8JPC
 
 | | cryo-EM structure of NTSR1-GRK2-Galpha(q) complexes 2 | | Descriptor: | 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, Beta-adrenergic receptor kinase 1, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | Deposit date: | 2023-06-11 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
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8JPF
 | | Focused refiment structure of NTSR1 in NTSR1-GRK2-Galpha(q) complexes | | Descriptor: | 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, NTS, Neurotensin receptor type 1 | | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | Deposit date: | 2023-06-11 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
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8JPB
 | | cryo-EM structure of NTSR1-GRK2-Galpha(q) complexes 1 | | Descriptor: | 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, Beta-adrenergic receptor kinase 1, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | Deposit date: | 2023-06-11 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
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8JPD
 | | Focused refinement structure of GRK2 in NTSR1-GRK2-Galpha(q) complexes | | Descriptor: | Beta-adrenergic receptor kinase 1, STAUROSPORINE | | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | Deposit date: | 2023-06-11 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
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8JPE
 | | Focused refinement structure of Galpha(q) in NTSR1-GRK2-Galpha(q) complexes | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(q) subunit alpha, MAGNESIUM ION, ... | | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | Deposit date: | 2023-06-11 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
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4EUH
 | | Crystal structure of Clostridium acetobutulicum trans-2-enoyl-CoA reductase apo form | | Descriptor: | Putative reductase CA_C0462, SODIUM ION | | Authors: | Hu, K, Zhao, M, Zhang, T, Yang, S, Ding, J. | | Deposit date: | 2012-04-25 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of trans-2-enoyl-CoA reductases from Clostridium acetobutylicum and Treponema denticola: insights into the substrate specificity and the catalytic mechanism
Biochem.J., 449, 2013
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4EUF
 | | Crystal structure of Clostridium acetobutulicum trans-2-enoyl-CoA reductase in complex with NAD | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative reductase CA_C0462, SODIUM ION | | Authors: | Hu, K, Zhao, M, Zhang, T, Yang, S, Ding, J. | | Deposit date: | 2012-04-25 | | Release date: | 2012-11-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of trans-2-enoyl-CoA reductases from Clostridium acetobutylicum and Treponema denticola: insights into the substrate specificity and the catalytic mechanism
Biochem.J., 449, 2013
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4FBG
 | | Crystal structure of Treponema denticola trans-2-enoyl-CoA reductase in complex with NAD | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative reductase TDE_0597 | | Authors: | Hu, K, Zhao, M, Zhang, T, Yang, S, Ding, J. | | Deposit date: | 2012-05-23 | | Release date: | 2012-11-28 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Structures of trans-2-enoyl-CoA reductases from Clostridium acetobutylicum and Treponema denticola: insights into the substrate specificity and the catalytic mechanism
Biochem.J., 449, 2013
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5HWY
 | | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 10 mM Na+ and zero Ca2+ | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ACETATE ION, PENTADECANE, ... | | Authors: | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | | Deposit date: | 2016-01-29 | | Release date: | 2016-05-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.098 Å) | | Cite: | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger
Nat.Struct.Mol.Biol., 23, 2016
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8GTD
 | | Cryo-EM model of the marine siphophage vB_DshS-R4C portal-adaptor complex | | Descriptor: | Head-to-tail joining protein, Portal protein | | Authors: | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | | Deposit date: | 2022-09-08 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
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8GTB
 | | Cryo-EM structure of the marine siphophage vB_DshS-R4C tail tube protein | | Descriptor: | Major tail protein | | Authors: | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | | Deposit date: | 2022-09-08 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
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8GTA
 | | Cryo-EM structure of the marine siphophage vB_Dshs-R4C capsid | | Descriptor: | Major capsid protein | | Authors: | Sun, H, Huang, Y, Zheng, Q, Li, S, Zhang, R, Xia, N. | | Deposit date: | 2022-09-07 | | Release date: | 2023-07-12 | | Last modified: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (3.63 Å) | | Cite: | Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
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8GTC
 | | Cryo-EM model of the marine siphophage vB_DshS-R4C baseplate-tail complex | | Descriptor: | Distal tail protein, Hub protein, Major tail protein, ... | | Authors: | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | | Deposit date: | 2022-09-08 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
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8GTF
 | | Cryo-EM model of the marine siphophage vB_DshS-R4C stopper-terminator complex | | Descriptor: | Head-to-tail joining protein, Major tail protein, Terminator protein | | Authors: | Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N. | | Deposit date: | 2022-09-08 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
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3HI4
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3HEA
 | | The L29P/L124I mutation of Pseudomonas fluorescens esterase | | Descriptor: | Arylesterase, ETHYL ACETATE, GLYCEROL, ... | | Authors: | Kazlauskas, R.J, Schrag, J.D, Cheeseman, J.D, Morley, K.L. | | Deposit date: | 2009-05-08 | | Release date: | 2010-03-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Switching catalysis from hydrolysis to perhydrolysis in Pseudomonas fluorescens esterase.
Biochemistry, 49, 2010
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7M7D
 | | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-8968 | | Descriptor: | (5S)-6,6-dimethyl-8-[(4S)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Leonard, P.G, Cross, J.B. | | Deposit date: | 2021-03-27 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
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7M63
 | | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-70099 | | Descriptor: | (2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide, Indoleamine 2,3-dioxygenase 1 | | Authors: | Leonard, P.G, Cross, J.B. | | Deposit date: | 2021-03-25 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
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5H7V
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8OUS
 | | CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 19 | | Descriptor: | (1S)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol, Mitogen-activated protein kinase kinase kinase 12 | | Authors: | Zebisch, M, McEwan, P.A, Barker, J.J, Cross, J.B. | | Deposit date: | 2023-04-24 | | Release date: | 2023-07-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
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8OUR
 | | CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 16 | | Descriptor: | 5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-yl-imidazol-4-yl]-3-(trifluoromethyloxy)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12 | | Authors: | Zebisch, M, McEwan, P.A, Barker, J.J, Cross, J.B. | | Deposit date: | 2023-04-24 | | Release date: | 2023-07-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
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8OUT
 | | CRYSTAL STRUCTURE OF DLK IN COMPLEX WITH COMPOUND 22 | | Descriptor: | (1R)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol, Mitogen-activated protein kinase kinase kinase 12 | | Authors: | Zebisch, M, Akkermans, O, Barker, J.J, Cross, J.B. | | Deposit date: | 2023-04-24 | | Release date: | 2023-07-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.935 Å) | | Cite: | Discovery of IACS-52825, a Potent and Selective DLK Inhibitor for Treatment of Chemotherapy-Induced Peripheral Neuropathy.
J.Med.Chem., 66, 2023
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5GS4
 | | Crystal structure of estrogen receptor alpha in complex with a stabilized peptide antagonist | | Descriptor: | ARG-IAS-ILE-LEU-DNP-ARG-LEU-LEU-GLN, ESTRADIOL, Estrogen receptor, ... | | Authors: | Xie, M, Wang, T, Li, Z.-G. | | Deposit date: | 2016-08-13 | | Release date: | 2017-08-30 | | Last modified: | 2018-07-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of Inhibition of ER alpha-Coactivator Interaction by High-Affinity N-Terminus Isoaspartic Acid Tethered Helical Peptides
J. Med. Chem., 60, 2017
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5GTR
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5UHG
 | | Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-AAP1 and Rifampin | | Descriptor: | DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Lin, W, Das, K, Feng, Y, Ebright, R.H. | | Deposit date: | 2017-01-11 | | Release date: | 2017-04-12 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (3.971 Å) | | Cite: | Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
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