6K04
 
 | | Crystal structure of BRD2(BD2)with ligand BY27 bound | | Descriptor: | (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine, Bromodomain-containing protein 2 | | Authors: | Lu, T, Lu, W, Chen, D, Zhao, Y, Luo, C. | | Deposit date: | 2019-05-05 | | Release date: | 2019-09-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.251 Å) | | Cite: | Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.
Eur.J.Med.Chem., 182, 2019
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6IMG
 | | Solution Structure of Bicyclic Peptide pb-13 | | Descriptor: | (ACE)-GLY-CYS-PRO-CYS-ILE-TRP-PRO-GLU-LEU-CYS-PRO-TRP-ILE-ARG-SER-CYS-(NH2) | | Authors: | Yao, H, Lin, P, Zha, J, Zha, M, Zhao, Y, Wu, C. | | Deposit date: | 2018-10-22 | | Release date: | 2019-08-28 | | Method: | SOLUTION NMR | | Cite: | Ordered and Isomerically Stable Bicyclic Peptide Scaffolds Constrained through Cystine Bridges and Proline Turns.
Chembiochem, 20, 2019
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5XGJ
 | | Crystal structure of PI3K complex with an inhibitor | | Descriptor: | 3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)-5-[(phenylmethyl)amino]phenol, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | | Authors: | Song, K, Yang, X, Zhao, Y, Jian, Z. | | Deposit date: | 2017-04-13 | | Release date: | 2018-04-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Crystal structure of PI3K complex with an inhibitor
To Be Published
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5XGI
 | | Crystal structure of PI3K complex with an inhibitor | | Descriptor: | 3-azanyl-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol, GLYCEROL, HEXAETHYLENE GLYCOL, ... | | Authors: | Song, K, Yang, X, Zhao, Y, Jian, Z. | | Deposit date: | 2017-04-13 | | Release date: | 2018-04-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Crystal structure of PI3K complex with an inhibitor
To Be Published
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5Z1Q
 | | Crystal structures of the trimeric N-terminal domain of Ciliate Euplotes octocarinatus Centrin | | Descriptor: | CALCIUM ION, CHLORIDE ION, Centrin protein | | Authors: | Wang, W, Zhao, Y, Yang, B, Wang, H. | | Deposit date: | 2017-12-27 | | Release date: | 2018-04-25 | | Last modified: | 2018-06-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the trimeric N-terminal domain of ciliate Euplotes octocarinatus centrin binding with calcium ions
Protein Sci., 27, 2018
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5Z87
 | | Structural of a novel b-glucosidase EmGH1 at 2.3 angstrom from Erythrobacter marinus | | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BENZAMIDINE, ... | | Authors: | Li, J.X, Hu, X.J, Zhao, Y, Li, L. | | Deposit date: | 2018-01-31 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and biochemical analysis of a novel b-glucosidase EmGH1 from Erythrobacter marinus
To Be Published
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8HYA
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8HMB
 | | Cryo-EM structure of human high-voltage activated L-type calcium channel CaV1.2 in complex with benidipine (BEN) | | Descriptor: | (3R)-1-benzylpiperidin-3-yl methyl (2R,3R,4R,5R,6S)-2,6-dimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wei, Y, Yu, Z, Zhao, Y. | | Deposit date: | 2022-12-02 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural bases of inhibitory mechanism of Ca V 1.2 channel inhibitors.
Nat Commun, 15, 2024
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8HLP
 | | Cryo-EM structure of human high-voltage activated L-type calcium channel CaV1.2 (apo) | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Wei, Y, Yu, Z, Zhao, Y. | | Deposit date: | 2022-11-30 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural bases of inhibitory mechanism of Ca V 1.2 channel inhibitors.
Nat Commun, 15, 2024
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8HMA
 | | Cryo-EM structure of human high-voltage activated L-type calcium channel CaV1.2 in complex with tetrandrine (TET) | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6,6',7,12-tetramethoxy-2,2'-dimethyl-1beta-3,4-didehydroberbaman, ... | | Authors: | Wei, Y, Yu, Z, Zhao, Y. | | Deposit date: | 2022-12-02 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural bases of inhibitory mechanism of Ca V 1.2 channel inhibitors.
Nat Commun, 15, 2024
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8J74
 | | Human high-affinity choline transporter CHT1 in the HC-3-bound outward-facing open conformation, dimeric state | | Descriptor: | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium), CHOLESTEROL HEMISUCCINATE, HEXADECANE, ... | | Authors: | Gao, Y, Qiu, Y, Zhao, Y. | | Deposit date: | 2023-04-27 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Transport mechanism of presynaptic high-affinity choline uptake by CHT1.
Nat.Struct.Mol.Biol., 31, 2024
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8J75
 | | Human high-affinity choline transporter CHT1 in the HC-3-bound outward-facing open conformation, monomeric state | | Descriptor: | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium), High affinity choline transporter 1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Gao, Y, Qiu, Y, Zhao, Y. | | Deposit date: | 2023-04-27 | | Release date: | 2024-04-10 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Transport mechanism of presynaptic high-affinity choline uptake by CHT1.
Nat.Struct.Mol.Biol., 31, 2024
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8J76
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8J77
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8JP0
 | | structure of human sodium-calciumexchanger NCX1 | | Descriptor: | 2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline, Sodium/calcium exchanger 1 | | Authors: | Dong, Y, Zhao, Y. | | Deposit date: | 2023-06-09 | | Release date: | 2024-01-03 | | Last modified: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural insight into the allosteric inhibition of human sodium-calcium exchanger NCX1 by XIP and SEA0400.
Embo J., 43, 2024
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8HLG
 | | Crystal structure of MoaE | | Descriptor: | Molybdenum cofactor biosynthesis protein D/E, SULFATE ION | | Authors: | Cai, J, Zhao, Y. | | Deposit date: | 2022-11-30 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | MoaE Is Involved in Response to Oxidative Stress in Deinococcus radiodurans.
Int J Mol Sci, 24, 2023
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7XLQ
 | | Structure of human R-type voltage-gated CaV2.3-alpha2/delta1-beta1 channel complex in the ligand-free (apo) state | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Gao, Y, Qiu, Y, Wei, Y, Dong, Y, Zhang, X.C, Zhao, Y. | | Deposit date: | 2022-04-22 | | Release date: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Molecular insights into the gating mechanisms of voltage-gated calcium channel Ca V 2.3.
Nat Commun, 14, 2023
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7VFU
 | | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to ziconotide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Dong, Y, Gao, Y, Wang, Y, Zhao, Y. | | Deposit date: | 2021-09-13 | | Release date: | 2021-11-03 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Cell Rep, 37, 2021
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7VFV
 | | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to PD173212 | | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-(~{tert}-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-~{tert}-butylphenyl)methyl-methyl-amino]-4-methyl-pentanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Dong, Y, Gao, Y, Wang, Y, Zhao, Y. | | Deposit date: | 2021-09-13 | | Release date: | 2021-11-03 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Cell Rep, 37, 2021
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7VFW
 | | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to CaV2.2-blocker1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole, CALCIUM ION, ... | | Authors: | Dong, Y, Gao, Y, Wang, Y, Zhao, Y. | | Deposit date: | 2021-09-13 | | Release date: | 2021-11-03 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Cell Rep, 37, 2021
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7VFS
 | | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, apo state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Dong, Y, Gao, Y, Wang, Y, Zhao, Y. | | Deposit date: | 2021-09-13 | | Release date: | 2021-11-03 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Cell Rep, 37, 2021
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7WLD
 | | Cryo-EM structure of the human glycosylphosphatidylinositol transamidase complex at 2.53 Angstrom resolution | | Descriptor: | (4S,7R)-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-3,5,8-trioxa-4lambda~5~-phosphahexacosan-1-aminium, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, Y, Li, T, Luo, Y, Chao, Y, Jia, G, Zhou, Z, Su, Z, Qu, Q, Li, D. | | Deposit date: | 2022-01-13 | | Release date: | 2022-04-27 | | Last modified: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (2.53 Å) | | Cite: | Molecular insights into biogenesis of glycosylphosphatidylinositol anchor proteins.
Nat Commun, 13, 2022
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7X2U
 | | Structure of a human NHE3-CHP1 complex in the autoinhibited state | | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, Calcineurin B homologous protein 1, Sodium/hydrogen exchanger 3, ... | | Authors: | Dong, Y, Li, H, Gao, Y, Zhang, X.C, Zhao, Y. | | Deposit date: | 2022-02-26 | | Release date: | 2022-04-20 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure of a human NHE3-CHP1 complex in the autoinhibited state
Sci Adv, 2022
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7WLK
 | | CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with Otilonium Bromide(OB) | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-[diethyl(methyl)-$l^{4}-azanyl]ethyl 4-[(2-octoxyphenyl)carbonylamino]benzoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y. | | Deposit date: | 2022-01-13 | | Release date: | 2022-05-04 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
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7WLL
 | | CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with pimozide(PMZ) | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one, ... | | Authors: | He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y. | | Deposit date: | 2022-01-13 | | Release date: | 2022-05-04 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
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