2GVF
 
 | | HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021 | | Descriptor: | (6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE, Polyprotein, ZINC ION, ... | | Authors: | Arasappan, A, Njoroge, F.G, Chen, K.X, Venkatraman, S, Parekh, T.N, Gu, H, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V, Girijavallabhan, V. | | Deposit date: | 2006-05-02 | | Release date: | 2007-01-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease.
Bioorg.Med.Chem.Lett., 16, 2006
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1BUD
 | | ACUTOLYSIN A FROM SNAKE VENOM OF AGKISTRODON ACUTUS AT PH 5.0 | | Descriptor: | CALCIUM ION, PROTEIN (ACUTOLYSIN A), ZINC ION | | Authors: | Gong, W, Zhu, X, Liu, S, Teng, M, Niu, L. | | Deposit date: | 1998-09-03 | | Release date: | 1999-09-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of acutolysin A, a three-disulfide hemorrhagic zinc metalloproteinase from the snake venom of Agkistrodon acutus.
J.Mol.Biol., 283, 1998
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4FRS
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7EWF
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7EWM
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8TL6
 | | Cryo-EM structure of DDB1deltaB-DDA1-DCAF5 | | Descriptor: | DDB1- and CUL4-associated factor 5, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1 | | Authors: | Yue, H, Hunkeler, M, Roy Burman, S.S, Fischer, E.S. | | Deposit date: | 2023-07-26 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (2.63 Å) | | Cite: | Targeting DCAF5 suppresses SMARCB1-mutant cancer by stabilizing SWI/SNF.
Nature, 628, 2024
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8UAB
 | | SARS-CoV-2 main protease (Mpro) complex with AC1115 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | | Authors: | DuPrez, K.T, Chao, A, Han, F.Q. | | Deposit date: | 2023-09-20 | | Release date: | 2024-02-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.781 Å) | | Cite: | Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19
Med, 5, 2024
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8UAC
 | | CATHEPSIN L IN COMPLEX WITH AC1115 | | Descriptor: | Cathepsin L, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | | Authors: | Chao, A, DuPrez, K.T, Han, F.Q. | | Deposit date: | 2023-09-20 | | Release date: | 2024-02-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19.
Med, 5, 2024
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7EIL
 | | BRD4-BD1 in complex with LT-909-110 | | Descriptor: | Bromodomain-containing protein 4, N-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]ethanamide | | Authors: | Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y. | | Deposit date: | 2021-03-31 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of 1-(5-(1H-benzo[d]imidazole-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one derivatives as novel and potent bromodomain and extra-terminal (BET) inhibitors with anticancer efficacy
Eur.J.Med.Chem., 227, 2022
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7EXC
 | | Crystal structure of T2R-TTL-1129A2 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Yang, J.H, Yan, W. | | Deposit date: | 2021-05-26 | | Release date: | 2022-06-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure-Based Design and Synthesis of N-Substituted 3-Amino-beta-Carboline Derivatives as Potent alpha beta-Tubulin Degradation Agents
J.Med.Chem., 65, 2022
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6JBX
 | | Crystal structure of Streptococcus pneumoniae FabT in complex with DNA | | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*GP*TP*TP*TP*GP*AP*CP*TP*GP*TP*CP*AP*AP*AP*TP*TP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*AP*AP*TP*TP*TP*GP*AP*CP*AP*GP*TP*CP*AP*AP*AP*CP*TP*AP*TP*T)-3'), Fatty acid biosynthesis transcriptional regulator, ... | | Authors: | Zuo, G, Chen, Z.P, Li, Q, Zhou, C.Z. | | Deposit date: | 2019-01-27 | | Release date: | 2019-07-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into repression of the Pneumococcal fatty acid synthesis pathway by repressor FabT and co-repressor acyl-ACP.
Febs Lett., 593, 2019
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5DTJ
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7VDM
 | | Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with substance P | | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Li, Y, Yang, F. | | Deposit date: | 2021-09-07 | | Release date: | 2021-12-01 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
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7VUZ
 | | Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with PAMP-12, state2 | | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Li, Y, Yang, F. | | Deposit date: | 2021-11-04 | | Release date: | 2021-12-01 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
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7VV4
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7VV5
 | | Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with C48/80, state1 | | Descriptor: | 2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{N}-methyl-ethanamine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Li, Y, Yang, F. | | Deposit date: | 2021-11-04 | | Release date: | 2021-12-01 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
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7VDL
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7VDH
 | | Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with C48/80, state2 | | Descriptor: | 2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{N}-methyl-ethanamine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Li, Y, Yang, F. | | Deposit date: | 2021-09-07 | | Release date: | 2021-12-01 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
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7VV0
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7VV6
 | | Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with C48/80 (local) | | Descriptor: | 2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-~{N}-methyl-ethanamine, CHOLESTEROL, Mas-related G-protein coupled receptor member X2 | | Authors: | Li, Y, Yang, F. | | Deposit date: | 2021-11-04 | | Release date: | 2021-12-01 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
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7VUY
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7VV3
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7DSM
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7DSJ
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7DSO
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