4WS4
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![BU of 4ws4 by Molmil](/molmil-images/mine/4ws4) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-nitrouracil, Form I | 分子名称: | 5-nitrouracil, CHLORIDE ION, CITRIC ACID, ... | 著者 | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | 登録日 | 2014-10-25 | 公開日 | 2015-07-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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4WS6
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![BU of 4ws6 by Molmil](/molmil-images/mine/4ws6) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-aminouracil, Form I | 分子名称: | 1,2-ETHANEDIOL, 5-AMINO-1H-PYRIMIDINE-2,4-DIONE, CHLORIDE ION, ... | 著者 | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | 登録日 | 2014-10-25 | 公開日 | 2015-07-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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3A7N
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![BU of 3a7n by Molmil](/molmil-images/mine/3a7n) | Crystal structure of uracil-DNA glycosylase from Mycobacterium tuberculosis | 分子名称: | CITRATE ANION, Uracil-DNA glycosylase | 著者 | Kaushal, P.S, Talawar, R.K, Varshney, U, Vijayan, M. | 登録日 | 2009-09-29 | 公開日 | 2010-08-11 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure of uracil-DNA glycosylase from Mycobacterium tuberculosis: insights into interactions with ligands Acta Crystallogr.,Sect.F, 66, 2010
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4WPK
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![BU of 4wpk by Molmil](/molmil-images/mine/4wpk) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase, Form I | 分子名称: | CITRIC ACID, SODIUM ION, Uracil-DNA glycosylase | 著者 | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | 登録日 | 2014-10-20 | 公開日 | 2015-07-15 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | 主引用文献 | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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2ZHX
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![BU of 2zhx by Molmil](/molmil-images/mine/2zhx) | Crystal structure of Uracil-DNA Glycosylase from Mycobacterium tuberculosis in complex with a proteinaceous inhibitor | 分子名称: | Uracil-DNA glycosylase, Uracil-DNA glycosylase inhibitor | 著者 | Kaushal, P.S, Talawar, R.K, Krishna, P.D.V, Varshney, U, Vijayan, M. | 登録日 | 2008-02-11 | 公開日 | 2008-05-20 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Unique features of the structure and interactions of mycobacterial uracil-DNA glycosylase: structure of a complex of the Mycobacterium tuberculosis enzyme in comparison with those from other sources Acta Crystallogr.,Sect.D, 64, 2008
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4OR1
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![BU of 4or1 by Molmil](/molmil-images/mine/4or1) | Structure and mechanism of fibronectin binding and biofilm formation of enteroaggregative Escherischia coli AAF fimbriae | 分子名称: | ACETATE ION, Invasin homolog AafB, Major fimbrial subunit of aggregative adherence fimbria II AafA chimeric construct, ... | 著者 | Lee, W.-C, Garnett, J.A, Yang, Y, Matthews, S. | 登録日 | 2014-02-10 | 公開日 | 2014-12-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural insight into host recognition by aggregative adherence fimbriae of enteroaggregative Escherichia coli. Plos Pathog., 10, 2014
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8TYP
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![BU of 8typ by Molmil](/molmil-images/mine/8typ) | Complement Protease C1s Inhibited by 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide | 分子名称: | 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide, Complement C1s subcomponent, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Geisbrecht, B.V. | 登録日 | 2023-08-25 | 公開日 | 2023-11-29 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Inhibition of the C1s Protease and the Classical Complement Pathway by 6-(4-Phenylpiperazin-1-yl)Pyridine-3-Carboximidamide and Chemical Analogs. J Immunol., 212, 2024
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4PHX
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![BU of 4phx by Molmil](/molmil-images/mine/4phx) | |
4PH8
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![BU of 4ph8 by Molmil](/molmil-images/mine/4ph8) | |
3ODC
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![BU of 3odc by Molmil](/molmil-images/mine/3odc) | Human PARP-1 zinc finger 2 (Zn2) bound to DNA | 分子名称: | 5'-D(*CP*CP*CP*AP*GP*AP*CP*G)-3', 5'-D(*CP*GP*TP*CP*TP*GP*GP*G)-3', Poly [ADP-ribose] polymerase 1, ... | 著者 | Pascal, J.M, Langelier, M.-F. | 登録日 | 2010-08-11 | 公開日 | 2011-01-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal Structures of Poly(ADP-ribose) Polymerase-1 (PARP-1) Zinc Fingers Bound to DNA: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO DNA-DEPENDENT PARP-1 ACTIVITY. J.Biol.Chem., 286, 2011
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5LAD
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![BU of 5lad by Molmil](/molmil-images/mine/5lad) | |
7SLH
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![BU of 7slh by Molmil](/molmil-images/mine/7slh) | Engineered sperm whale myoglobin-based carbene transferase MbBTIC-C3 | 分子名称: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | 著者 | Jenkins, J.L, Vargas, D, Ren, X, Fasan, R. | 登録日 | 2021-10-24 | 公開日 | 2023-05-03 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Biocatalytic strategy for the construction of sp 3 -rich polycyclic compounds from directed evolution and computational modelling. Nat.Chem., 16, 2024
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7SLI
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![BU of 7sli by Molmil](/molmil-images/mine/7sli) | Engineered sperm whale myoglobin-based carbene transferase MbBTIC-C2 | 分子名称: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | 著者 | Jenkins, J.L, Vargas, D, Ren, X, Fasan, R. | 登録日 | 2021-10-24 | 公開日 | 2023-05-03 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Biocatalytic strategy for the construction of sp 3 -rich polycyclic compounds from directed evolution and computational modelling. Nat.Chem., 16, 2024
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7TDM
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![BU of 7tdm by Molmil](/molmil-images/mine/7tdm) | |
7TDN
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![BU of 7tdn by Molmil](/molmil-images/mine/7tdn) | |
3OD8
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![BU of 3od8 by Molmil](/molmil-images/mine/3od8) | Human PARP-1 zinc finger 1 (Zn1) bound to DNA | 分子名称: | 5'-D(*CP*CP*CP*AP*AP*GP*CP*GP*GP*C)-3', 5'-D(*GP*CP*CP*GP*CP*TP*TP*GP*GP*G)-3', Poly [ADP-ribose] polymerase 1, ... | 著者 | Pascal, J.M, Langelier, M.-F. | 登録日 | 2010-08-11 | 公開日 | 2011-01-12 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal Structures of Poly(ADP-ribose) Polymerase-1 (PARP-1) Zinc Fingers Bound to DNA: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO DNA-DEPENDENT PARP-1 ACTIVITY. J.Biol.Chem., 286, 2011
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3ODA
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![BU of 3oda by Molmil](/molmil-images/mine/3oda) | Human PARP-1 zinc finger 1 (Zn1) bound to DNA | 分子名称: | 5'-D(*GP*CP*CP*TP*GP*CP*AP*GP*GP*C)-3', Poly [ADP-ribose] polymerase 1, ZINC ION | 著者 | Pascal, J.M, Langelier, M.-F. | 登録日 | 2010-08-11 | 公開日 | 2011-01-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Crystal Structures of Poly(ADP-ribose) Polymerase-1 (PARP-1) Zinc Fingers Bound to DNA: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO DNA-DEPENDENT PARP-1 ACTIVITY. J.Biol.Chem., 286, 2011
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3ODE
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![BU of 3ode by Molmil](/molmil-images/mine/3ode) | Human PARP-1 zinc finger 2 (Zn2) bound to DNA | 分子名称: | 5'-D(*CP*CP*CP*AP*AP*GP*CP*G)-3', 5'-D(*CP*GP*CP*TP*TP*GP*GP*G)-3', Poly [ADP-ribose] polymerase 1, ... | 著者 | Pascal, J.M, Langelier, M.-F. | 登録日 | 2010-08-11 | 公開日 | 2011-01-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Crystal Structures of Poly(ADP-ribose) Polymerase-1 (PARP-1) Zinc Fingers Bound to DNA: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO DNA-DEPENDENT PARP-1 ACTIVITY. J.Biol.Chem., 286, 2011
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8FUR
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![BU of 8fur by Molmil](/molmil-images/mine/8fur) | Crystal structure of human IDO1 with compound 11 | 分子名称: | Indoleamine 2,3-dioxygenase 1, N-(4-methylphenyl)-N'-[(1P,2'P)-4-propoxy-5-propyl-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-yl]urea | 著者 | Critton, D.A, Lewis, H.A. | 登録日 | 2023-01-18 | 公開日 | 2023-04-26 | 最終更新日 | 2023-05-03 | 実験手法 | X-RAY DIFFRACTION (2.285 Å) | 主引用文献 | Synthesis and biological evaluation of biaryl alkyl ethers as inhibitors of IDO1. Bioorg.Med.Chem.Lett., 88, 2023
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4DQY
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![BU of 4dqy by Molmil](/molmil-images/mine/4dqy) | |
5AG4
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![BU of 5ag4 by Molmil](/molmil-images/mine/5ag4) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND | 分子名称: | (2S)-3-(3-chlorophenyl)-2-(pyridin-2-yl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | 著者 | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | 登録日 | 2015-01-29 | 公開日 | 2015-10-07 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode. Chemmedchem, 10, 2015
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5AGE
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![BU of 5age by Molmil](/molmil-images/mine/5age) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A BENZOMORPHOLINONE LIGAND | 分子名称: | 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-7-[4-(1-methylpiperidin-4-yl)butyl]-2H-1,4-benzoxazin-3(4H)-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | 著者 | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | 登録日 | 2015-01-29 | 公開日 | 2015-10-07 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode. Chemmedchem, 10, 2015
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5AG7
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![BU of 5ag7 by Molmil](/molmil-images/mine/5ag7) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A BENZOMORPHOLINE LIGAND | 分子名称: | GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA, ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate | 著者 | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | 登録日 | 2015-01-29 | 公開日 | 2015-10-07 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode. Chemmedchem, 10, 2015
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5AG5
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![BU of 5ag5 by Molmil](/molmil-images/mine/5ag5) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND | 分子名称: | (2R)-3-benzyl-2-(1H-indazol-5-yl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | 著者 | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | 登録日 | 2015-01-29 | 公開日 | 2015-10-07 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode. Chemmedchem, 10, 2015
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5AG6
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![BU of 5ag6 by Molmil](/molmil-images/mine/5ag6) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND | 分子名称: | (2R)-2-(4-hydroxy-3-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | 著者 | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | 登録日 | 2015-01-29 | 公開日 | 2015-10-07 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode. Chemmedchem, 10, 2015
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