4CK1
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![BU of 4ck1 by Molmil](/molmil-images/mine/4ck1) | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | 分子名称: | (4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-[(4-METHOXYPHENYL)METHYLCARBAMOYL]PHENYL]METHYL]AZANIUM, 1,2-ETHANEDIOL, ACETATE ION, ... | 著者 | Peat, T.S. | 登録日 | 2013-12-23 | 公開日 | 2014-01-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
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4CIE
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![BU of 4cie by Molmil](/molmil-images/mine/4cie) | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | 分子名称: | 5-[(E)-[(2S)-2-(6-azanylhexanoylamino)-2,3-dihydroinden-1-ylidene]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, CHLORIDE ION, ... | 著者 | Peat, T.S. | 登録日 | 2013-12-07 | 公開日 | 2014-01-08 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
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4CK3
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![BU of 4ck3 by Molmil](/molmil-images/mine/4ck3) | |
4CIF
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![BU of 4cif by Molmil](/molmil-images/mine/4cif) | |
4CJK
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![BU of 4cjk by Molmil](/molmil-images/mine/4cjk) | |
2FCL
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![BU of 2fcl by Molmil](/molmil-images/mine/2fcl) | |
4CGF
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![BU of 4cgf by Molmil](/molmil-images/mine/4cgf) | |
1O13
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![BU of 1o13 by Molmil](/molmil-images/mine/1o13) | |
4CGJ
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![BU of 4cgj by Molmil](/molmil-images/mine/4cgj) | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | 分子名称: | 5-[[(1S,2S)-2-(6-azanylhexanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, INTEGRASE, ... | 著者 | Peat, T.S. | 登録日 | 2013-11-25 | 公開日 | 2013-12-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
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4CHQ
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![BU of 4chq by Molmil](/molmil-images/mine/4chq) | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | 分子名称: | 1,2-ETHANEDIOL, 5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, ... | 著者 | Peat, T.S. | 登録日 | 2013-12-04 | 公開日 | 2013-12-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
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4CJP
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![BU of 4cjp by Molmil](/molmil-images/mine/4cjp) | |
4CK2
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![BU of 4ck2 by Molmil](/molmil-images/mine/4ck2) | |
3W2Q
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![BU of 3w2q by Molmil](/molmil-images/mine/3w2q) | EGFR kinase domain T790M/L858R mutant with HKI-272 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide | 著者 | Sogabe, S, Kawakita, Y, Igaki, S. | 登録日 | 2012-12-03 | 公開日 | 2013-01-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
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2FZT
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![BU of 2fzt by Molmil](/molmil-images/mine/2fzt) | |
4CHZ
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![BU of 4chz by Molmil](/molmil-images/mine/4chz) | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | 分子名称: | 1,2-ETHANEDIOL, 2-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3(2H)-one, ACETATE ION, ... | 著者 | Peat, T.S. | 登録日 | 2013-12-05 | 公開日 | 2013-12-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014
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4CGD
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![BU of 4cgd by Molmil](/molmil-images/mine/4cgd) | |
4CHY
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![BU of 4chy by Molmil](/molmil-images/mine/4chy) | |
4CJT
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![BU of 4cjt by Molmil](/molmil-images/mine/4cjt) | |
1MRZ
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![BU of 1mrz by Molmil](/molmil-images/mine/1mrz) | Crystal structure of a flavin binding protein from Thermotoga Maritima, TM379 | 分子名称: | CITRIC ACID, Riboflavin kinase/FMN adenylyltransferase | 著者 | Wang, W, Kim, R, Jancarik, J, Yokota, H, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | 登録日 | 2002-09-19 | 公開日 | 2003-09-23 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of a flavin-binding protein from Thermotoga Maritima Proteins, 52, 2003
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2H2W
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![BU of 2h2w by Molmil](/molmil-images/mine/2h2w) | |
2GNO
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![BU of 2gno by Molmil](/molmil-images/mine/2gno) | |
1O6A
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![BU of 1o6a by Molmil](/molmil-images/mine/1o6a) | |
1O0W
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![BU of 1o0w by Molmil](/molmil-images/mine/1o0w) | |
3WZU
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![BU of 3wzu by Molmil](/molmil-images/mine/3wzu) | THE STRUCTURE OF MAP2K7 IN COMPLEX WITH 5Z-7-oxozeaenol | 分子名称: | (3S,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Dual specificity mitogen-activated protein kinase kinase 7 | 著者 | Sogabe, Y, Hashimoto, Y, Matsumoto, T, Kinoshita, T. | 登録日 | 2014-10-07 | 公開日 | 2015-01-14 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | 5Z-7-Oxozeaenol covalently binds to MAP2K7 at Cys218 in an unprecedented manner. Bioorg.Med.Chem.Lett., 25, 2015
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2ZAD
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![BU of 2zad by Molmil](/molmil-images/mine/2zad) | |