocompatibility antigen, ... | 著者 | Birnbaum, M.E, Adams, J.J, Garcia, K.C. | 登録日 | 2013-09-18 | 公開日 | 2014-09-24 | 最終更新日 | 2018-09-26 | 実験手法 | X-RAY DIFFRACTION (1.922 Å) | 主引用文献 | Structural interplay between germline interactions and adaptive recognition determines the bandwidth of TCR-peptide-MHC cross-reactivity. Nat. Immunol., 17, 2016
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4S0H
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![BU of 4s0h by Molmil](/molmil-images/mine/4s0h) | TBX5 DB, NKX2.5 HD, ANF DNA Complex | 分子名称: | 5'-D(*CP*CP*AP*CP*TP*TP*CP*AP*AP*AP*GP*GP*TP*GP*TP*GP*AP*GP*A)-3', 5'-D(*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP*TP*GP*AP*AP*GP*TP*GP*G)-3', Homeobox protein Nkx-2.5, ... | 著者 | Pradhan, L. | 登録日 | 2014-12-31 | 公開日 | 2015-12-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.817 Å) | 主引用文献 | Intermolecular Interactions of Cardiac Transcription Factors NKX2.5 and TBX5. Biochemistry, 55, 2016
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5BQD
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![BU of 5bqd by Molmil](/molmil-images/mine/5bqd) | Crystal Structure of TBX5 (1-239) Dimer | 分子名称: | MAGNESIUM ION, T-box transcription factor TBX5 | 著者 | Pradhan, L, Gopal, S, Patel, A, Kasahara, H, Nam, H.J. | 登録日 | 2015-05-28 | 公開日 | 2016-03-16 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.583 Å) | 主引用文献 | Intermolecular Interactions of Cardiac Transcription Factors NKX2.5 and TBX5. Biochemistry, 55, 2016
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4ZPE
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![BU of 4zpe by Molmil](/molmil-images/mine/4zpe) | |
4ZPG
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![BU of 4zpg by Molmil](/molmil-images/mine/4zpg) | |
4ZPF
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![BU of 4zpf by Molmil](/molmil-images/mine/4zpf) | |
3NAY
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![BU of 3nay by Molmil](/molmil-images/mine/3nay) | PDK1 in complex with inhibitor MP6 | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, 4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-{[(1R)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4H)-one | 著者 | Yan, Y, Munshi, S.K, Allison, T. | 登録日 | 2010-06-02 | 公開日 | 2010-11-24 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Selective inhibition of PDK1 using an allosteric kinase inhibitor and RNAi impairs cancer cell migration and anchorage-independent growth of primary tumor lines J.Biol.Chem., 2010
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2PH6
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![BU of 2ph6 by Molmil](/molmil-images/mine/2ph6) | Crystal Structure of Human Beta Secretase Complexed with inhibitor | 分子名称: | 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-METHYL-D-PHENYLALANINATE, Beta-secretase 1, SULFATE ION | 著者 | Munshi, S. | 登録日 | 2007-04-10 | 公開日 | 2007-06-05 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design, synthesis, and SAR of macrocyclic tertiary carbinamine BACE-1 inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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