1R8H
 
 | | Comparison of the structure and DNA binding properties of the E2 proteins from an oncogenic and a non-oncogenic human papillomavirus | | Descriptor: | PHOSPHATE ION, Regulatory protein E2 | | Authors: | Dell, G, Wilkinson, K.W, Tranter, R, Parish, J, Brady, R.L, Gaston, K. | | Deposit date: | 2003-10-24 | | Release date: | 2003-12-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Comparison of the structure and DNA-binding properties of the E2 proteins from an oncogenic and a non-oncogenic human papillomavirus.
J.Mol.Biol., 334, 2003
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1UXB
 | | ADENOVIRUS AD19p FIBRE HEAD in complex with sialyl-lactose | | Descriptor: | ACETATE ION, FIBER PROTEIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | | Authors: | Burmeister, W.P, Guilligay, D, Cusack, S, Wadell, G, Arnberg, N. | | Deposit date: | 2004-02-24 | | Release date: | 2004-07-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of Species D Adenovirus Fiber Knobs and Their Sialic Acid Binding Sites
J.Virol., 78, 2004
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1UXA
 | | ADENOVIRUS AD37 FIBRE HEAD in complex with sialyl-lactose | | Descriptor: | ACETATE ION, FIBER PROTEIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | | Authors: | Burmeister, W.P, Guilligay, D, Cusack, S, Wadell, G, Arnberg, N. | | Deposit date: | 2004-02-24 | | Release date: | 2004-07-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of Species D Adenovirus Fiber Knobs and Their Sialic Acid Binding Sites
J.Virol., 78, 2004
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1UXE
 | | ADENOVIRUS AD37 FIBRE HEAD | | Descriptor: | ACETATE ION, FIBER PROTEIN, ZINC ION | | Authors: | Burmeister, W.P, Guilligay, D, Cusack, S, Wadell, G, Arnberg, N. | | Deposit date: | 2004-02-24 | | Release date: | 2004-07-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Species D Adenovirus Fiber Knobs and Their Sialic Acid Binding Sites
J.Virol., 78, 2004
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7T3D
 | | CryoEM map of anchor 222-1C06 Fab and lateral patch 2B05 Fab binding H1 HA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 222-1C06 mAb heavy chain, ... | | Authors: | Han, J, Ward, A.B. | | Deposit date: | 2021-12-07 | | Release date: | 2022-01-12 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Broadly neutralizing antibodies target a haemagglutinin anchor epitope.
Nature, 602, 2022
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6MBP
 | | GLP Methyltransferase with Inhibitor EML741- P3121 Crystal Form | | Descriptor: | 1,2-ETHANEDIOL, 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine, Histone-lysine N-methyltransferase EHMT1, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2018-08-30 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.947 Å) | | Cite: | Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure.
J. Med. Chem., 62, 2019
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6MBO
 | | GLP Methyltransferase with Inhibitor EML741-P212121 Crystal Form | | Descriptor: | 1,2-ETHANEDIOL, 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine, Histone-lysine N-methyltransferase EHMT1, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2018-08-30 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.591 Å) | | Cite: | Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure.
J. Med. Chem., 62, 2019
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6GOU
 | | Development of Alkyl Glycerone Phosphate Synthase Inhibitors: Complex with Inhibitor 2I | | Descriptor: | (3~{S})-3-[2,6-bis(fluoranyl)phenyl]-~{N}-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide, Alkyldihydroxyacetonephosphate synthase, peroxisomal, ... | | Authors: | Mattevi, A, Piano, V. | | Deposit date: | 2018-06-04 | | Release date: | 2019-01-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Development of alkyl glycerone phosphate synthase inhibitors: Structure-activity relationship and effects on ether lipids and epithelial-mesenchymal transition in cancer cells.
Eur J Med Chem, 163, 2018
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7NUE
 | | Crystal structure of mouse PRMT6 in complex with inhibitor EML736 | | Descriptor: | Protein arginine N-methyltransferase 6, methyl 6-[5-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate | | Authors: | Bonnefond, L, Cavarelli, J. | | Deposit date: | 2021-03-11 | | Release date: | 2022-03-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
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7NUD
 | | Crystal structure of mouse PRMT6 in complex with inhibitor EML734 | | Descriptor: | Protein arginine N-methyltransferase 6, methyl 6-[3-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]propylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate | | Authors: | Bonnefond, L, Cavarelli, J. | | Deposit date: | 2021-03-11 | | Release date: | 2022-03-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
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7P2R
 | | Crystal structure of mouse PRMT6 in complex with inhibitor EML980 | | Descriptor: | Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE, methyl 6-[4-[[N-[2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate | | Authors: | Bonnefond, L, Cavarelli, J. | | Deposit date: | 2021-07-06 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
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7PUQ
 | | CARM1 in complex with EML982 | | Descriptor: | 1,2-ETHANEDIOL, Histone-arginine methyltransferase CARM1, methyl 6-[4-[[~{N}-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate | | Authors: | Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2021-09-30 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
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7PPY
 | | CARM1 in complex with EML709 | | Descriptor: | 1,2-ETHANEDIOL, Histone-arginine methyltransferase CARM1, methyl 6-[4-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate | | Authors: | Marechal, N, Cura, V, Bonnefond, L, Troffer-Charlier, N, Cavarelli, J. | | Deposit date: | 2021-09-15 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
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7PV6
 | | CARM1 in complex with EML734 | | Descriptor: | 1,2-ETHANEDIOL, Histone-arginine methyltransferase CARM1, TETRAETHYLENE GLYCOL, ... | | Authors: | Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2021-10-01 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
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7PU8
 | | CARM1 in complex with EML980 | | Descriptor: | 1,2-ETHANEDIOL, Histone-arginine methyltransferase CARM1, methyl 6-[4-[[N-[2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate | | Authors: | Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2021-09-28 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
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7PPQ
 | | CARM1 in complex with EML736 | | Descriptor: | 1,2-ETHANEDIOL, Histone-arginine methyltransferase CARM1, methyl 6-[5-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate | | Authors: | Marechal, N, Cura, V, Bonnefond, L, Troffer-Charlier, N, Cavarelli, J. | | Deposit date: | 2021-09-14 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
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7PUC
 | | CARM1 in complex with EML981 | | Descriptor: | 1,2-ETHANEDIOL, Histone-arginine methyltransferase CARM1, methyl 6-[4-[[~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate | | Authors: | Marechal, N, Cura, V, Bonnefond, L, Troffer-Charlier, N, Cavarelli, J. | | Deposit date: | 2021-09-29 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
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6V5A
 | | Crystal structure of the human BK channel gating ring L390P mutant | | Descriptor: | CALCIUM ION, Calcium-activated potassium channel subunit alpha-1, SULFATE ION | | Authors: | Deng, Z, Yuan, P. | | Deposit date: | 2019-12-03 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Coupling of Ca2+and voltage activation in BK channels through the alpha B helix/voltage sensor interface.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8TGD
 | | STX-478, a Mutant-Selective, Allosteric Inhibitor bound to H1047R PI3Kalpha | | Descriptor: | 1,2-ETHANEDIOL, N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, ... | | Authors: | Hilbert, B, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J. | | Deposit date: | 2023-07-12 | | Release date: | 2023-09-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.928 Å) | | Cite: | STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts.
Cancer Discov, 13, 2023
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8TDU
 | | STX-478, a Mutant-Selective, Allosteric Inhibitor bound to PI3Kalpha | | Descriptor: | N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | Authors: | Hilbert, B.J, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J. | | Deposit date: | 2023-07-05 | | Release date: | 2023-09-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts.
Cancer Discov, 13, 2023
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5JSG
 | | Crystal structure of Spindlin1 bound to compound EML405 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Spindlin-1, ... | | Authors: | Su, X, Li, H. | | Deposit date: | 2016-05-08 | | Release date: | 2017-05-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Developing Spindlin1 small-molecule inhibitors by using protein microarrays
Nat. Chem. Biol., 13, 2017
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5JSJ
 | | Crystal structure of Spindlin1 bound to compound EML631 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Spindlin-1, ... | | Authors: | Su, X, Li, H. | | Deposit date: | 2016-05-08 | | Release date: | 2017-05-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.348 Å) | | Cite: | Developing Spindlin1 small-molecule inhibitors by using protein microarrays
Nat. Chem. Biol., 13, 2017
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6TUY
 | | Human LSD1/CoREST bound to the quinazoline inhibitor MC4106 | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Mattevi, A, Marrocco, B. | | Deposit date: | 2020-01-08 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Novel non-covalent LSD1 inhibitors endowed with anticancer effects in leukemia and solid tumor cellular models.
Eur.J.Med.Chem., 237, 2022
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2LOU
 | | AR55 solubilised in DPC micelles | | Descriptor: | Apelin receptor | | Authors: | Langelaan, D.N, Rainey, J.K. | | Deposit date: | 2012-01-27 | | Release date: | 2013-01-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural features of the apelin receptor N-terminal tail and first transmembrane segment implicated in ligand binding and receptor trafficking.
Biochim.Biophys.Acta, 1828, 2013
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5LGP
 | | Crystal structure of mouse CARM1 in complex with ligand P1C3s | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-propyl-oxolane-3,4-diol, 1,2-ETHANEDIOL, Histone-arginine methyltransferase CARM1, ... | | Authors: | Marechal, N, Troffer-Charlier, N, Cura, V, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2016-07-08 | | Release date: | 2017-03-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Transition state mimics are valuable mechanistic probes for structural studies with the arginine methyltransferase CARM1.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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