7TYP
| TEAD2 bound to GNE-7883 | Descriptor: | (8S)-5-(4-cyclohexylphenyl)-3-[3-(fluoromethyl)azetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcriptional enhancer factor TEF-4 | Authors: | Noland, C.L, Fong, R. | Deposit date: | 2022-02-14 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Novel mechanism of YAP-TEAD inhibition results in targeted chromatin remodeling and reveals an
expanded Hippo dependent landscape in cancers To Be Published
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7TYQ
| TEAD2 bound to Compound 1 | Descriptor: | Transcriptional enhancer factor TEF-4, ethyl (8S)-7-oxo-5-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate | Authors: | Noland, C.L, Fong, R. | Deposit date: | 2022-02-14 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Novel mechanism of YAP-TEAD inhibition results in targeted chromatin remodeling and reveals an
expanded Hippo dependent landscape in cancers To Be Published
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2CKX
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1YDE
| Crystal Structure of Human Retinal Short-Chain Dehydrogenase/Reductase 3 | Descriptor: | Retinal dehydrogenase/reductase 3 | Authors: | Lukacik, P, Bunkozci, G, Kavanagh, K, Sundstrom, M, Arrowsmith, C, Edwards, A, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2004-12-23 | Release date: | 2005-01-18 | Last modified: | 2012-03-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and biochemical characterization of human orphan DHRS10 reveals a novel cytosolic enzyme with steroid dehydrogenase activity. Biochem.J., 402, 2007
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1YLA
| Ubiquitin-conjugating enzyme E2-25 kDa (Huntington interacting protein 2) | Descriptor: | Ubiquitin-conjugating enzyme E2-25 kDa | Authors: | Choe, J, Avvakumov, G.V, Newman, E.M, Mackenzie, F, Kozieradzki, I, Bochkarev, A, Sundstrom, M, Arrowsmith, C, Edwards, A, Dhe-paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2005-01-19 | Release date: | 2005-02-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of E2-25K/UBB+1 interaction leading to proteasome inhibition and neurotoxicity J.Biol.Chem., 285, 2010
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1FMU
| STRUCTURE OF NATIVE PROTEINASE A IN P3221 SPACE GROUP. | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, SACCHAROPEPSIN, ... | Authors: | Gustchina, A, Li, M, Phylip, L.H, Lees, W.E, Kay, J, Wlodawer, A. | Deposit date: | 2000-08-18 | Release date: | 2002-07-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | An unusual orientation for Tyr75 in the active site of the aspartic proteinase from Saccharomyces cerevisiae. Biochem.Biophys.Res.Commun., 295, 2002
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1FMX
| STRUCTURE OF NATIVE PROTEINASE A IN THE SPACE GROUP P21 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SACCHAROPEPSIN, ... | Authors: | Gustchina, A, Li, M, Phylip, L.H, Lees, W.E, Kay, J, Wlodawer, A. | Deposit date: | 2000-08-18 | Release date: | 2002-07-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | An unusual orientation for Tyr75 in the active site of the aspartic proteinase from Saccharomyces cerevisiae. Biochem.Biophys.Res.Commun., 295, 2002
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5DEY
| Crystal structure of PAK1 in complex with an inhibitor compound G-5555 | Descriptor: | 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | Authors: | Oh, A, Tam, C, Wang, W. | Deposit date: | 2015-08-26 | Release date: | 2016-01-27 | Last modified: | 2016-06-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety. Acs Med.Chem.Lett., 6, 2015
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5DFP
| Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036 | Descriptor: | 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase PAK 1 | Authors: | Maksimoska, J, Marmorstein, R, Wang, W. | Deposit date: | 2015-08-27 | Release date: | 2016-01-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety. Acs Med.Chem.Lett., 6, 2015
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6UYC
| Crystal structure of TEAD2 bound to Compound 2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-{5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide, Transcriptional enhancer factor TEF-4 | Authors: | Noland, C.L, Holden, J.K, Crawford, J.J, Zbieg, J.R, Cunningham, C.N. | Deposit date: | 2019-11-12 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.658 Å) | Cite: | Small Molecule Dysregulation of TEAD Lipidation Induces a Dominant-Negative Inhibition of Hippo Pathway Signaling. Cell Rep, 31, 2020
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6UYB
| Crystal structure of TEAD2 bound to Compound 1 | Descriptor: | (3R,4R)-1-{3-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methylphenyl}-3,4-dihydroxypyrrolidin-2-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | Authors: | Noland, C.L, Holden, J.K, Crawford, J.J, Zbieg, J.R, Cunningham, C.N. | Deposit date: | 2019-11-12 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.543 Å) | Cite: | Small Molecule Dysregulation of TEAD Lipidation Induces a Dominant-Negative Inhibition of Hippo Pathway Signaling. Cell Rep, 31, 2020
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1W01
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1W02
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1W00
| Crystal structure of mutant enzyme D103L of Ketosteroid Isomerase from Pseudomonas putida biotype B | Descriptor: | STEROID DELTA-ISOMERASE | Authors: | Kim, D.H, Jang, D.S, Nam, G.H, Oh, B.H, Choi, K.Y. | Deposit date: | 2004-05-30 | Release date: | 2005-05-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Double-Mutant Cycle Analysis of a Hydrogen Bond Network in Ketosteroid Isomerase from Pseudomonas Putida Biotype B Biochem.J., 382, 2004
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6DTX
| Wildtype HIV-1 Reverse Transcriptase in complex with JLJ 578 | Descriptor: | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, GLYCEROL, Reverse transcriptase/ribonuclease H, ... | Authors: | Sasaki, T, Gannam, Z.T.K, Anderson, K.S, Jorgensen, W.L, Lee, W. | Deposit date: | 2018-06-18 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.327 Å) | Cite: | Molecular and cellular studies evaluating a potent 2-cyanoindolizine catechol diether NNRTI targeting wildtype and Y181C mutant HIV-1 reverse transcriptase. Bioorg.Med.Chem.Lett., 29, 2019
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6DTW
| HIV-1 Reverse Transcriptase Y181C Mutant in complex with JLJ 578 | Descriptor: | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Sasaki, T, Gannam, Z.T.K, Anderson, K.S, Jorgensen, W.L, Lee, W. | Deposit date: | 2018-06-18 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.742 Å) | Cite: | Molecular and cellular studies evaluating a potent 2-cyanoindolizine catechol diether NNRTI targeting wildtype and Y181C mutant HIV-1 reverse transcriptase. Bioorg.Med.Chem.Lett., 29, 2019
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5IME
| Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9 | Descriptor: | 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | Authors: | Li, D, Wang, W. | Deposit date: | 2016-03-06 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.217 Å) | Cite: | Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window. J.Med.Chem., 59, 2016
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1JJG
| Solution Structure of Myxoma Virus Protein M156R | Descriptor: | M156R | Authors: | Ramelot, T.A, Cort, J.R, Yee, A.A, Arrowsmith, C.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2001-07-05 | Release date: | 2002-03-06 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Myxoma virus immunomodulatory protein M156R is a structural mimic of eukaryotic translation initiation factor eIF2alpha. J.Mol.Biol., 322, 2002
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1DMQ
| CRYSTAL STRUCTURE OF MUTANT ENZYME Y32F OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B | Descriptor: | STEROID DELTA-ISOMERASE | Authors: | Kim, D.H, Jang, D.S, Nam, G.H, Oh, B.H, Choi, K.Y. | Deposit date: | 1999-12-14 | Release date: | 2000-05-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Contribution of the hydrogen-bond network involving a tyrosine triad in the active site to the structure and function of a highly proficient ketosteroid isomerase from Pseudomonas putida biotype B. Biochemistry, 39, 2000
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4MLE
| Human Glucokinase in Complex with Novel Amino Thiazole Activator | Descriptor: | 3-(benzyloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyridin-2-amine, Glucokinase, alpha-D-glucopyranose | Authors: | Voegtli, W.C. | Deposit date: | 2013-09-06 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of a New Class of Glucokinase Activators through Structure-Based Design. J.Med.Chem., 56, 2013
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4MLH
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2XHS
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2PE0
| CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 5-Hydroxy-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-1,3-dihydro-indol-2-one COMPLEX | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE, GLYCEROL, ... | Authors: | Whitlow, M, Adler, M. | Deposit date: | 2007-04-01 | Release date: | 2007-06-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity. Bioorg.Med.Chem.Lett., 17, 2007
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2PE1
| CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) {2-Oxo-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-2,3-dihydro-1H-indol-5-yl}-urea {BX-517} COMPLEX | Descriptor: | 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ... | Authors: | Whitlow, M, Adler, M. | Deposit date: | 2007-04-01 | Release date: | 2007-06-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity. Bioorg.Med.Chem.Lett., 17, 2007
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1NE3
| Solution structure of ribosomal protein S28E from Methanobacterium Thermoautotrophicum. Ontario Centre for Structural Proteomics target MTH0256_1_68; Northeast Structural Genomics Target TT744 | Descriptor: | 30S ribosomal protein S28E | Authors: | Wu, B, Pineda-Lucena, A, Yee, A, Cort, J.R, Ramelot, T.A, Kennedy, M, Edwards, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2002-12-10 | Release date: | 2003-12-23 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of ribosomal protein S28E from Methanobacterium thermoautotrophicum. Protein Sci., 12, 2003
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