1YKR
| Crystal structure of cdk2 with an aminoimidazo pyridine inhibitor | Descriptor: | 4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2-A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE, Cell division protein kinase 2 | Authors: | Hamdouchi, C, Zhong, B, Mendoza, J, Jaramillo, C, Zhang, F, Brooks, H.B. | Deposit date: | 2005-01-18 | Release date: | 2006-01-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of a new class of highly selective aminoimidazo[1,2-a]pyridine-based inhibitors of cyclin dependent kinases Bioorg.Med.Chem.Lett., 15, 2005
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1PYE
| Crystal structure of CDK2 with inhibitor | Descriptor: | Cell division protein kinase 2, [2-AMINO-6-(2,6-DIFLUORO-BENZOYL)-IMIDAZO[1,2-A]PYRIDIN-3-YL]-PHENYL-METHANONE | Authors: | Zhang, F, Hamdouchi, C. | Deposit date: | 2003-07-08 | Release date: | 2004-07-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The discovery of a new structural class of cyclin-dependent kinase inhibitors, aminoimidazo[1,2-a]pyridines. MOL.CANCER THER., 3, 2004
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8FW5
| Chimeric HsGATOR1-SpGtr-SpLam complex | Descriptor: | ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ... | Authors: | Tettoni, S.D, Egri, S.B, Doxsey, D.D, Ouch, C, Chang, J, Song, K, Xu, C, Shen, K. | Deposit date: | 2023-01-20 | Release date: | 2023-07-26 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Structure of the Schizosaccharomyces pombe Gtr-Lam complex reveals evolutionary divergence of mTORC1-dependent amino acid sensing. Structure, 31, 2023
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8T9L
| Pom34-Pom152 membrane attachment site yeast NPC | Descriptor: | Nucleoporin POM152, Nucleoporin POM34 | Authors: | Akey, C.W, Echeverria, I, Ouch, C, Fernandez-Martinez, J, Rout, M.P. | Deposit date: | 2023-06-24 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Implications of a multiscale structure of the yeast nuclear pore complex. Mol.Cell, 83, 2023
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8TJ5
| Inner spoke ring of the yeast NPC | Descriptor: | Nucleoporin 59, Nucleoporin NIC96, Nucleoporin NSP1, ... | Authors: | Akey, C.W, Echeverria, I, Ouch, C, Fernandez-Martinez, J, Rout, M.P. | Deposit date: | 2023-07-20 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (6.6 Å) | Cite: | Implications of a multiscale structure of the yeast nuclear pore complex. Mol.Cell, 83, 2023
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8TIE
| Double nuclear outer ring of Nup84-complexes from the yeast NPC | Descriptor: | NUP133 isoform 1, NUP145 isoform 1, Nucleoporin NUP120, ... | Authors: | Akey, C.W, Echeverria, I, Ouch, C, Fernandez-Martinez, J, Rout, M.P. | Deposit date: | 2023-07-19 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (8.1 Å) | Cite: | Implications of a multiscale structure of the yeast nuclear pore complex. Mol.Cell, 83, 2023
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7N85
| Inner ring spoke from the isolated yeast NPC | Descriptor: | Nucleoporin ASM4, Nucleoporin NIC96, Nucleoporin NSP1, ... | Authors: | Akey, C.W, Rout, M.P, Ouch, C, Echevarria, I, Fernandez-Martinez, J, Nudelman, I. | Deposit date: | 2021-06-13 | Release date: | 2022-01-26 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (7.6 Å) | Cite: | Comprehensive structure and functional adaptations of the yeast nuclear pore complex. Cell, 185, 2022
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7N84
| Double nuclear outer ring from the isolated yeast NPC | Descriptor: | Nucleoporin 145c, Nucleoporin NUP120, Nucleoporin NUP133, ... | Authors: | Akey, C.W, Rout, M.P, Ouch, C, Echevarria, I, Fernandez-Martinez, J, Nudelman, I. | Deposit date: | 2021-06-13 | Release date: | 2022-01-26 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (11.6 Å) | Cite: | Comprehensive structure and functional adaptations of the yeast nuclear pore complex. Cell, 185, 2022
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8D8O
| Cryo-EM structure of substrate unbound PAPP-A | Descriptor: | Pappalysin-1, ZINC ION | Authors: | Judge, R.A, Jain, R, Hao, Q, Ouch, C, Sridar, J, Smith, C.L, Wang, J.C.K, Eaton, D. | Deposit date: | 2022-06-08 | Release date: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Structure of the PAPP-ABP5 complex reveals mechanism of substrate recognition Nat Commun, 13, 2022
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7UFG
| Cryo-EM structure of PAPP-A in complex with IGFBP5 | Descriptor: | Insulin-like growth factor-binding protein 5, Pappalysin-1, ZINC ION | Authors: | Judge, R.A, Jain, R, Hao, Q, Ouch, C, Sridar, J, Smith, C.L, Wang, J.C.K, Eaton, D. | Deposit date: | 2022-03-22 | Release date: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structure of the PAPP-ABP5 complex reveals mechanism of substrate recognition Nat Commun, 13, 2022
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5KW2
| The extra-helical binding site of GPR40 and the structural basis for allosteric agonism and incretin stimulation | Descriptor: | (3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid, Free fatty acid receptor 1,Lysozyme,Free fatty acid receptor 1 | Authors: | Ho, J.D, Chau, B, Rodgers, L, Lu, F, Wilbur, K.L, Otto, K.A, Chen, Y, Song, M, Riley, J.P, Yang, H.-C, Reynolds, N.A, Kahl, S.D, Lewis, A.P, Groshong, C, Madsen, R.E, Conners, K, Linswala, J.P, Gheyi, T, Saflor, M.D, Lee, M.R, Benach, J, Baker, K.A, Montrose-Rafizadeh, C, Genin, M.J, Miller, A.R, Hamdouchi, C. | Deposit date: | 2016-07-15 | Release date: | 2018-05-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structural basis for GPR40 allosteric agonism and incretin stimulation. Nat Commun, 9, 2018
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4XX5
| Structure of PI3K gamma in complex with an inhibitor | Descriptor: | N-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M. | Deposit date: | 2015-01-29 | Release date: | 2015-08-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structure of PI3K gamma in complex with an inhibitor To Be Published
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4XZ4
| Structure of PI3K gamma in complex with an inhibitor | Descriptor: | N-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M. | Deposit date: | 2015-02-03 | Release date: | 2016-02-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of PI3K gamma in complex with an inhibitor To Be Published
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3ZLS
| Crystal structure of MEK1 in complex with fragment 6 | Descriptor: | 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION | Authors: | Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. | Deposit date: | 2013-02-04 | Release date: | 2013-05-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
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3ZM4
| Crystal structure of MEK1 in complex with fragment 1 | Descriptor: | 7-chloranyl-6-[(3S)-pyrrolidin-3-yl]oxy-2H-isoquinolin-1-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 | Authors: | Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. | Deposit date: | 2013-02-05 | Release date: | 2013-05-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
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3ZLY
| Crystal structure of MEK1 in complex with fragment 8 | Descriptor: | 3-AMINO-1H-INDAZOLE-4-CARBONITRILE, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION | Authors: | Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. | Deposit date: | 2013-02-04 | Release date: | 2013-05-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
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3ZLW
| Crystal structure of MEK1 in complex with fragment 3 | Descriptor: | (1R)-1-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 MAPK/ERK KINASE 1, MEK 1, ... | Authors: | Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. | Deposit date: | 2013-02-04 | Release date: | 2013-05-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
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3ZLX
| Crystal structure of MEK1 in complex with fragment 18 | Descriptor: | 7-choro-6-[(3R)-pyrrolidin-3-ylmethoxy]isoquinolin-1(2H)-one, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 | Authors: | Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. | Deposit date: | 2013-02-04 | Release date: | 2013-05-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1. Bioorg.Med.Chem.Lett., 23, 2013
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8RCY
| L-SIGN CRD in complex with Man84. | Descriptor: | 1-[[1-[(2S,3S,4R,5S,6R)-2-(2-chloroethyloxy)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methyl]guanidine, C-type lectin domain family 4 member M, CALCIUM ION, ... | Authors: | Thepaut, M, Bouchikri, C, Pollastri, S, Bernardi, A, Fieschi, F. | Deposit date: | 2023-12-07 | Release date: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Unprecedented selectivity for homologous lectin targets: differential targeting of the viral receptors L-SIGN and DC-SIGN. Chem Sci, 15, 2024
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7N9F
| Structure of the in situ yeast NPC | Descriptor: | Dynein light chain 1, cytoplasmic, Nucleoporin 145c, ... | Authors: | Villa, E, Singh, D, Ludtke, S.J, Akey, C.W, Rout, M.P, Echeverria, I, Suslov, S. | Deposit date: | 2021-06-17 | Release date: | 2022-01-26 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (37 Å) | Cite: | Comprehensive structure and functional adaptations of the yeast nuclear pore complex. Cell, 185, 2022
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7T3A
| GATOR1-RAG-RAGULATOR - Inhibitory Complex | Descriptor: | GATOR complex protein DEPDC5, GATOR complex protein NPRL2, GATOR complex protein NPRL3, ... | Authors: | Egri, S.B, Shen, K. | Deposit date: | 2021-12-07 | Release date: | 2022-04-06 | Last modified: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism. Mol.Cell, 82, 2022
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7T3B
| GATOR1-RAG-RAGULATOR - GAP Complex | Descriptor: | ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ... | Authors: | Egri, S.B, Shen, K. | Deposit date: | 2021-12-07 | Release date: | 2022-04-06 | Last modified: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism. Mol.Cell, 82, 2022
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7T3C
| GATOR1-RAG-RAGULATOR - Dual Complex | Descriptor: | ALUMINUM FLUORIDE, GATOR complex protein DEPDC5, GATOR complex protein NPRL2, ... | Authors: | Egri, S.B, Shen, K. | Deposit date: | 2021-12-07 | Release date: | 2022-04-06 | Last modified: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-EM structures of the human GATOR1-Rag-Ragulator complex reveal a spatial-constraint regulated GAP mechanism. Mol.Cell, 82, 2022
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4JMU
| Crystal structure of HIV matrix residues 1-111 in complex with inhibitor | Descriptor: | 5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid, Gag-Pol polyprotein, SULFATE ION | Authors: | Lemke, C.T. | Deposit date: | 2013-03-14 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enantiomeric Atropisomers Inhibit HCV Polymerase and/or HIV Matrix: Characterizing Hindered Bond Rotations and Target Selectivity. J.Med.Chem., 57, 2014
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4JVQ
| Crystal structure of hcv ns5b polymerase in complex with compound 9 | Descriptor: | 5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid, GLYCEROL, Genome polyprotein, ... | Authors: | Coulombe, R. | Deposit date: | 2013-03-26 | Release date: | 2014-02-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Enantiomeric Atropisomers Inhibit HCV Polymerase and/or HIV Matrix: Characterizing Hindered Bond Rotations and Target Selectivity. J.Med.Chem., 57, 2014
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