7BHU
| Crystal structure of MAT2a with elaborated fragment 26 bound in the allosteric site | Descriptor: | 1,2-ETHANEDIOL, 7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one, S-ADENOSYLMETHIONINE, ... | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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7BHW
| Crystal structure of MAT2a bound to allosteric inhibitor (compound 29) | Descriptor: | 7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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7BHR
| Crystal structure of MAT2a with triazinone fragment 1 bound in the allosteric site | Descriptor: | 4-(dimethylamino)-6-ethoxy-1~{H}-1,3,5-triazin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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3PF1
| E. coli FadL Asp348Ala mutant | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, Long-chain fatty acid transport protein | Authors: | Vandenberg, B, Lepore, B.W, Hearn, E.M, Indic, M, Patel, D. | Deposit date: | 2010-10-27 | Release date: | 2011-05-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | From the Cover: Ligand-gated diffusion across the bacterial outer membrane. Proc.Natl.Acad.Sci.USA, 108, 2011
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7BHV
| Crystal structure of MAT2a bound to allosteric inhibitor and in vivo tool compound 28 | Descriptor: | 7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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7BHT
| Crystal structure of MAT2a with quinazolinone fragment 5 bound in the allosteric site | Descriptor: | 7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.052 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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7BHX
| Crystal structure of MAT2a bound to allosteric inhibitor (compound 31) | Descriptor: | 7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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3PGR
| Asp348Arg mutant of EcFadL | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Long-chain fatty acid transport protein | Authors: | Lepore, B.W, van den Berg, B, Indic, M, Hearn, E, Patel, D, Pham, H. | Deposit date: | 2010-11-02 | Release date: | 2011-05-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | From the Cover: Ligand-gated diffusion across the bacterial outer membrane. Proc.Natl.Acad.Sci.USA, 108, 2011
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3PGU
| Phe3Glu mutant of EcFadL | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Long-chain fatty acid transport protein, NICKEL (II) ION, ... | Authors: | Lepore, B.W, Indic, M, Pham, H, Hearn, E, Patel, D, van den Berg, B. | Deposit date: | 2010-11-02 | Release date: | 2011-05-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | From the Cover: Ligand-gated diffusion across the bacterial outer membrane. Proc.Natl.Acad.Sci.USA, 108, 2011
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3DWO
| Crystal structure of a Pseudomonas aeruginosa FadL homologue | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Probable outer membrane protein, SULFATE ION | Authors: | Hearn, E.M, Patel, D.R, Lepore, B.W, Indic, M, van den Berg, B. | Deposit date: | 2008-07-22 | Release date: | 2008-12-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Transmembrane passage of hydrophobic compounds through a protein channel wall. Nature, 458, 2009
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3DWN
| Crystal structure of the long-chain fatty acid transporter FadL mutant A77E/S100R | Descriptor: | LAURYL DIMETHYLAMINE-N-OXIDE, Long-chain fatty acid transport protein | Authors: | Hearn, E.M, Patel, D.R, Lepore, B.W, Indic, M, van den Berg, B. | Deposit date: | 2008-07-22 | Release date: | 2008-12-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Transmembrane passage of hydrophobic compounds through a protein channel wall. Nature, 458, 2009
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2R4P
| Crystal structure of the long-chain fatty acid transporter FadL mutant G212E | Descriptor: | LAURYL DIMETHYLAMINE-N-OXIDE, Long-chain fatty acid transport protein | Authors: | Hearn, E.M, Patel, D.R, Lepore, B.W, Indic, M, van den Berg, B. | Deposit date: | 2007-08-31 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Transmembrane passage of hydrophobic compounds through a protein channel wall Nature, 458, 2009
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2R4O
| Crystal structure of the long-chain fatty acid transporter FadL mutant delta NPA | Descriptor: | LAURYL DIMETHYLAMINE-N-OXIDE, Long-chain fatty acid transport protein | Authors: | Hearn, E.M, Patel, D.R, Lepore, B.W, Indic, M, van den Berg, B. | Deposit date: | 2007-08-31 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Transmembrane passage of hydrophobic compounds through a protein channel wall Nature, 458, 2009
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2R88
| Crystal structure of the long-chain fatty acid transporter FadL mutant delta S3 kink | Descriptor: | Long-chain fatty acid transport protein | Authors: | Hearn, E.M, Patel, D.R, Lepore, B.W, Indic, M, van den Berg, B. | Deposit date: | 2007-09-10 | Release date: | 2008-09-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Transmembrane passage of hydrophobic compounds through a protein channel wall Nature, 458, 2009
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2R8A
| Crystal structure of the long-chain fatty acid transporter FadL mutant delta N8 | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Long-chain fatty acid transport protein | Authors: | Hearn, E.M, Patel, D.R, Lepore, B.W, Indic, M, van den Berg, B. | Deposit date: | 2007-09-10 | Release date: | 2008-09-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | From the Cover: Ligand-gated diffusion across the bacterial outer membrane. Proc.Natl.Acad.Sci.USA, 108, 2011
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2R89
| Crystal structure of the long-chain fatty acid transporter FadL mutant delta N3 | Descriptor: | Long-chain fatty acid transport protein | Authors: | Hearn, E.M, Patel, D.R, Lepore, B.W, Indic, M, van den Berg, B. | Deposit date: | 2007-09-10 | Release date: | 2008-09-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | From the Cover: Ligand-gated diffusion across the bacterial outer membrane. Proc.Natl.Acad.Sci.USA, 108, 2011
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2R4L
| Crystal structure of the long-chain fatty acid transporter FadL mutant P34A | Descriptor: | LAURYL DIMETHYLAMINE-N-OXIDE, Long-chain fatty acid transport protein | Authors: | Hearn, E.M, Patel, D.R, Lepore, B.W, Indic, M, van den Berg, B. | Deposit date: | 2007-08-31 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Transmembrane passage of hydrophobic compounds through a protein channel wall Nature, 458, 2009
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2R4N
| Crystal structure of the long-chain fatty acid transporter FadL mutant N33A | Descriptor: | LAURYL DIMETHYLAMINE-N-OXIDE, Long-chain fatty acid transport protein | Authors: | Hearn, E.M, Patel, D.R, Lepore, B.W, Indic, M, van den Berg, B. | Deposit date: | 2007-08-31 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Transmembrane passage of hydrophobic compounds through a protein channel wall Nature, 458, 2009
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7W9V
| Cryo-EM structure of nucleosome in complex with p300 acetyltransferase catalytic core (complex I) | Descriptor: | DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Hatazawa, S, Liu, J, Takizawa, Y, Zandian, M, Negishi, L, Kutateladze, T.G, Kurumizaka, H. | Deposit date: | 2021-12-10 | Release date: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (3.95 Å) | Cite: | Structural basis for binding diversity of acetyltransferase p300 to the nucleosome. Iscience, 25, 2022
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4OVE
| X-ray Crystal Structure of Mouse Netrin-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Meier, M, Nikodemus, D, Reuten, R, Patel, T.R, Orriss, G, Okun, N, Koch, M, Stetefeld, J. | Deposit date: | 2014-02-21 | Release date: | 2015-02-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural Decoding of the Netrin-1/UNC5 Interaction and its Therapeutical Implications in Cancers. Cancer Cell, 29, 2016
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4K1F
| Crystal structure of reduced tryparedoxin peroxidase from leishmania major at 2.34 A resolution | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ilari, A, Fiorillo, A, Di Chiaro, F. | Deposit date: | 2013-04-05 | Release date: | 2014-04-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structure-based discovery of the first non-covalent inhibitors of Leishmania major tryparedoxin peroxidase by high throughput docking Sci Rep, 5, 2015
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7O0K
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7O0J
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4V8S
| Archaeal RNAP-DNA binary complex at 4.32Ang | Descriptor: | 5'-D(*AP*TP*AP*GP*AP*GP*TP*AP*TP*AP*AP*GP*AP*TP *AP*G)-3', 5'-D(*TP*CP*TP*TP*AP*TP*AP*CP*TP*CP*TP*AP*TP*CP)-3', DNA-DIRECTED RNA POLYMERASE, ... | Authors: | Wojtas, M.N, Mogni, M, Millet, O, Bell, S.D, Abrescia, N.G.A. | Deposit date: | 2012-07-12 | Release date: | 2014-07-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (4.323 Å) | Cite: | Structural and Functional Analyses of the Interaction of Archaeal RNA Polymerase with DNA. Nucleic Acids Res., 40, 2012
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8QE2
| Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 21 | Descriptor: | 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M. | Deposit date: | 2023-08-30 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.109 Å) | Cite: | Development of a Series of Pyrrolopyridone MAT2A Inhibitors. J.Med.Chem., 67, 2024
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