6CSH
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6CRR
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6CSA
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6CSG
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6CS3
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6CS5
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4OEX
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![BU of 4oex by Molmil](/molmil-images/mine/4oex) | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | 分子名称: | 6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Chen, T.T, Ren, J, Xu, Y.C. | 登録日 | 2014-01-14 | 公開日 | 2015-04-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors. J.Med.Chem., 57, 2014
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7U1Z
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![BU of 7u1z by Molmil](/molmil-images/mine/7u1z) | Crystal structure of the DRBD and CROPs of TcdA | 分子名称: | SULFATE ION, Toxin A | 著者 | Baohua, C, Peng, C, Kay, P, Rongsheng, J. | 登録日 | 2022-02-22 | 公開日 | 2022-03-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | 主引用文献 | Structure and conformational dynamics of Clostridioides difficile toxin A. Life Sci Alliance, 5, 2022
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4MCB
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![BU of 4mcb by Molmil](/molmil-images/mine/4mcb) | H.influenzae TrmD in complex with N-(4-{[(1H-IMIDAZOL-2-YLMETHYL)AMINO]METHYL}BENZYL)-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE | 分子名称: | ACETATE ION, GLYCEROL, N-(4-{[(1H-imidazol-2-ylmethyl)amino]methyl}benzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, ... | 著者 | Olivier, N.B, Hill, P. | 登録日 | 2013-08-21 | 公開日 | 2013-09-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain. J.Med.Chem., 56, 2013
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8OJY
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8OJZ
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8OJQ
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8OJ9
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8OJE
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8OJF
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4OKG
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4MCC
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![BU of 4mcc by Molmil](/molmil-images/mine/4mcc) | HinTrmD in complex with N-[4-(AMINOMETHYL)BENZYL]-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE | 分子名称: | N-[4-(aminomethyl)benzyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | 著者 | Olivier, N.B, Hill, P. | 登録日 | 2013-08-21 | 公開日 | 2013-09-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain. J.Med.Chem., 56, 2013
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4MCD
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![BU of 4mcd by Molmil](/molmil-images/mine/4mcd) | hinTrmD in complex with 5-PHENYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE | 分子名称: | 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, tRNA (guanine-N(1)-)-methyltransferase | 著者 | Lahiri, S. | 登録日 | 2013-08-21 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain. J.Med.Chem., 56, 2013
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4NAH
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![BU of 4nah by Molmil](/molmil-images/mine/4nah) | Inhibitors of 4-Phosphopanthetheine Adenylyltransferase (PPAT) | 分子名称: | 2-[(2-{(1S,2S)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethylpyrimidin-4-yl)sulfanyl]-1H-imidazole-5-carboxylic acid, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase | 著者 | Lahiri, S.D. | 登録日 | 2013-10-22 | 公開日 | 2014-03-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Discovery of inhibitors of 4'-phosphopantetheine adenylyltransferase (PPAT) to validate PPAT as a target for antibacterial therapy. Antimicrob.Agents Chemother., 57, 2013
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4KAV
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2F7E
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![BU of 2f7e by Molmil](/molmil-images/mine/2f7e) | PKA complexed with (S)-2-(1H-Indol-3-yl)-1-(5-isoquinolin-6-yl-pyridin-3-yloxymethyl-etylamine | 分子名称: | (1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE, PKI inhibitory peptide, cAMP-dependent protein kinase, ... | 著者 | Stoll, V.S. | 登録日 | 2005-11-30 | 公開日 | 2006-06-27 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer. Bioorg.Med.Chem.Lett., 16, 2006
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4NAT
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![BU of 4nat by Molmil](/molmil-images/mine/4nat) | Inhibitors of 4-Phosphopanthetheine Adenylyltransferase | 分子名称: | (1R,2R)-N-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Lahiri, S.D. | 登録日 | 2013-10-22 | 公開日 | 2014-03-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy. Antimicrob.Agents Chemother., 57, 2013
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4NAU
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![BU of 4nau by Molmil](/molmil-images/mine/4nau) | S. aureus CoaD with Inhibitor | 分子名称: | 2-[2-[(1S,2S)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidine-5-carboxamide, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase | 著者 | Lahiri, S.D. | 登録日 | 2013-10-22 | 公開日 | 2014-03-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy. Antimicrob.Agents Chemother., 57, 2013
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3H42
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![BU of 3h42 by Molmil](/molmil-images/mine/3h42) | Crystal structure of PCSK9 in complex with Fab from LDLR competitive antibody | 分子名称: | Fab from LDLR competitive antibody: Heavy chain, Fab from LDLR competitive antibody: Light chain, Proprotein convertase subtilisin/kexin type 9, ... | 著者 | Piper, D.E, Walker, N.P.C, Romanow, W.G, Thibault, S.T, Tsai, M.M, Yang, E. | 登録日 | 2009-04-17 | 公開日 | 2009-05-05 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | From the Cover: A proprotein convertase subtilisin/kexin type 9 neutralizing antibody reduces serum cholesterol in mice and nonhuman primates. Proc.Natl.Acad.Sci.USA, 106, 2009
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4KAY
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