6M4D
| Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2 | Descriptor: | DNA (125-MER), Histone H2A.V, Histone H2B type 2-E, ... | Authors: | Zhou, M, Dai, L.C, Li, C.M, Shi, L.X, Huang, Y, Guo, Z.Q. | Deposit date: | 2020-03-06 | Release date: | 2020-09-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structural basis of nucleosome dynamics modulation by histone variants H2A.B and H2A.Z.2.2. Embo J., 40, 2021
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2K3K
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5IXY
| Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 31: (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one | Descriptor: | (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Chen, Z, Eigenbrot, C. | Deposit date: | 2016-03-23 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice. Acs Med.Chem.Lett., 7, 2016
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5IXS
| Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 9: (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one | Descriptor: | (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one, 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Ultsch, M, Eigenbrot, C. | Deposit date: | 2016-03-23 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice. Acs Med.Chem.Lett., 7, 2016
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2Q2Z
| Crystal Structure of KSP in Complex with Inhibitor 22 | Descriptor: | 1-[(4R)-4-[3-(4-ACETYLPIPERAZIN-1-YL)PROPYL]-1-(2-FLUORO-5-METHYLPHENYL)-4-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-3-YL]ETHANONE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | Authors: | Yan, Y. | Deposit date: | 2007-05-29 | Release date: | 2007-09-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Kinesin spindle protein (KSP) inhibitors. Part 8: Design and synthesis of 1,4-diaryl-4,5-dihydropyrazoles as potent inhibitors of the mitotic kinesin KSP. Bioorg.Med.Chem.Lett., 17, 2007
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2Q2Y
| Crystal Structure of KSP in complex with Inhibitor 1 | Descriptor: | 1-{(3R,3AR)-3-[3-(4-ACETYLPIPERAZIN-1-YL)PROPYL]-8-FLUORO-3-PHENYL-3A,4-DIHYDRO-3H-PYRAZOLO[5,1-C][1,4]BENZOXAZIN-2-YL}ETHANONE, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | Authors: | Yan, Y. | Deposit date: | 2007-05-29 | Release date: | 2007-09-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Kinesin spindle protein (KSP) inhibitors. Part 8: Design and synthesis of 1,4-diaryl-4,5-dihydropyrazoles as potent inhibitors of the mitotic kinesin KSP. Bioorg.Med.Chem.Lett., 17, 2007
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3K6B
| X-ray crystal structure of the E2 domain of APL-1 from C. elegans, in complex with sucrose octasulfate (SOS) | Descriptor: | 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Beta-amyloid-like protein | Authors: | Hoopes, J.T, Ha, Y. | Deposit date: | 2009-10-08 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural characterization of the E2 domain of APL-1, a Caenorhabditis elegans homolog of human amyloid precursor protein, and its heparin binding site J.Biol.Chem., 285, 2010
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3K66
| X-ray crystal structure of the E2 domain of C. elegans APL-1 | Descriptor: | Beta-amyloid-like protein | Authors: | Hoopes, J.T, Ha, Y. | Deposit date: | 2009-10-08 | Release date: | 2009-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural characterization of the E2 domain of APL-1, a Caenorhabditis elegans homolog of human amyloid precursor protein, and its heparin binding site J.Biol.Chem., 285, 2010
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3K9X
| X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE | Descriptor: | CALCIUM ION, GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ... | Authors: | Klei, H.E, Kish, K, Ghosh, K, Rushith, A. | Deposit date: | 2009-10-16 | Release date: | 2009-12-15 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577 Bioorg.Med.Chem.Lett., 19, 2009
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3EFK
| Structure of c-Met with pyrimidone inhibitor 50 | Descriptor: | 5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor | Authors: | Bellon, S.F, D'Angelo, N, Whittington, D, Dussault, I. | Deposit date: | 2008-09-09 | Release date: | 2008-10-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design, synthesis, and biological evaluation of potent c-Met inhibitors. J.Med.Chem., 51, 2008
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3EFJ
| Structure of c-Met with pyrimidone inhibitor 7 | Descriptor: | 2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor | Authors: | D'Angelo, N, Bellon, S, Whittington, D. | Deposit date: | 2008-09-09 | Release date: | 2008-10-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design, synthesis, and biological evaluation of potent c-Met inhibitors. J.Med.Chem., 51, 2008
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7CE2
| The Crystal structure of TeNT Hc complexed with neutralizing antibody | Descriptor: | Tetanus toxin, neutralizing antibody heavy chain, neutralizing antibody light chain | Authors: | Wang, X, Wang, Y, Wu, C, Yu, J, Liao, H. | Deposit date: | 2020-06-21 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural basis of tetanus toxin neutralization by native human monoclonal antibodies. Cell Rep, 35, 2021
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5YFE
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3ML8
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8HDO
| Structure of A2BR bound to synthetic agonists BAY 60-6583 | Descriptor: | 2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide, Adenosine A2b receptor, CHOLESTEROL, ... | Authors: | Cai, H, Xu, Y, Xu, H.E, Jiang, Y. | Deposit date: | 2022-11-05 | Release date: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Structures of adenosine receptor A 2B R bound to endogenous and synthetic agonists. Cell Discov, 8, 2022
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8HDP
| Structure of A2BR bound to endogenous agonists adenosine | Descriptor: | ADENOSINE, Adenosine A2b receptor, CHOLESTEROL, ... | Authors: | Cai, H, Xu, Y, Xu, H.E, Jiang, Y. | Deposit date: | 2022-11-05 | Release date: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of adenosine receptor A 2B R bound to endogenous and synthetic agonists. Cell Discov, 8, 2022
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3ML9
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5ZTL
| Non-cryogenic structure of light-driven chloride pump having an NTQ motif | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Yun, J.H, Park, S.Y, Liu, H, Lee, W. | Deposit date: | 2018-05-04 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Non-cryogenic structure of a chloride pump provides crucial clues to temperature-dependent channel transport efficiency J. Biol. Chem., 294, 2019
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5ZTK
| Synchrotron structure of light-driven chloride pump having an NTQ motif | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Yun, J.H, Park, J.H, Park, S.Y, Lee, W. | Deposit date: | 2018-05-04 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Non-cryogenic structure of a chloride pump provides crucial clues to temperature-dependent channel transport efficiency J. Biol. Chem., 294, 2019
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3CJO
| Crystal structure of KSP in complex with inhibitor 30 | Descriptor: | (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | Authors: | Yan, Y. | Deposit date: | 2008-03-13 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Kinesin spindle protein (KSP) inhibitors. 9. Discovery of (2S)-4-(2,5-difluorophenyl)-n-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide (MK-0731) for the treatment of taxane-refractory cancer. J.Med.Chem., 51, 2008
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3FT0
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3FSW
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3FSZ
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3FSA
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3FS9
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