7FEE
 
 | | Crystal structure of the allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, ... | | Authors: | Wang, X, Zhao, C, Shao, Z. | | Deposit date: | 2021-07-19 | | Release date: | 2022-06-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1.
Nat.Chem.Biol., 18, 2022
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8JIL
 | | Cryo-EM structure of niacin bound ketone body receptor HCAR2-Gi signaling complex | | 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: | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | | Deposit date: | 2023-05-26 | | Release date: | 2023-09-06 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
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8JII
 | | Cryo-EM structure of compound 9n and niacin bound ketone body receptor HCAR2-Gi signaling complex | | Descriptor: | 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | | Deposit date: | 2023-05-26 | | Release date: | 2023-09-06 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
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8JHY
 | | Cryo-EM structure of compound 9n bound ketone body receptor HCAR2-Gi signaling complex | | Descriptor: | 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | | Deposit date: | 2023-05-25 | | Release date: | 2023-09-06 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
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8JIM
 | | Cryo-EM structure of MMF bound ketone body receptor HCAR2-Gi signaling complex | | Descriptor: | (2Z)-4-methoxy-4-oxobut-2-enoic acid, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | | Deposit date: | 2023-05-26 | | Release date: | 2023-09-06 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation.
Mol.Cell, 83, 2023
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8J2P
 | | Crystal structure of PML B-box2 | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Protein PML, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Zhou, C, Zang, N, Zhang, J. | | Deposit date: | 2023-04-15 | | Release date: | 2023-09-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural Basis of PML-RARA Oncoprotein Targeting by Arsenic Unravels a Cysteine Rheostat Controlling PML Body Assembly and Function.
Cancer Discov, 13, 2023
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8J25
 | | Crystal structure of PML B-box2 mutant | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Protein PML, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Zhou, C, Zang, N, Zhang, J. | | Deposit date: | 2023-04-14 | | Release date: | 2023-09-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis of PML-RARA Oncoprotein Targeting by Arsenic Unravels a Cysteine Rheostat Controlling PML Body Assembly and Function.
Cancer Discov, 13, 2023
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7Q0P
 | | Structure of the Candida albicans 80S ribosome in complex with anisomycin | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0, ... | | Authors: | Kolosova, O, Zgadzay, Y, Stetsenko, A, Jenner, L, Guskov, A, Yusupova, G, Yusupov, M. | | Deposit date: | 2021-10-15 | | Release date: | 2022-05-18 | | Last modified: | 2022-06-08 | | Method: | ELECTRON MICROSCOPY (2.77 Å) | | Cite: | E-site drug specificity of the human pathogen Candida albicans ribosome.
Sci Adv, 8, 2022
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7Q0F
 | | Structure of Candida albicans 80S ribosome in complex with phyllanthoside | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose, ... | | Authors: | Zgadzay, Y, Kolosova, O, Stetsenko, A, Jenner, L, Guskov, A, Yusupova, G, Yusupov, M. | | Deposit date: | 2021-10-14 | | Release date: | 2022-05-18 | | Last modified: | 2022-06-08 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | E-site drug specificity of the human pathogen Candida albicans ribosome.
Sci Adv, 8, 2022
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7Q08
 | | Structure of Candida albicans 80S ribosome in complex with cycloheximide | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | | Authors: | Zgadzay, Y, Kolosova, O, Stetsenko, A, Jenner, L, Guskov, A, Yusupova, G, Yusupov, M. | | Deposit date: | 2021-10-14 | | Release date: | 2022-05-25 | | Last modified: | 2022-06-08 | | Method: | ELECTRON MICROSCOPY (2.56 Å) | | Cite: | E-site drug specificity of the human pathogen Candida albicans ribosome.
Sci Adv, 8, 2022
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3NOD
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND PRODUCT ANALOGUE L-THIOCITRULLINE | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, L-THIOCITRULLINE, NITRIC OXIDE SYNTHASE, ... | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1998-03-06 | | Release date: | 1999-03-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of nitric oxide synthase oxygenase dimer with pterin and substrate.
Science, 279, 1998
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7Q0R
 | | Structure of the Candida albicans 80S ribosome in complex with blasticidin s | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0, ... | | Authors: | Kolosova, O, Zgadzay, Y, Stetsenko, A, Jenner, L, Guskov, A, Yusupova, G, Yusupov, M. | | Deposit date: | 2021-10-16 | | Release date: | 2022-05-25 | | Last modified: | 2022-06-08 | | Method: | ELECTRON MICROSCOPY (2.67 Å) | | Cite: | E-site drug specificity of the human pathogen Candida albicans ribosome.
Sci Adv, 8, 2022
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7S5H
 | | PCSK9(deltaCRD) in complex with cyclic peptide 35 | | Descriptor: | (2E)-but-2-ene-1,4-diol, Pro-peptide from Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9, ... | | Authors: | Orth, P. | | Deposit date: | 2021-09-10 | | Release date: | 2021-11-03 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.272 Å) | | Cite: | A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors.
J.Med.Chem., 64, 2021
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7S5G
 | | PCSK9 in complex with compound 19 | | Descriptor: | (2E)-but-2-ene-1,4-diol, GLYCEROL, Propeptide of Proprotein convertase subtilisin/kexin type 9, ... | | Authors: | Orth, P. | | Deposit date: | 2021-09-10 | | Release date: | 2021-11-03 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.041 Å) | | Cite: | A Series of Novel, Highly Potent, and Orally Bioavailable Next-Generation Tricyclic Peptide PCSK9 Inhibitors.
J.Med.Chem., 64, 2021
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2ORP
 | | Murine inducible nitric oxide synthase oxygenase domain (delta 114) 2-[4-(2-Imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-isobutyryl-piperazin-2-yl]-N-[2-(4-methoxy-phenyl)-ethyl]-acetamide complex | | Descriptor: | 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE, PROTOPORPHYRIN IX CONTAINING FE, nitric oxide synthase, ... | | Authors: | Adler, M, Whitlow, M. | | Deposit date: | 2007-02-04 | | Release date: | 2007-04-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
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2ORO
 | | Murine inducible nitric oxide synthase oxygenase domain (delta 114) (r)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-pyrrolidine-2-carboxylic acid (2-benzo[1,3]dioxol-5-yl-ethyl)-amide complex | | Descriptor: | N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE, PROTOPORPHYRIN IX CONTAINING FE, SULFITE ION, ... | | Authors: | Adler, M, Whitlow, M. | | Deposit date: | 2007-02-04 | | Release date: | 2007-04-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
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8IYX
 | | Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365 | | Descriptor: | 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,YL-365 | | Authors: | Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M. | | Deposit date: | 2023-04-06 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7Y99
 | | Crystal Structure Analysis of cp2 bound BCLxl | | Descriptor: | Bcl-2-like protein 1, CP2 peptide, N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide | | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | Deposit date: | 2022-06-24 | | Release date: | 2023-09-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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6LN1
 | | A natural inhibitor of DYRK1A for treatment of diabetes mellitus | | Descriptor: | 1,3,5,8-tetrakis(oxidanyl)xanthen-9-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | Li, H, Chen, L.X, Zheng, M.Z, Zhang, Q.Z, Zhang, C.L, Wu, C.R, Yang, K.Y, Song, Z.R, Wang, Q.Q, Li, C, Zhou, Y.R, Chen, J.C. | | Deposit date: | 2019-12-28 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.699 Å) | | Cite: | A natural DYRK1A inhibitor as a potential stimulator for beta-cell proliferation in diabetes.
Clin Transl Med, 11, 2021
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2ORR
 | | Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-pyrimidine Complex | | Descriptor: | 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE, Nitric oxide synthase, ... | | Authors: | Adler, M, Whitlow, M. | | Deposit date: | 2007-02-04 | | Release date: | 2007-04-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
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2ORT
 | | Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 1-Benzo[1,3]dioxol-5-ylmethyl-3S-(4-imidazol-1-yl-phenoxy)-piperidine Complex | | Descriptor: | (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE, Nitric oxide synthase, inducible, ... | | Authors: | Adler, M, Whitlow, M. | | Deposit date: | 2007-02-04 | | Release date: | 2007-04-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
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7YAA
 | | Crystal structure analysis of cp3 bound BCLxl | | Descriptor: | Bcl-2-like protein 1, GLYCEROL, N-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide, ... | | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | Deposit date: | 2022-06-27 | | Release date: | 2023-11-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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7Y8D
 | | Crystal structure of cp1 bound BCLxl | | Descriptor: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Bcl-2-like protein 1, cp1 peptide | | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | Deposit date: | 2022-06-23 | | Release date: | 2023-11-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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7YA5
 | | Crystal structure analysis of cp1 bound BCL2/G101V | | Descriptor: | (2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid, Apoptosis regulator Bcl-2, cp1 peptide | | Authors: | Li, F.W, Liu, C, Wu, C.L, Wu, D.L. | | Deposit date: | 2022-06-27 | | Release date: | 2023-11-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Cyclic peptides discriminate BCL-2 and its clinical mutants from BCL-X L by engaging a single-residue discrepancy.
Nat Commun, 15, 2024
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2ORS
 | | Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine Complex | | Descriptor: | 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE, Nitric oxide synthase, ... | | Authors: | Adler, M, Whitlow, M. | | Deposit date: | 2007-02-04 | | Release date: | 2007-04-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
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