7XHF
 
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7PAD
 | | The crystal structure of DW-0254 in complex with PDE6D | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, NICKEL (II) ION, ... | | Authors: | Beaumont, E, Williams, D. | | Deposit date: | 2021-07-29 | | Release date: | 2022-06-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
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7PAC
 | | The crystal structure of PDE6D in the apo state | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | | Authors: | Beaumont, E, Williams, D. | | Deposit date: | 2021-07-29 | | Release date: | 2022-06-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
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7PAE
 | | The crystal structure of Deltarasin in complex with PDE6D | | Descriptor: | ACETIC ACID, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, deltarasin | | Authors: | Beaumont, E, Williams, D. | | Deposit date: | 2021-07-29 | | Release date: | 2022-06-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects.
Blood Cancer J, 12, 2022
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7XHG
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8WCW
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8WCX
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6X1C
 | | Tubulin-RB3_SLD-TTL in complex with compound 5j | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2020-05-18 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
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6X1F
 | | Tubulin-RB3_SLD-TTL in complex with compound 5m | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2020-05-18 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
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6X1E
 | | Tubulin-RB3_SLD-TTL in complex with compound 5l | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2020-05-18 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
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5YP6
 | | RORgamma (263-509) complexed with SRC2 and Compound 6 | | Descriptor: | N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, SRC2 | | Authors: | Gao, M, Cai, W. | | Deposit date: | 2017-11-01 | | Release date: | 2018-02-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
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5YP5
 | | Crystal structure of RORgamma complexed with SRC2 and compound 5d | | Descriptor: | 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide, Nuclear receptor ROR-gamma, SRC2-2 peptide | | Authors: | Gao, M, Cai, W, Chunwa, C. | | Deposit date: | 2017-11-01 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
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8FPQ
 | | PCSK9 in complex with an inhibitor | | Descriptor: | CALCIUM ION, MCR-PHE-VAL-PRO-THR-THR-BIF-MAA-BIF-MAA-GLU-ALA-PRO-ALA-NEH inhibitor, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Xu, M, Chopra, R. | | Deposit date: | 2023-01-05 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.503 Å) | | Cite: | Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
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8FPO
 | | PCSK9 in complex with an inhibitor | | Descriptor: | CALCIUM ION, MCR-ALA-7T2-GLY-004-7T2-SER-7T2-0NC inhibitor, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Xu, M, Chopra, R. | | Deposit date: | 2023-01-05 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.997 Å) | | Cite: | Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
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7FEW
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7FF0
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7FF8
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7FF9
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7FIA
 | | Structure of AcrIF23 | | Descriptor: | AcrIF23 | | Authors: | Ren, J, Yue, F. | | Deposit date: | 2021-07-30 | | Release date: | 2022-07-27 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structural and mechanistic insights into the inhibition of type I-F CRISPR-Cas system by anti-CRISPR protein AcrIF23.
J.Biol.Chem., 298, 2022
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7F61
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8FVO
 | | PCSK9 in complex with an inhibitor | | Descriptor: | CALCIUM ION, MCR-ALA-7T2-GLY-004-7T2-SER-7T2-ALA-GLY-NH2 inhibitor, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Xu, M, Chopra, R. | | Deposit date: | 2023-01-19 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.652 Å) | | Cite: | Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
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8FVP
 | | PCSK9 in complex with an inhibitor | | Descriptor: | CALCIUM ION, PPI-YD5-NLE-7T2-SER-7T2-DPP-GLY-NH2 inhibitor, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Xu, M, Chopra, R. | | Deposit date: | 2023-01-19 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
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8FVQ
 | | PCSK9 in complex with an inhibitor | | Descriptor: | ACE-PHE-VAL-DAB-THR-THR-PHE-MAA-BIF-YBR inhibitor, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Xu, M, Chopra, R. | | Deposit date: | 2023-01-19 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
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8FVL
 | | PCSK9 in complex with an inhibitor | | Descriptor: | Proprotein convertase subtilisin/kexin type 9, YBX-YC3-VAL-PRO-THR-THR-PHE-MAA-CYS-MN1 inhibitor | | Authors: | Xu, M, Chopra, R. | | Deposit date: | 2023-01-19 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (1.961 Å) | | Cite: | Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
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8FVM
 | | PCSK9 in complex with an inhibitor | | Descriptor: | CALCIUM ION, DGN-DVA-YC3-GLU-PRO-THR-THR-PHE-MAA-A1BC0 inhibitor, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Xu, M, Chopra, R. | | Deposit date: | 2023-01-19 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.852 Å) | | Cite: | Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
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