4ZBF
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![BU of 4zbf by Molmil](/molmil-images/mine/4zbf) | Mcl-1 complexed with small molecules | Descriptor: | (1R)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2H-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2015-04-14 | Release date: | 2015-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design. J.Med.Chem., 58, 2015
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2QF6
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![BU of 2qf6 by Molmil](/molmil-images/mine/2qf6) | HSP90 complexed with A56322 | Descriptor: | 6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE, Heat shock protein HSP 90-alpha | Authors: | Park, C.H. | Deposit date: | 2007-06-26 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies. Chem.Biol.Drug Des., 70, 2007
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2QG2
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![BU of 2qg2 by Molmil](/molmil-images/mine/2qg2) | HSP90 complexed with A917985 | Descriptor: | 3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE, Heat shock protein HSP 90-alpha | Authors: | Park, C.H. | Deposit date: | 2007-06-28 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies. Chem.Biol.Drug Des., 70, 2007
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1TCE
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![BU of 1tce by Molmil](/molmil-images/mine/1tce) | SOLUTION NMR STRUCTURE OF THE SHC SH2 DOMAIN COMPLEXED WITH A TYROSINE-PHOSPHORYLATED PEPTIDE FROM THE T-CELL RECEPTOR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | PHOSPHOPEPTIDE OF THE ZETA CHAIN OF T CELL RECEPTOR, SHC | Authors: | Zhou, M.-M, Meadows, R.P, Logan, T.M, Yoon, H.S, Wade, W.R, Ravichandran, K.S, Burakoff, S.J, Feisk, S.W. | Deposit date: | 1996-03-27 | Release date: | 1997-05-15 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Solution structure of the Shc SH2 domain complexed with a tyrosine-phosphorylated peptide from the T-cell receptor. Proc.Natl.Acad.Sci.USA, 92, 1995
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6U80
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![BU of 6u80 by Molmil](/molmil-images/mine/6u80) | |
6UCS
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![BU of 6ucs by Molmil](/molmil-images/mine/6ucs) | |
6UIF
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![BU of 6uif by Molmil](/molmil-images/mine/6uif) | |
6U5Y
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![BU of 6u5y by Molmil](/molmil-images/mine/6u5y) | |
6UIK
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![BU of 6uik by Molmil](/molmil-images/mine/6uik) | |
1FV9
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![BU of 1fv9 by Molmil](/molmil-images/mine/1fv9) | |
1DDF
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![BU of 1ddf by Molmil](/molmil-images/mine/1ddf) | FAS DEATH DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | FAS | Authors: | Huang, B, Eberstadt, M, Olejniczak, E, Meadows, R.P, Fesik, S. | Deposit date: | 1996-11-08 | Release date: | 1997-11-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure and mutagenesis of the Fas (APO-1/CD95) death domain. Nature, 384, 1996
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4HW2
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![BU of 4hw2 by Molmil](/molmil-images/mine/4hw2) | Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design | Descriptor: | 1,2-ETHANEDIOL, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Zhao, B. | Deposit date: | 2012-11-07 | Release date: | 2013-01-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design. J.Med.Chem., 56, 2013
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4HW3
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![BU of 4hw3 by Molmil](/molmil-images/mine/4hw3) | Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design | Descriptor: | 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2012-11-07 | Release date: | 2013-01-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design. J.Med.Chem., 56, 2013
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4HW4
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![BU of 4hw4 by Molmil](/molmil-images/mine/4hw4) | |
6NE5
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![BU of 6ne5 by Molmil](/molmil-images/mine/6ne5) | |
1Q1M
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![BU of 1q1m by Molmil](/molmil-images/mine/1q1m) | A Highly Efficient Approach to a Selective and Cell Active PTP1B inhibitors | Descriptor: | 5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | Authors: | Liu, G, Xin, Z, Pei, Z, Hajduk, P.J, Abad-Zapatero, C, Hutchins, C.W, Zhao, H, Lubben, T.H, Ballaron, S.J, Haasch, D.L, Kaszubska, W, Rondinone, C.M, Trevillyan, J.M, Jirousek, M.R. | Deposit date: | 2003-07-22 | Release date: | 2003-09-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Fragment screening and assembly: a highly efficient approach to a selective and cell active protein tyrosine phosphatase 1B inhibitor. J.Med.Chem., 46, 2003
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1PYN
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![BU of 1pyn by Molmil](/molmil-images/mine/1pyn) | DUAL-SITE POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR USING A LINKED FRAGMENT STRATEGY AND A MALONATE HEAD ON THE FIRST SITE | Descriptor: | 2-(4-{2-TERT-BUTOXYCARBONYLAMINO-2-[4-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-PHENOXY)-MALONIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | Authors: | Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Zhonghua, P, Lubben, T, Trevillyan, J.M, Stashko, M, Ballaron, S.J, Liang, H. | Deposit date: | 2003-07-09 | Release date: | 2003-09-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and SAR of novel, potent and selective protein tyrosine phosphatase 1B inhibitors. Bioorg.Med.Chem.Lett., 13, 2003
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6U5M
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![BU of 6u5m by Molmil](/molmil-images/mine/6u5m) | |
6U8B
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![BU of 6u8b by Molmil](/molmil-images/mine/6u8b) | |
6U6W
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![BU of 6u6w by Molmil](/molmil-images/mine/6u6w) | |
6UJ4
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![BU of 6uj4 by Molmil](/molmil-images/mine/6uj4) | |
6UJL
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![BU of 6ujl by Molmil](/molmil-images/mine/6ujl) | |
6U8O
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![BU of 6u8o by Molmil](/molmil-images/mine/6u8o) | |
6U8L
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![BU of 6u8l by Molmil](/molmil-images/mine/6u8l) | |
6UJJ
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![BU of 6ujj by Molmil](/molmil-images/mine/6ujj) | |