7KCC
 
 | | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AG-270 | | Descriptor: | 1,2-ETHANEDIOL, 3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one, CHLORIDE ION, ... | | Authors: | Padyana, A, Jin, L. | | Deposit date: | 2020-10-05 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous MTAP Deletion.
J.Med.Chem., 64, 2021
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7M4T
 | | Menin bound to M-1121 | | Descriptor: | Menin, methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate, praseodymium triacetate | | Authors: | Stuckey, J. | | Deposit date: | 2021-03-22 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Discovery of M-1121 as an Orally Active Covalent Inhibitor of Menin-MLL Interaction Capable of Achieving Complete and Long-Lasting Tumor Regression.
J.Med.Chem., 64, 2021
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3LGP
 | | Crystal structure of catalytic domain of tace with benzimidazolyl-thienyl-tartrate based inhibitor | | Descriptor: | (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide, Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION | | Authors: | Orth, P. | | Deposit date: | 2010-01-21 | | Release date: | 2010-07-28 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and activity relationships of tartrate-based TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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7YI8
 | | Cryo-EM structure of SAH-bound MTA1-MTA9-p1-p2 complex | | Descriptor: | MT-a70 family protein, MTA9, P1, ... | | Authors: | Yan, J.J, Guan, Z.Y, Liu, F.Q, Yan, X.H, Hou, M.J, Yin, P. | | Deposit date: | 2022-07-15 | | Release date: | 2023-01-18 | | Last modified: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural insights into DNA N 6 -adenine methylation by the MTA1 complex.
Cell Discov, 9, 2023
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7YI9
 | | Cryo-EM structure of SAM-bound MTA1-MTA9-p1-p2 complex | | Descriptor: | MT-a70 family protein, MTA9, P1, ... | | Authors: | Yan, J.J, Guan, Z.Y, Liu, F.Q, Yan, X.H, Hou, M.J, Yin, P. | | Deposit date: | 2022-07-15 | | Release date: | 2023-01-18 | | Last modified: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural insights into DNA N 6 -adenine methylation by the MTA1 complex.
Cell Discov, 9, 2023
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6J60
 | | hnRNP A1 reversible amyloid core GFGGNDNFG (residues 209-217) | | Descriptor: | 9-mer peptide (GFGGNDNFG) from Heterogeneous nuclear ribonucleoprotein A1 | | Authors: | Luo, F, Zhou, H, Gui, X, Li, D, Li, X, Liu, C. | | Deposit date: | 2019-01-12 | | Release date: | 2019-04-03 | | Last modified: | 2024-03-27 | | Method: | ELECTRON CRYSTALLOGRAPHY (0.96 Å) | | Cite: | Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly.
Nat Commun, 10, 2019
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6PT2
 | | Crystal structure of the active delta opioid receptor in complex with the peptide agonist KGCHM07 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Delta opioid receptor, ... | | Authors: | Claff, T, Yu, J, Blais, V, Patel, N, Martin, C, Wu, L, Han, G.W, Holleran, B.J, Van der Poorten, O, Hanson, M.A, Sarret, P, Gendron, L, Cherezov, V, Katritch, V, Ballet, S, Liu, Z, Muller, C.E, Stevens, R.C. | | Deposit date: | 2019-07-14 | | Release date: | 2019-12-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Elucidating the active delta-opioid receptor crystal structure with peptide and small-molecule agonists.
Sci Adv, 5, 2019
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7M7W
 | | Antibodies to the SARS-CoV-2 receptor-binding domain that maximize breadth and resistance to viral escape | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Monoclonal antibody S2H97 Fab heavy chain, Monoclonal antibody S2H97 Fab light chain, ... | | Authors: | Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M. | | Deposit date: | 2021-03-29 | | Release date: | 2021-05-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
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3OQ7
 | | Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants | | Descriptor: | HIV-1 Protease | | Authors: | Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C. | | Deposit date: | 2010-09-02 | | Release date: | 2011-04-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants.
Acta Crystallogr.,Sect.D, 67, 2011
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3OQA
 | | Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants | | Descriptor: | HIV-1 Protease | | Authors: | Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C. | | Deposit date: | 2010-09-02 | | Release date: | 2011-04-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants.
Acta Crystallogr.,Sect.D, 67, 2011
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3KME
 | | Crystal structure of catalytic domain of TACE with phenyl-pyrrolidinyl-tartrate inhibitor | | Descriptor: | (2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | | Authors: | Orth, P. | | Deposit date: | 2009-11-10 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
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5HG9
 | | EGFR (L858R, T790M, V948R) in complex with 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]prop-2-en-1-one | | Descriptor: | 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor, GLYCEROL, ... | | Authors: | Gajiwala, K.S. | | Deposit date: | 2016-01-08 | | Release date: | 2016-02-03 | | Last modified: | 2016-03-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
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5HG8
 | | EGFR (L858R, T790M, V948R) in complex with N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]prop-2-enamide | | Descriptor: | Epidermal growth factor receptor, GLYCEROL, N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide, ... | | Authors: | Gajiwala, K.S. | | Deposit date: | 2016-01-08 | | Release date: | 2016-02-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
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5HG5
 | | EGFR (L858R, T790M, V948R) in complex with N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | | Descriptor: | Epidermal growth factor receptor, GLYCEROL, N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}propanamide, ... | | Authors: | Gajiwala, K.S. | | Deposit date: | 2016-01-08 | | Release date: | 2016-02-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
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6AGL
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6AGM
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5IL0
 | | Crystal structural of the METTL3-METTL14 complex for N6-adenosine methylation | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, METTL14, ... | | Authors: | Wang, X, Guan, Z, Zou, T, Yin, P. | | Deposit date: | 2016-03-04 | | Release date: | 2016-05-25 | | Last modified: | 2016-06-29 | | Method: | X-RAY DIFFRACTION (1.882 Å) | | Cite: | Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex
Nature, 534, 2016
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5IL1
 | | Crystal structure of SAM-bound METTL3-METTL14 complex | | Descriptor: | 1,2-ETHANEDIOL, METTL14, METTL3, ... | | Authors: | Wang, X, Guan, Z, Zou, T, Yin, P. | | Deposit date: | 2016-03-04 | | Release date: | 2016-05-25 | | Last modified: | 2016-06-29 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex
Nature, 534, 2016
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5IL2
 | | Crystal structure of SAH-bound METTL3-METTL14 complex | | Descriptor: | 1,2-ETHANEDIOL, METTL14, METTL3, ... | | Authors: | Wang, X, Guan, Z, Zou, T, Yin, P. | | Deposit date: | 2016-03-04 | | Release date: | 2016-05-25 | | Last modified: | 2016-06-29 | | Method: | X-RAY DIFFRACTION (1.606 Å) | | Cite: | Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex
Nature, 534, 2016
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6VJT
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5HG7
 | | EGFR (L858R, T790M, V948R) in complex with 1-{(3R,4R)-3-[5-Chloro-2-(1-methyl-1H-pyrazol-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxymethyl]-4-methoxy-pyrrolidin-1-yl}propenone (PF-06459988) | | Descriptor: | 1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one, Epidermal growth factor receptor, SULFATE ION | | Authors: | Gajiwala, K.S. | | Deposit date: | 2016-01-08 | | Release date: | 2016-01-27 | | Last modified: | 2016-03-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
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3OHI
 | | Structure of Giardia fructose-1,6-biphosphate aldolase in complex with 3-hydroxy-2-pyridone | | Descriptor: | ({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid, Putative fructose-1,6-bisphosphate aldolase, ZINC ION | | Authors: | Herzberg, O, Galkin, A. | | Deposit date: | 2010-08-17 | | Release date: | 2011-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rational design, synthesis and evaluation of first generation inhibitors of the Giardia lamblia fructose-1,6-biphosphate aldolase.
J.Inorg.Biochem., 105, 2010
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6DFV
 | | Mouse diabetogenic TCR 8F10 | | Descriptor: | 1,2-ETHANEDIOL, TCR alpha chain, TCR beta chain | | Authors: | Wang, Y, Dai, S. | | Deposit date: | 2018-05-15 | | Release date: | 2019-04-17 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
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6DFW
 | | TCR 8F10 in complex with IAg7-p8G9E | | Descriptor: | 8F10 alpha chain, 8F10 beta chain, H-2 class II histocompatibility antigen, ... | | Authors: | Wang, Y, Dai, S. | | Deposit date: | 2018-05-15 | | Release date: | 2019-04-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
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6DFS
 | | mouse TCR I.29 in complex with IAg7-p8E9E6ss | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 class II histocompatibility antigen, A-D alpha chain, ... | | Authors: | Wang, Y, Dai, S. | | Deposit date: | 2018-05-15 | | Release date: | 2019-04-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes.
Sci Immunol, 4, 2019
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