3WV1
| Crystal structure of the catalytic domain of MMP-13 complexed with 4-(2-((6-fluoro-2-((3-methoxybenzyl)carbamoyl)-4-oxo-3,4-dihydroquinazolin-5-yl)oxy)ethyl)benzoic acid | Descriptor: | 4-[2-({6-fluoro-2-[(3-methoxybenzyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-5-yl}oxy)ethyl]benzoic acid, CALCIUM ION, Collagenase 3, ... | Authors: | Oki, H, Tanaka, Y. | Deposit date: | 2014-05-12 | Release date: | 2015-05-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of novel, highly potent, and selective quinazoline-2-carboxamide-based matrix metalloproteinase (MMP)-13 inhibitors without a zinc binding group using a structure-based design approach J.Med.Chem., 57, 2014
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6UDA
| Cryo-EM structure of CH235UCA bound to Man5-enriched CH505.N279K.G458Y.SOSIP.664 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CH235 UCA heavy chain Fab, CH235 UCA light chain Fab, ... | Authors: | Henderson, R, Acharya, P. | Deposit date: | 2019-09-19 | Release date: | 2019-10-02 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Neutralization-guided design of HIV-1 envelope trimers with high affinity for the unmutated common ancester of CH235 lineage CD4bs broadly neutralizing antibodies. Plos Pathog., 15, 2019
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6L98
| Crystalline cast nephropathy-causing Bence-Jones protein AK: An entire immunoglobulin lambda light chain dimer | Descriptor: | Bence-Jones protein lambda light chain AK | Authors: | Nakagaki, T, Noguchi, K, Yohda, M, Odaka, M, Wakui, H, Matsumura, H. | Deposit date: | 2019-11-08 | Release date: | 2020-09-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Multiple Myeloma-Associated Ig Light Chain Crystalline Cast Nephropathy. Kidney Int Rep, 5, 2020
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6VG0
| CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC ISOCITRATE DEHYDROGENASE (IDH1) R132H MUTANT IN COMPLEX WITH NADPH and AGI-15056 | Descriptor: | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, N~2~,N~4~-bis[(1R)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine | Authors: | Padyana, A, Jin, L. | Deposit date: | 2020-01-07 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. Acs Med.Chem.Lett., 11, 2020
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5U2M
| Crystal structure of human NAMPT with A-1293201 | Descriptor: | N-[4-({[(3S)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION | Authors: | Longenecker, K.L, Raich, D, Korepanova, A.V. | Deposit date: | 2016-11-30 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors. Mol. Cancer Ther., 16, 2017
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2E5U
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5U2N
| Crystal structure of human NAMPT with A-1326133 | Descriptor: | N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION | Authors: | Longenecker, K.L, Raich, D, Korepanova, A.V. | Deposit date: | 2016-11-30 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors. Mol. Cancer Ther., 16, 2017
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2E5Y
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2E5T
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6VEI
| Crystal Structure of Human Cytosolic Isocitrate Dehydrogenase (IDH1) R132H Mutant in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | Authors: | Padyana, A, Jin, L. | Deposit date: | 2020-01-02 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. Acs Med.Chem.Lett., 11, 2020
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6VFZ
| Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor. | Descriptor: | 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, CALCIUM ION, Isocitrate dehydrogenase [NADP], ... | Authors: | Padyana, A, Jin, L. | Deposit date: | 2020-01-07 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. Acs Med.Chem.Lett., 11, 2020
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6N0Q
| BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide. | Descriptor: | N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-11-07 | Release date: | 2019-10-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic. J.Med.Chem., 63, 2020
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6N0P
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4ZM7
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5KX8
| Irak4-inhibitor co-structure | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-5-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide | Authors: | Fischmann, T.O. | Deposit date: | 2016-07-20 | Release date: | 2016-08-17 | Last modified: | 2016-08-24 | Method: | X-RAY DIFFRACTION (2.671 Å) | Cite: | Efforts towards the optimization of a bi-aryl class of potent IRAK4 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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3UIX
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6A78
| Crystal structure of the fifth immunoglobulin domain (Ig5) of human Robo1 in complex with the scFv fragment of murine monoclonal antibody B5209B | Descriptor: | Heavy chain and linker region of the anti-human Robo1 antibody B5209B scFv, Light chain region of the anti-human Robo1 antibody B5209B scFv, Roundabout homolog 1, ... | Authors: | Mizohata, E, Nakayama, T, Kado, Y, Inoue, T. | Deposit date: | 2018-07-02 | Release date: | 2019-01-30 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Affinity Improvement of a Cancer-Targeted Antibody through Alanine-Induced Adjustment of Antigen-Antibody Interface. Structure, 27, 2019
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1TKX
| CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW490745 | Descriptor: | 4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-3-ISOPROPYLQUINOLIN-2(1H)-ONE, Pol polyprotein, Reverse transcriptase, ... | Authors: | Ren, J, Hopkins, A.L, Stuart, D.I, Stammers, D.K. | Deposit date: | 2004-06-09 | Release date: | 2004-12-07 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 2. J.Med.Chem., 47, 2004
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5B1L
| The mouse nucleosome structure containing H3t | Descriptor: | CHLORIDE ION, DNA (146-MER), Histone H2A type 1, ... | Authors: | Urahama, T, Machida, S, Horikoshi, N, Osakabe, A, Tachiwana, H, Taguchi, H, Kurumizaka, H. | Deposit date: | 2015-12-08 | Release date: | 2017-02-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Testis-Specific Histone Variant H3t Gene Is Essential for Entry into Spermatogenesis Cell Rep, 18, 2017
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1UAS
| Crystal structure of rice alpha-galactosidase | Descriptor: | GLYCEROL, PLATINUM (II) ION, SULFATE ION, ... | Authors: | Fujimoto, Z, Kaneko, S, Momma, M, Kobayashi, H, Mizuno, H. | Deposit date: | 2003-03-18 | Release date: | 2003-07-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of rice alpha-galactosidase complexed with D-galactose J.Biol.Chem., 278, 2003
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7TJ5
| SthK closed state, cAMP-bound in the presence of POPA | Descriptor: | (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Putative transcriptional regulator, ... | Authors: | Schmidpeter, P.A, Nimigean, C.M. | Deposit date: | 2022-01-14 | Release date: | 2022-10-26 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.41 Å) | Cite: | Anionic lipids unlock the gates of select ion channels in the pacemaker family. Nat.Struct.Mol.Biol., 29, 2022
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7TKT
| SthK closed state, cAMP-bound in the presence of detergent | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Putative transcriptional regulator, ... | Authors: | Rheinberger, J, Schmidpeter, P.A, Nimigean, C.M. | Deposit date: | 2022-01-17 | Release date: | 2022-10-26 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Anionic lipids unlock the gates of select ion channels in the pacemaker family. Nat.Struct.Mol.Biol., 29, 2022
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7TJ6
| SthK open state, cAMP-bound in the presence of POPA | Descriptor: | (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Putative transcriptional regulator, ... | Authors: | Schmidpeter, P.A, Nimigean, C.M. | Deposit date: | 2022-01-14 | Release date: | 2022-10-26 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Anionic lipids unlock the gates of select ion channels in the pacemaker family. Nat.Struct.Mol.Biol., 29, 2022
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3TDC
| Crystal Structure of Human Acetyl-CoA carboxylase 2 | Descriptor: | 1-[3-({4-[(5S)-3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]piperidin-1-yl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea, Acetyl-CoA carboxylase 2 variant | Authors: | Dougan, D.R, Mol, C.D. | Deposit date: | 2011-08-10 | Release date: | 2011-10-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Design, synthesis, and structure-activity relationships of spirolactones bearing 2-ureidobenzothiophene as acetyl-CoA carboxylases inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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1TKT
| CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW426318 | Descriptor: | 6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-2(1H)-ONE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K. | Deposit date: | 2004-06-09 | Release date: | 2004-12-07 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1. J.Med.Chem., 47, 2004
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