7ACF
 
 | | CRYSTAL STRUCTURE OF CRYSTAL FORM 2 OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747 | | Descriptor: | (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Kessler, D. | | Deposit date: | 2020-09-10 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Reply to Tran et al.: Dimeric KRAS protein-protein interaction stabilizers.
Proc. Natl. Acad. Sci. U.S.A., 117, 2020
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5BPE
 | | Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor | | Descriptor: | (2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide, EV71 3Cpro | | Authors: | Luqing, S, Yin, Z. | | Deposit date: | 2015-05-28 | | Release date: | 2015-11-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Cyanohydrin as an Anchoring Group for Potent and Selective Inhibitors of Enterovirus 71 3C Protease
J.Med.Chem., 58, 2015
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5B5R
 | | Crystal structure of GSDMA3 | | Descriptor: | Gasdermin-A3 | | Authors: | Ding, J, Shao, F. | | Deposit date: | 2016-05-14 | | Release date: | 2016-06-15 | | Last modified: | 2017-09-27 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Pore-forming activity and structural autoinhibition of the gasdermin family.
Nature, 535, 2016
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4M0U
 | | crystal structure of human PRS1 Q133P mutant | | Descriptor: | Ribose-phosphate pyrophosphokinase 1, SULFATE ION | | Authors: | Chen, P, Teng, M, Li, X. | | Deposit date: | 2013-08-02 | | Release date: | 2015-02-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
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8YKY
 | | Structure of human class T GPCR TAS2R14-Ggustducin complex with agonist 28.1 | | Descriptor: | 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, G alpha gustducin protein, ... | | Authors: | Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J. | | Deposit date: | 2024-03-05 | | Release date: | 2024-07-10 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
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5GUF
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6GJ5
 | | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 15 | | Descriptor: | (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | | Deposit date: | 2018-05-16 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6GJ7
 | | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 22 | | Descriptor: | (3~{S})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | | Deposit date: | 2018-05-16 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6GJ6
 | | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 18 | | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A, Phan, J. | | Deposit date: | 2018-05-16 | | Release date: | 2019-07-31 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.761 Å) | | Cite: | Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6GJ8
 | | CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH BI 2852 | | Descriptor: | (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | | Authors: | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | | Deposit date: | 2018-05-16 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5JLJ
 | | Crystal Structure of KPT8602 in complex with CRM1-Ran-RanBP1 | | Descriptor: | (2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide, CHLORIDE ION, Exportin-1, ... | | Authors: | Fung, H.Y, Chook, Y.M. | | Deposit date: | 2016-04-27 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Next-generation XPO1 inhibitor shows improved efficacy and in vivo tolerability in hematological malignancies.
Leukemia, 30, 2016
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7L5E
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7BZF
 | | COVID-19 RNA-dependent RNA polymerase post-translocated catalytic complex | | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA (31-MER), ... | | Authors: | Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z. | | Deposit date: | 2020-04-27 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
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3M0K
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7BTF
 | | SARS-CoV-2 RNA-dependent RNA polymerase in complex with cofactors in reduced condition | | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ... | | Authors: | Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z. | | Deposit date: | 2020-04-01 | | Release date: | 2020-04-08 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structure of the RNA-dependent RNA polymerase from COVID-19 virus.
Science, 368, 2020
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3M0J
 | | Structure of oxaloacetate acetylhydrolase in complex with the inhibitor 3,3-difluorooxalacetate | | Descriptor: | 2,2-difluoro-3,3-dihydroxybutanedioic acid, CALCIUM ION, MANGANESE (II) ION, ... | | Authors: | Herzberg, O, Chen, C. | | Deposit date: | 2010-03-03 | | Release date: | 2010-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure of oxalacetate acetylhydrolase, a virulence factor of the chestnut blight fungus.
J.Biol.Chem., 285, 2010
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3LYE
 | | Crystal structure of oxaloacetate acetylhydrolase | | Descriptor: | CALCIUM ION, Oxaloacetate acetyl hydrolase | | Authors: | Herzberg, O, Chen, C. | | Deposit date: | 2010-02-26 | | Release date: | 2010-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure of oxalacetate acetylhydrolase, a virulence factor of the chestnut blight fungus.
J.Biol.Chem., 285, 2010
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5T8G
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8UH6
 | | Degrader-induced complex between PTPN2 and CRBN-DDB1 | | Descriptor: | (5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[(4-{1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}piperidine-1-carbonyl)amino]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid, DNA damage-binding protein 1, Protein cereblon, ... | | Authors: | Catalano, C, Bratkowski, M, Scapin, G, Hao, Q. | | Deposit date: | 2023-10-06 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Mechanistic insights into a heterobifunctional degrader-induced PTPN2/N1 complex.
Commun Chem, 7, 2024
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8U0H
 | | Crystal structure of PTPN2 with a PROTAC | | Descriptor: | (5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[2-(4-{3-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl}piperidin-1-yl)acetamido]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid, ACETATE ION, PTPN2, ... | | Authors: | Jain, R, Longenecker, K, Qiu, W. | | Deposit date: | 2023-08-29 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Mechanistic insights into a heterobifunctional degrader-induced PTPN2/N1 complex.
Commun Chem, 7, 2024
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8XQP
 | | Structure of human class T GPCR TAS2R14-Gustducin complex with Aristolochic acid A. | | Descriptor: | 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ... | | Authors: | Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J. | | Deposit date: | 2024-01-05 | | Release date: | 2024-07-10 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
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8XQN
 | | Structure of human class T GPCR TAS2R14-DNGi complex with Aristolochic acid A. | | Descriptor: | 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ... | | Authors: | Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J. | | Deposit date: | 2024-01-05 | | Release date: | 2024-07-10 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
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8XQL
 | | Structure of human class T GPCR TAS2R14-miniGs/gust complex with Aristolochic acid A. | | Descriptor: | 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ... | | Authors: | Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J. | | Deposit date: | 2024-01-05 | | Release date: | 2024-07-10 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
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8XQT
 | | Structure of human class T GPCR TAS2R14-Gi complex. | | Descriptor: | CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Hu, X.L, Pei, Y, Wu, L.J, Hua, T, Liu, Z.J. | | Deposit date: | 2024-01-05 | | Release date: | 2024-07-10 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
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8XQR
 | | Structure 2 of human class T GPCR TAS2R14-miniGs/gust complex with Flufenamic acid. | | Descriptor: | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J. | | Deposit date: | 2024-01-05 | | Release date: | 2024-07-10 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
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