3NUP
| CDK6 (monomeric) in complex with inhibitor | Descriptor: | 4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine, Cell division protein kinase 6 | Authors: | Chopra, R. | Deposit date: | 2010-07-07 | Release date: | 2010-12-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6. J.Med.Chem., 53, 2010
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3NUX
| CDK6 (monomeric) in complex with inhibitor | Descriptor: | 4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine, Cell division protein kinase 6 | Authors: | Chopra, R. | Deposit date: | 2010-07-07 | Release date: | 2010-12-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6. J.Med.Chem., 53, 2010
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6NQ8
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6NQ9
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6NQ7
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6P7M
| Cryo-EM structure of LbCas12a-crRNA: AcrVA4 (1:2 complex) | Descriptor: | Cas12a, MAGNESIUM ION, anti-CRISPR VA4, ... | Authors: | Knott, G.J, Liu, J.J, Doudna, J.A. | Deposit date: | 2019-06-06 | Release date: | 2019-08-21 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for AcrVA4 inhibition of specific CRISPR-Cas12a. Elife, 8, 2019
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6P7N
| Cryo-EM structure of LbCas12a-crRNA: AcrVA4 (2:2 complex) | Descriptor: | Cas12a, MAGNESIUM ION, anti-CRISPR VA4, ... | Authors: | Knott, G.J, Liu, J.J, Doudna, J.A. | Deposit date: | 2019-06-06 | Release date: | 2019-08-21 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Structural basis for AcrVA4 inhibition of specific CRISPR-Cas12a. Elife, 8, 2019
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6XLP
| Structure of the essential inner membrane lipopolysaccharide-PbgA complex | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-deoxy-3-O-[(1R,3R)-1,3-dihydroxytetradecyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose-(6-1)-[3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)]1,5-anhydro-2-deoxy-2-{[(1S,3R)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-O-phosphono-D-glucitol, ... | Authors: | Payandeh, J, Clairefeuille, T. | Deposit date: | 2020-06-29 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the essential inner membrane lipopolysaccharide-PbgA complex. Nature, 584, 2020
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5SUN
| IDH1 R132H in complex with IDH146 | Descriptor: | 1,2-ETHANEDIOL, 3-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-4-oxo-3,4-dihydrophthalazine-1-carboxamide, DIMETHYL SULFOXIDE, ... | Authors: | Xie, X, Kulathila, R. | Deposit date: | 2016-08-03 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.477 Å) | Cite: | Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity. Structure, 25, 2017
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7SLR
| HIV Reverse Transcriptase with compound Pyr01 | Descriptor: | 5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile, Reverse transcriptase/ribonuclease H | Authors: | Klein, D.J, Zebisch, M, Gu, M. | Deposit date: | 2021-10-24 | Release date: | 2022-11-23 | Last modified: | 2023-03-29 | Method: | X-RAY DIFFRACTION (2.179 Å) | Cite: | Potent targeted activator of cell kill molecules eliminate cells expressing HIV-1. Sci Transl Med, 15, 2023
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7SLS
| HIV Reverse Transcriptase with compound Pyr02 | Descriptor: | 5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile, Reverse transcriptase/ribonuclease H | Authors: | Klein, D.J, Zebisch, M, Gu, M. | Deposit date: | 2021-10-24 | Release date: | 2022-11-23 | Last modified: | 2023-03-29 | Method: | X-RAY DIFFRACTION (2.078 Å) | Cite: | Potent targeted activator of cell kill molecules eliminate cells expressing HIV-1. Sci Transl Med, 15, 2023
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4TN2
| NS5b in complex with lactam-thiophene carboxylic acids | Descriptor: | 3-[(2R)-2-cyclohexyl-5-oxopyrrolidin-1-yl]-5-phenylthiophene-2-carboxylic acid, Genome polyprotein | Authors: | Chopra, R. | Deposit date: | 2014-06-02 | Release date: | 2014-09-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4TLR
| NS5b in complex with lactam-thiophene carboxylic acids | Descriptor: | 3-{(2R,5R)-5-cyclohexyl-2-[(2R)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid, 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, NS5b | Authors: | Chopra, R. | Deposit date: | 2014-05-30 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4ZTJ
| Crystal Structure of the Prototype Foamy Virus Intasome with a 2-Pyridinone Aminal Inhibitor | Descriptor: | (1R,2S,5R)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-1-(hydroxymethyl)-2'-methyl-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ... | Authors: | Klein, D.J, Patel, S. | Deposit date: | 2015-05-14 | Release date: | 2015-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Discovery of 2-Pyridinone Aminals: A Prodrug Strategy to Advance a Second Generation of HIV-1 Integrase Strand Transfer Inhibitors. J.Med.Chem., 58, 2015
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4ZTF
| Crystal Structure of the Prototype Foamy Virus Intasome with a 2-Pyridinone Aminal Inhibitor | Descriptor: | (1R,2R,5S)-8'-(3-chloro-4-fluorobenzyl)-6'-hydroxy-2'-[(2S)-2-hydroxypropyl]-9',10'-dihydro-2'H-spiro[bicyclo[3.1.0]hexane-2,3'-imidazo[5,1-a][2,6]naphthyridine]-1',5',7'(8'H)-trione, 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), ... | Authors: | Klein, D.J, Patel, S. | Deposit date: | 2015-05-14 | Release date: | 2015-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of 2-Pyridinone Aminals: A Prodrug Strategy to Advance a Second Generation of HIV-1 Integrase Strand Transfer Inhibitors. J.Med.Chem., 58, 2015
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6DUK
| EGFR with an allosteric inhibitor | Descriptor: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Park, E, Eck, M.J. | Deposit date: | 2018-06-21 | Release date: | 2019-06-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Single and Dual Targeting of Mutant EGFR with an Allosteric Inhibitor. Cancer Discov, 9, 2019
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7Y50
| Class I diterpene synthase (CyS) from Streptomyces cattleya | Descriptor: | Putative glutamate dehydrogenase/leucine dehydrogenase | Authors: | Xing, B, Ma, M. | Deposit date: | 2022-06-16 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure Based Mutagenesis of Cattleyene Synthase Leads to the Generation of Rearranged Polycyclic Diterpenes. Angew.Chem.Int.Ed.Engl., 61, 2022
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7Y87
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7Y88
| class I diterpene synthase (CyS-GGPP-Mg2+) from Streptomyces cattleya | Descriptor: | GERANYLGERANYL DIPHOSPHATE, MAGNESIUM ION, Putative glutamate dehydrogenase/leucine dehydrogenase | Authors: | Xing, B, Ma, M. | Deposit date: | 2022-06-23 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal Structure Based Mutagenesis of Cattleyene Synthase Leads to the Generation of Rearranged Polycyclic Diterpenes. Angew.Chem.Int.Ed.Engl., 61, 2022
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1FT4
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1MI8
| 2.0 Angstrom crystal structure of a DnaB intein from Synechocystis sp. PCC 6803 | Descriptor: | DnaB intein | Authors: | Ding, Y, Chen, X, Ferrandon, S, Xu, M, Rao, Z. | Deposit date: | 2002-08-22 | Release date: | 2003-08-19 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of mini-intein reveals a conserved catalytic module involved in side chain cyclization of asparagine during protein splicing J.Biol.Chem., 278, 2003
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7SVM
| DPP8 IN COMPLEX WITH LIGAND ICeD-2 | Descriptor: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 8, trimethylamine oxide | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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7SVN
| DPP9 IN COMPLEX WITH LIGAND ICeD-1 | Descriptor: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 9 | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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7SVL
| DPP9 IN COMPLEX WITH LIGAND ICeD-2 | Descriptor: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 9 | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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7SVO
| DPP8 IN COMPLEX WITH LIGAND ICeD-1 | Descriptor: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 8, trimethylamine oxide | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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