9BHS
 
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound | | Descriptor: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN LIGAND | | Authors: | kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-21 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound
To be published
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9BJM
 | | Crystal Structure of Inhibitor 5c in Complex with Prefusion RSV F Glycoprotein | | Descriptor: | 1'-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-1,3-benzimidazol-2-yl]methyl}-1-(methanesulfonyl)spiro[azetidine-3,3'-indol]-2'(1'H)-one, Prefusion RSV F (DS-CAV1),Envelope glycoprotein | | Authors: | Shaffer, P.L, Milligan, C, Abeywickrema, P. | | Deposit date: | 2024-04-25 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Spiro-Azetidine Oxindoles as Long-Acting Injectables for Pre-Exposure Prophylaxis against Respiratory Syncytial Virus Infections.
J.Med.Chem., 2024
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9BJU
 | | Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5 | | Descriptor: | 1,2-ETHANEDIOL, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ACETATE ION, ... | | Authors: | Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A. | | Deposit date: | 2024-04-25 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
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9BK2
 | | Crystal structure of Lactate dehydrogenase in complex with 4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (S-enantiomer, monoclinic P form) | | Descriptor: | (2S)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid, DIMETHYL SULFOXIDE, L-lactate dehydrogenase A chain, ... | | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Sharma, H, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2024-04-26 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthesis and biological characterization of an orally bioavailable lactate dehydrogenase-A inhibitor against pancreatic cancer.
Eur.J.Med.Chem., 275, 2024
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9BK3
 | | Crystal structure of Lactate dehydrogenase in complex with 4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (R-enantiomer, orthorhombic P form) | | Descriptor: | (2R)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid, CHLORIDE ION, L-lactate dehydrogenase A chain, ... | | Authors: | Lovell, S, Cooper, A, Battaile, K.P, Sharma, H. | | Deposit date: | 2024-04-26 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Synthesis and biological characterization of an orally bioavailable lactate dehydrogenase-A inhibitor against pancreatic cancer.
Eur.J.Med.Chem., 275, 2024
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9BKM
 | | DHODH in complex with Ligand 10 | | Descriptor: | (2M,6P)-2-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2024-04-29 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 2024
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9BKN
 | | DHODH in complex with Ligand 16 | | Descriptor: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2024-04-29 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 2024
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9BKO
 | | DHODH in complex with Ligand 26 | | Descriptor: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2024-04-29 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 2024
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9BLG
 | | Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with PF-07284892 | | Descriptor: | (1S)-1'-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]-1,2,4-triazin-3-yl}-1,3-dihydrospiro[indene-2,4'-piperidin]-1-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Bester, S.M, Wu, W.-I, Mou, T.-C. | | Deposit date: | 2024-04-30 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | SHP2 Inhibition Sensitizes Diverse Oncogene-Addicted Solid Tumors to Re-treatment with Targeted Therapy.
Cancer Discov, 13, 2023
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9BN8
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9BN9
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9BOL
 | | Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5 | | Descriptor: | (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A. | | Deposit date: | 2024-05-03 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
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9BRA
 | | Intact V-ATPase State 2 and synaptophysin complex in mouse brain isolated synaptic vesicles | | Descriptor: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, Synaptophysin, ... | | Authors: | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | | Deposit date: | 2024-05-11 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 2024
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9BRB
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9BRC
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9BRD
 | | Synaptic Vesicle V-ATPase with synaptophysin and SidK, State 3 | | Descriptor: | (7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Coupland, C.E, Rubinstein, J.L. | | Deposit date: | 2024-05-11 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | High-resolution electron cryomicroscopy of V-ATPase in native synaptic vesicles.
Science, 2024
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9BRQ
 | | Intact V-ATPase State 3 and synaptophysin complex in mouse brain isolated synaptic vesicles | | Descriptor: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, Synaptophysin, ... | | Authors: | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | | Deposit date: | 2024-05-11 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 2024
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9BRR
 | | Intact V-ATPase State 3 in synaptophysin knock-out isolated synaptic vesicles | | Descriptor: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, V-type proton ATPase 116 kDa subunit a 1, ... | | Authors: | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | | Deposit date: | 2024-05-11 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 2024
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9BRS
 | | Intact V-ATPase State 2 in synaptophysin knock-out isolated synaptic vesicles | | Descriptor: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, V-type proton ATPase 116 kDa subunit a 1, ... | | Authors: | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | | Deposit date: | 2024-05-11 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 2024
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9BRT
 | | Intact V-ATPase State 1 and synaptophysin complex in mouse brain isolated synaptic vesicles | | Descriptor: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, Synaptophysin, ... | | Authors: | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | | Deposit date: | 2024-05-11 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 2024
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9BRU
 | | Intact V-ATPase State 1 in synaptophysin knock-out isolated synaptic vesicles | | Descriptor: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, V-type proton ATPase 116 kDa subunit a 1, ... | | Authors: | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | | Deposit date: | 2024-05-11 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Nature, 2024
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9BU1
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9C0Y
 | | Clathrin terminal domain complexed with Pitstop 2c | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Clathrin heavy chain 1, ... | | Authors: | Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V. | | Deposit date: | 2024-05-28 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function
To Be Published
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9C0Z
 | | Clathrin terminal domain complexed with pitstop 2d | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | Authors: | Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V. | | Deposit date: | 2024-05-28 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function
To Be Published
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9C4I
 | | Centrolobium microchaete seed lectin (CML) complexed with Man1-3Man-OMe | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Nascimento, K.S, Pinto-Junior, V.R, Lima, F.E.O, Osterne, V.J.S, Oliveira, M.V, Ferreira, V.M.S, Cavada, B.S. | | Deposit date: | 2024-06-04 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Centrolobium microchaete seed lectin (CML) complexed with Man1-3Man-OMe
To Be Published
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