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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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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1AMX
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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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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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1E57
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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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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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1QJZ
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![BU of 1qjz by Molmil](/molmil-images/mine/1qjz) | Three Dimensional Structure of Physalis Mottle Virus : Implications for the Viral Assembly | 分子名称: | COAT PROTEIN | 著者 | Krishna, S.S, Hiremath, C.N, Munshi, S.K, Prahadeeswaran, D, Sastri, M, Savithri, H.S, Murthy, M.R.N. | 登録日 | 1999-07-07 | 公開日 | 1999-07-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | 主引用文献 | Three Dimensional Structure of Physalis Movirus: Implications for the Viral Assembly J.Mol.Biol., 289, 1999
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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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7TFF
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![BU of 7tff by Molmil](/molmil-images/mine/7tff) | Crystal structure of human platelet phosphofructokinase-1 mutant- D564N | 分子名称: | ATP-dependent 6-phosphofructokinase, platelet type, PHOSPHATE ION, ... | 著者 | Hansen, H, Webb, B.A, Robart, A.R, Narayanasami, S. | 登録日 | 2022-01-06 | 公開日 | 2023-07-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | 主引用文献 | Cancer-associated somatic mutations in human phosphofructokinase-1 reveal a critical electrostatic interaction for allosteric regulation of enzyme activity. Biochem.J., 480, 2023
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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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4ZPE
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4ZPF
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4ZPG
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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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3NAX
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![BU of 3nax by Molmil](/molmil-images/mine/3nax) | PDK1 in complex with inhibitor MP7 | 分子名称: | 1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1 | 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 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Genetic and pharmacological inhibition of PDK1 in cancer cells: characterization of a selective allosteric kinase inhibitor. J.Biol.Chem., 286, 2011
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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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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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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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2PH8
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![BU of 2ph8 by Molmil](/molmil-images/mine/2ph8) | Crystal Structure of Human Beta Secretase Complexed with inhibitor | 分子名称: | Beta-secretase 1, N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE, SULFATE ION | 著者 | Munshi, S. | 登録日 | 2007-04-10 | 公開日 | 2008-04-22 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Strategies toward improving the brain penetration of macrocyclic tertiary carbinamine BACE-1 inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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2QZK
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![BU of 2qzk by Molmil](/molmil-images/mine/2qzk) | Crystal structure of human Beta Secretase complexed with I21 | 分子名称: | 2-[(5R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile, Beta-secretase 1 | 著者 | Munshi, S. | 登録日 | 2007-08-16 | 公開日 | 2008-04-29 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Strategies toward improving the brain penetration of macrocyclic tertiary carbinamine BACE-1 inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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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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