6DAK
 
 | | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | | Descriptor: | DIMETHYL SULFOXIDE, N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide, WD repeat-containing protein 5 | | Authors: | Phan, J, Fesik, S.W. | | Deposit date: | 2018-05-01 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
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8WRZ
 | | Cry-EM structure of cannabinoid receptor-beta-arrestin-1 complex | | Descriptor: | (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, Beta-arrestin-1, Soluble cytochrome b562,Cannabinoid receptor 1, ... | | Authors: | Wang, Y.X, Wang, T, Wu, L.J, Hua, T, Liu, Z.J. | | Deposit date: | 2023-10-16 | | Release date: | 2024-02-28 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structure of cannabinoid receptor CB1-beta-arrestin complex.
Protein Cell, 15, 2024
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4QSG
 | | Crystal structure of gas vesicle protein GvpF from Microcystis aeruginosa | | Descriptor: | Gas vesicle protein | | Authors: | Xu, B.Y, Dai, Y.N, Zhou, K, Ren, Y.M, Liu, Y.T, Chen, Y, Zhou, C.Z. | | Deposit date: | 2014-07-03 | | Release date: | 2014-11-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of the gas vesicle protein GvpF from the cyanobacterium Microcystis aeruginosa.
Acta Crystallogr.,Sect.D, 70, 2014
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8AFC
 | | CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 12 | | Descriptor: | 2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Boettcher, J, Kessler, D. | | Deposit date: | 2022-07-16 | | Release date: | 2022-11-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
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8AFB
 | | CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 23 (BI-0474) | | Descriptor: | (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Boettcher, J, Kessler, D. | | Deposit date: | 2022-07-16 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
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8AFD
 | | CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a | | Descriptor: | (4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, 1H-benzimidazol-2-ylmethanethiol, GTPase KRas, ... | | Authors: | Boettcher, J, Kessler, D. | | Deposit date: | 2022-07-16 | | Release date: | 2022-11-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.633 Å) | | Cite: | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
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7C2K
 | | COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex | | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA (29-MER), ... | | Authors: | Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z. | | Deposit date: | 2020-05-07 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
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6KPC
 | | Crystal structure of an agonist bound GPCR | | Descriptor: | 7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]- 7-methyloctanenitrile, Cannabinoid receptor 2,Endolysin | | Authors: | Li, X.T, Hua, T, Wu, L.J, Makriyannis, A, Wu, M, Liu, Z.J. | | Deposit date: | 2019-08-15 | | Release date: | 2020-02-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-GiComplex Structures.
Cell, 180, 2020
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6KPF
 | | Cryo-EM structure of a class A GPCR with G protein complex | | Descriptor: | 7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]- 7-methyloctanenitrile, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Li, X.T, Hua, T, Wu, L.J, Makriyannis, A, Shen, L, Wang, Y.X, Liu, Z.J. | | Deposit date: | 2019-08-15 | | Release date: | 2020-02-12 | | Last modified: | 2022-04-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-GiComplex Structures.
Cell, 180, 2020
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6KPG
 | | Cryo-EM structure of CB1-G protein complex | | Descriptor: | (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Hua, T, Li, X.T, Wu, L.J, Makriyannis, A, Wang, Y.X, Shen, L, Liu, Z.J. | | Deposit date: | 2019-08-15 | | Release date: | 2020-02-12 | | Last modified: | 2020-03-11 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-GiComplex Structures.
Cell, 180, 2020
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6L6Z
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6LFO
 | | Cryo-EM structure of a class A GPCR monomer | | Descriptor: | C-X-C chemokine receptor type 2, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Liu, Z.J, Hua, T, Liu, K.W, Wu, L.J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-09-02 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis of CXC chemokine receptor 2 activation and signalling.
Nature, 585, 2020
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6LFM
 | | Cryo-EM structure of a class A GPCR | | Descriptor: | C-X-C chemokine receptor type 2, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Liu, Z.J, Hua, T, Liu, K.W, Wu, L.J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-09-02 | | Last modified: | 2020-09-16 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural basis of CXC chemokine receptor 2 activation and signalling.
Nature, 585, 2020
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6LFL
 | | Crystal structure of a class A GPCR | | Descriptor: | 4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide, C-X-C chemokine receptor type 2,GlgA glycogen synthase,C-X-C chemokine receptor type 2 | | Authors: | Liu, Z.J, Hua, T, Liu, K.W, Wu, L.J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis of CXC chemokine receptor 2 activation and signalling.
Nature, 585, 2020
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7WHS
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7WHR
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7WHT
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7U8H
 | | Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit | | Descriptor: | 1H-benzimidazol-2-ylmethanethiol, 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, GTPase KRas, ... | | Authors: | Phan, J, Fesik, S.W. | | Deposit date: | 2022-03-08 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.702 Å) | | Cite: | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
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5H8U
 | | Crystal structure of mycobacterium tuberculosis wild-type malate synthase in complex with product malate | | Descriptor: | (2S)-2-hydroxybutanedioic acid, GLYOXYLIC ACID, MAGNESIUM ION, ... | | Authors: | Krieger, I.V, Huang, H.-L, Sacchettini, J.C. | | Deposit date: | 2015-12-23 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
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5H8P
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5H8M
 | | Crystal structure of Mycobacterium tuberculosis malate synthase C619A, G459A mutant in complex with product malate | | Descriptor: | (2S)-2-hydroxybutanedioic acid, MAGNESIUM ION, Malate synthase G | | Authors: | Krieger, I.V, Huang, H.-L, Sacchettini, J.C. | | Deposit date: | 2015-12-23 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
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5C7V
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5CAH
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5CC5
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5C9X
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