5EN7
 
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8RDX
 | | PGGtase I in complex with probe BAY-6092 | | Descriptor: | (5~{R})-5-(2-methoxyphenyl)-9-[(2~{R})-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]-3,9-diazaspiro[5.5]undecan-2-one, CHLORIDE ION, DIPHOSPHATE, ... | | Authors: | Steuber, H. | | Deposit date: | 2023-12-08 | | Release date: | 2024-02-14 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (3.67 Å) | | Cite: | Discovery of YAP1/TAZ pathway inhibitors through phenotypic screening with potent anti-tumor activity via blockade of Rho-GTPase signaling.
Cell Chem Biol, 31, 2024
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4P58
 | | Crystal structure of mouse comt bound to an inhibitor | | Descriptor: | 1',3'-dimethyl-1H,1'H-3,4'-bipyrazole, Catechol O-methyltransferase | | Authors: | Lanier, M. | | Deposit date: | 2014-03-15 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | A fragment-based approach to identifying S-adenosyl-l-methionine -competitive inhibitors of catechol O-methyl transferase (COMT).
J.Med.Chem., 57, 2014
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5B71
 | | Crystal structure of complement C5 in complex with SKY59 | | Descriptor: | Complement C5 beta chain, SKY59 Fab heavy chain, SKY59 Fab light chain | | Authors: | Irie, M, Shimizu, Y, Sampei, Z, Fukuzawa, T. | | Deposit date: | 2016-06-03 | | Release date: | 2017-05-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Long lasting neutralization of C5 by SKY59, a novel recycling antibody, is a potential therapy for complement-mediated diseases.
Sci Rep, 7, 2017
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8DD5
 | | Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363) | | Descriptor: | 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION | | Authors: | Greasley, S.E, Johnson, E, Brodsky, O. | | Deposit date: | 2022-06-17 | | Release date: | 2023-07-05 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363
To Be Published
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5X6C
 | | Crystal structure of SepRS-SepCysE from Methanocaldococcus jannaschii | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, O-phosphoserine--tRNA(Cys) ligase, SULFATE ION, ... | | Authors: | Chen, M, Kato, K, Yao, M. | | Deposit date: | 2017-02-21 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.101 Å) | | Cite: | Structural basis for tRNA-dependent cysteine biosynthesis
Nat Commun, 8, 2017
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5X6B
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8JH0
 | | Crystal structure of the light-driven sodium pump IaNaR | | Descriptor: | RETINAL, Xanthorhodopsin | | Authors: | Hashimoto, T, Kato, K, Tanaka, Y, Yao, M, Kikukawa, T. | | Deposit date: | 2023-05-22 | | Release date: | 2023-11-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Multistep conformational changes leading to the gate opening of light-driven sodium pump rhodopsin.
J.Biol.Chem., 299, 2023
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7UJ4
 | | Inhibition of Human Menin by SNDX-5613 | | Descriptor: | 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, Isoform 2 of Menin, MAGNESIUM ION | | Authors: | McKeever, B.M, Kulkarni, S, McGeehan, G.M. | | Deposit date: | 2022-03-30 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | MEN1 mutations mediate clinical resistance to menin inhibition.
Nature, 615, 2023
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8SKQ
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8Q68
 | | Crystal structure of TEAD1-YBD in complex with irreversible compound SWTX-143 | | Descriptor: | Transcriptional enhancer factor TEF-1, ~{N}-[(3~{S})-5-azanyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2~{H}-quinolin-3-yl]propanamide | | Authors: | Ciesielski, F, Spieser, S.A.H, Marchand, A, Gwaltney, S.L. | | Deposit date: | 2023-08-11 | | Release date: | 2023-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | A Novel Irreversible TEAD Inhibitor, SWTX-143, Blocks Hippo Pathway Transcriptional Output and Causes Tumor Regression in Preclinical Mesothelioma Models.
Mol.Cancer Ther., 23, 2024
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8EB2
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8E90
 | | Inhibition of Human Menin by SNDX-5613 | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, ... | | Authors: | McKeever, B.M, KULKARNI, S, McGeehan, G.M. | | Deposit date: | 2022-08-26 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | MEN1 mutations mediate clinical resistance to menin inhibition.
Nature, 615, 2023
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7F4V
 | | Cryo-EM structure of a primordial cyanobacterial photosystem I | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Kato, K, Hamaguchi, T, Nagao, R, Kawakami, K, Yonekura, K, Shen, J.R. | | Deposit date: | 2021-06-21 | | Release date: | 2022-04-06 | | Method: | ELECTRON MICROSCOPY (2.04 Å) | | Cite: | Structural basis for the absence of low-energy chlorophylls responsible for photoprotection from a primitive cyanobacterial PSI
Biorxiv, 2022
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5J79
 | | The identification and pharmacological characterization of 6-(tert-butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a highly potent and selective inhibitor of RIP2 Kinase, Compound 3 complex | | Descriptor: | 4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol, Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION | | Authors: | Convery, M.A, Casillas, L.N, Haile, P.A, Votta, B.J, Lakdawala, A.S. | | Deposit date: | 2016-04-06 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | The Identification and Pharmacological Characterization of 6-(tert-Butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a Highly Potent and Selective Inhibitor of RIP2 Kinase.
J.Med.Chem., 59, 2016
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4TTH
 | | Crystal structure of a CDK6/Vcyclin complex with inhibitor bound | | Descriptor: | 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6 | | Authors: | Piper, D.E, Walker, N, Wang, Z. | | Deposit date: | 2014-06-20 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.
J.Med.Chem., 57, 2014
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5J7B
 | | The identification and pharmacological characterization of 6-(tert-butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a highly potent and selective inhibitor of RIP2 Kinase, GSK583 complex | | Descriptor: | 6-(tert-butylsulfonyl)-N-(5-fluoro-2H-indazol-3-yl)quinolin-4-amine, Receptor-interacting serine/threonine-protein kinase 2 | | Authors: | Convery, M.A, Casillas, L.N, Haile, P.A, Votta, B.J, Lakdawala, A.S. | | Deposit date: | 2016-04-06 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | The Identification and Pharmacological Characterization of 6-(tert-Butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a Highly Potent and Selective Inhibitor of RIP2 Kinase.
J.Med.Chem., 59, 2016
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7D45
 | | eIF2B-eIF2(aP), aP1 complex | | Descriptor: | Eukaryotic translation initiation factor 2 subunit 1, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ... | | Authors: | Kashiwagi, K, Ito, T. | | Deposit date: | 2020-09-22 | | Release date: | 2020-12-09 | | Last modified: | 2021-01-27 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | ISRIB Blunts the Integrated Stress Response by Allosterically Antagonising the Inhibitory Effect of Phosphorylated eIF2 on eIF2B.
Mol.Cell, 81, 2021
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7D44
 | | eIF2B-eIF2(aP), aP2 complex | | Descriptor: | Eukaryotic translation initiation factor 2 subunit 1, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ... | | Authors: | Kashiwagi, K, Ito, T. | | Deposit date: | 2020-09-22 | | Release date: | 2020-12-09 | | Last modified: | 2021-01-27 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | ISRIB Blunts the Integrated Stress Response by Allosterically Antagonising the Inhibitory Effect of Phosphorylated eIF2 on eIF2B.
Mol.Cell, 81, 2021
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6FZJ
 | | PPAR gamma mutant complex | | Descriptor: | (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, CHLORIDE ION, IODIDE ION, ... | | Authors: | Rochel, N. | | Deposit date: | 2018-03-14 | | Release date: | 2019-02-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.011 Å) | | Cite: | Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
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7D46
 | | eIF2B apo | | Descriptor: | Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, Translation initiation factor eIF-2B subunit delta, ... | | Authors: | Kashiwagi, K, Ito, T. | | Deposit date: | 2020-09-22 | | Release date: | 2020-12-09 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | ISRIB Blunts the Integrated Stress Response by Allosterically Antagonising the Inhibitory Effect of Phosphorylated eIF2 on eIF2B.
Mol.Cell, 81, 2021
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7D43
 | | eIF2B-eIF2(aP), aPg complex | | Descriptor: | Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 2, Eukaryotic translation initiation factor 2 subunit 3, ... | | Authors: | Kashiwagi, K, Ito, T. | | Deposit date: | 2020-09-22 | | Release date: | 2020-12-09 | | Last modified: | 2021-01-27 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | ISRIB Blunts the Integrated Stress Response by Allosterically Antagonising the Inhibitory Effect of Phosphorylated eIF2 on eIF2B.
Mol.Cell, 81, 2021
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6N3L
 | | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | | Descriptor: | N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2 | | Authors: | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | | Deposit date: | 2018-11-15 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
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6FZY
 | | PPAR mutant | | Descriptor: | Peroxisome proliferator-activated receptor gamma | | Authors: | Rochel, N. | | Deposit date: | 2018-03-15 | | Release date: | 2019-02-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
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6FZG
 | | PPAR gamma mutant complex | | Descriptor: | (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, CHLORIDE ION, Peroxisome proliferator-activated receptor gamma | | Authors: | Rochel, N. | | Deposit date: | 2018-03-14 | | Release date: | 2019-02-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
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