4F2L
| Structure of a regulatory domain of AMPK | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, MAGNESIUM ION | Authors: | Xin, F.J, Zhang, Y.Y, Wang, J, Wang, Z.X, Wu, J.W. | Deposit date: | 2012-05-08 | Release date: | 2013-06-26 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Conserved regulatory elements in AMPK Nature, 498, 2013
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2M5H
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3NZU
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3NZS
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3T8M
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3TL5
| Discovery of GDC-0980: a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor for the Treatment of Cancer | Descriptor: | (2S)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Wiesmann, C. | Deposit date: | 2011-08-29 | Release date: | 2011-11-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.788 Å) | Cite: | Discovery of a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor (GDC-0980) for the Treatment of Cancer. J.Med.Chem., 54, 2011
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6JDJ
| Crystal structure of AcrIIC2 dimer in complex with partial Nme1Cas9 | Descriptor: | AcrIIC2, CRISPR-associated endonuclease Cas9 | Authors: | Cheng, Z, Huang, X, Sun, W, Wang, Y. | Deposit date: | 2019-02-01 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Inhibition of CRISPR-Cas9 ribonucleoprotein complex assembly by anti-CRISPR AcrIIC2. Nat Commun, 10, 2019
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7KDT
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5SQ0
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5SPZ
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5SPX
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5SQ1
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5SQ2
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5SQ3
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5SPY
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4W2R
| Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | Descriptor: | 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | Authors: | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | Deposit date: | 2017-09-25 | Release date: | 2017-12-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497). J. Med. Chem., 61, 2018
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8JHU
| Legionella effector protein SidI | Descriptor: | Legionella pneumophila effector protein SidI | Authors: | Wang, L, Subramanian, A, Mukherjee, S, Walter, P. | Deposit date: | 2023-05-25 | Release date: | 2023-08-30 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | A Legionella toxin exhibits tRNA mimicry and glycosyl transferase activity to target the translation machinery and trigger a ribotoxic stress response. Nat.Cell Biol., 25, 2023
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4U75
| HsMetAP (F309M) in complex with Methionine | Descriptor: | COBALT (II) ION, GLYCEROL, METHIONINE, ... | Authors: | Arya, T, Addlagatta, A. | Deposit date: | 2014-07-30 | Release date: | 2015-03-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
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4U6E
| HsMetAP in complex with (amino(phenyl)methyl)phosphonic acid | Descriptor: | COBALT (II) ION, Methionine aminopeptidase 1, [(R)-amino(phenyl)methyl]phosphonic acid | Authors: | Arya, T, Addlagatta, A. | Deposit date: | 2014-07-28 | Release date: | 2015-03-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
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4U6Z
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6B7H
| Structure of mGluR3 with an agonist | Descriptor: | (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Monn, J.A, Clawson, D.K. | Deposit date: | 2017-10-04 | Release date: | 2018-04-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Synthesis and Pharmacological Characterization of C4beta-Amide-Substituted 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1 S,2 S,4 S,5 R,6 S)-2-Amino-4-[(3-methoxybenzoyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2794193), a Highly Potent and Selective mGlu3Receptor Agonist. J. Med. Chem., 61, 2018
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5CNI
| mGlu2 with Glutamate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ... | Authors: | Clawson, D.K, Atwell, S, Monn, J.A. | Deposit date: | 2015-07-17 | Release date: | 2015-09-09 | Last modified: | 2023-02-15 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist. J.Med.Chem., 58, 2015
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4XAR
| mGluR2 ECD and mGluR3 ECD complex with ligands | Descriptor: | (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, IODIDE ION, Metabotropic glutamate receptor 3 | Authors: | Clawson, D.K. | Deposit date: | 2014-12-15 | Release date: | 2015-02-11 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures. J.Med.Chem., 58, 2015
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4XAS
| mGluR2 ECD ligand complex | Descriptor: | (1R,4S,5S,6S)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid, Metabotropic glutamate receptor 2 | Authors: | Clawson, D.K. | Deposit date: | 2014-12-15 | Release date: | 2015-02-04 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures. J.Med.Chem., 58, 2015
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5CNJ
| mGlur2 with glutamate analog | Descriptor: | (1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2 | Authors: | Monn, J.A, Clawson, D.K. | Deposit date: | 2015-07-17 | Release date: | 2015-09-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist. J.Med.Chem., 58, 2015
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