5F9Q
| Crystal structure of the extracellular domain of noncanonic ABC-type transporter YknZ from Gram-positive bacteria | Descriptor: | Macrolide export ATP-binding/permease protein YknZ | Authors: | Xu, Y, Guo, J, Jiang, R, Jin, X, Fan, S, Quan, C.S, Ha, N.C. | Deposit date: | 2015-12-10 | Release date: | 2016-02-03 | Last modified: | 2016-09-14 | Method: | X-RAY DIFFRACTION (2.044 Å) | Cite: | The Crystal Structure of the YknZ Extracellular Domain of ABC Transporter YknWXYZ from Bacillus amyloliquefaciens. Plos One, 11, 2016
|
|
5I8X
| Bicyclic antimibrocial peptides | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, DLS-LYS-CYS-LYS-LEU-CYS-LYS-LYS-NH2, ... | Authors: | Di Bonaventura, I, Jin, X, Visini, R, Michaud, G, Robadey, M, Koehler, T, van Delden, C, Stocker, A, Darbre, T, Reymond, J.-L. | Deposit date: | 2016-02-19 | Release date: | 2017-08-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms. Chem Sci, 8, 2017
|
|
5I8M
| Bicyclic antimibrocial peptides | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, DLS-LYS-CYS-LYS-LEU-CYS-LEU-LYS-NH2, ... | Authors: | Di Bonaventura, I, Jin, X, Visini, R, Michaud, G, Robadey, M, Koehler, T, van Delden, C, Stocker, A, Darbre, T, Reymond, J.-L. | Deposit date: | 2016-02-19 | Release date: | 2017-08-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms. Chem Sci, 8, 2017
|
|
6N0J
| The complex of CCG-222740 bound to pirin | Descriptor: | (3S)-N-(4-chlorophenyl)-5,5-difluoro-1-[3-(furan-2-yl)benzene-1-carbonyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, FE (III) ION, ... | Authors: | Lisabeth, E.M, Jin, X, Neubig, R. | Deposit date: | 2018-11-07 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Identification of Pirin as a Molecular Target of the CCG-1423/CCG-203971 Series of Antifibrotic and Antimetastatic Compounds ACS Pharmacol Transl Sci, 2, 2019
|
|
6N0K
| The complex of CCG-257081 bound to pirin | Descriptor: | (3R)-N-(4-chlorophenyl)-5,5-difluoro-1-[3-fluoro-5-(pyridin-4-yl)benzene-1-carbonyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, FE (III) ION, ... | Authors: | Lisabeth, E.M, Jin, X, Neubig, R. | Deposit date: | 2018-11-07 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Identification of Pirin as a Molecular Target of the CCG-1423/CCG-203971 Series of Antifibrotic and Antimetastatic Compounds ACS Pharmacol Transl Sci, 2, 2019
|
|
8GYT
| Cryo-EM structure of human Pannexin-3 R36S/F40R variant in pre-open state. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Pannexin-3 | Authors: | Cong, Y, Jin, X, Kong, F, Wu, T, Yan, C. | Deposit date: | 2022-09-23 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.68 Å) | Cite: | Inner channel lipids regulated gating mechanism of human pannexins. To Be Published
|
|
8GYO
| Inner channel lipids regulated gating mechanism of human pannexins. | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Digitonin, ... | Authors: | Cong, Y, Jin, X, Kong, F, Yan, C. | Deposit date: | 2022-09-23 | Release date: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Inner channel lipids regulated gating mechanism of human pannexins. To Be Published
|
|
8GYP
| |
8GYQ
| |
8H0N
| Crystal structure of the human METTL1-WDR4 complex | Descriptor: | tRNA (guanine-N(7)-)-methyltransferase, tRNA (guanine-N(7)-)-methyltransferase non-catalytic subunit WDR4 | Authors: | Jin, X.H, Guan, Z.Y, Gong, Z, Zhang, D.L. | Deposit date: | 2022-09-30 | Release date: | 2023-07-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insight into how WDR4 promotes the tRNA N7-methylguanosine methyltransferase activity of METTL1. Cell Discov, 9, 2023
|
|
2HY3
| Crystal structure of the human tyrosine receptor phosphate gamma in complex with vanadate | Descriptor: | Receptor-type tyrosine-protein phosphatase gamma, VANADATE ION | Authors: | Jin, X, Min, T, Bera, A, Mu, H, Sauder, J.M, Freeman, J.C, Reyes, C, Smith, D, Wasserman, S.R, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-08-04 | Release date: | 2006-09-05 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural genomics of protein phosphatases. J.STRUCT.FUNCT.GENOM., 8, 2007
|
|
2I0O
| Crystal structure of Anopheles gambiae Ser/Thr phosphatase complexed with Zn2+ | Descriptor: | Ser/Thr phosphatase, ZINC ION | Authors: | Jin, X, Sauder, J.M, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-08-10 | Release date: | 2006-10-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural genomics of protein phosphatases. J.STRUCT.FUNCT.GENOM., 8, 2007
|
|
2IRM
| Crystal structure of mitogen-activated protein kinase kinase kinase 7 interacting protein 1 from Anopheles gambiae | Descriptor: | mitogen-activated protein kinase kinase kinase 7 interacting protein 1 | Authors: | Jin, X, Bonanno, J.B, Pelletier, L, Freeman, J.C, Wasserman, S, Sauder, J.M, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-10-15 | Release date: | 2006-11-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural genomics of protein phosphatases. J.STRUCT.FUNCT.GENOM., 8, 2007
|
|
4WAF
| Crystal Structure of a novel tetrahydropyrazolo[1,5-a]pyrazine in an engineered PI3K alpha | Descriptor: | N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Knapp, M.S, Elling, R.A. | Deposit date: | 2014-08-29 | Release date: | 2014-12-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors. Acs Med.Chem.Lett., 6, 2015
|
|
5JWH
| Apo structure | Descriptor: | 1,2-ETHANEDIOL, NS3 helicase | Authors: | Cao, X, Li, Y, Jin, T. | Deposit date: | 2016-05-12 | Release date: | 2016-11-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design. Nucleic Acids Res., 44, 2016
|
|
5K8L
| Crystal structure of ZIKV NS3 helicase in complex with GTP-gammar S | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ... | Authors: | Cao, X, Li, Y, Jin, T. | Deposit date: | 2016-05-30 | Release date: | 2016-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design. Nucleic Acids Res., 44, 2016
|
|
5K8U
| Crystal structure of ZIKV NS3 helicase in complex with ADP and Mn2+ | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Cao, X, Li, Y, Jin, T. | Deposit date: | 2016-05-31 | Release date: | 2016-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design. Nucleic Acids Res., 44, 2016
|
|
5K8I
| Crystal structure of ZIKV NS3 helicase in complex with ATP and Mn2+ | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, MANGANESE (II) ION, ... | Authors: | Cao, X, Li, Y, Jin, T. | Deposit date: | 2016-05-30 | Release date: | 2016-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.694 Å) | Cite: | Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design. Nucleic Acids Res., 44, 2016
|
|
5K8T
| Crystal structure of ZIKV NS3 helicase in complex with GTP-gammar S and an magnesium ion | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Cao, X, Li, Y, Jin, T. | Deposit date: | 2016-05-31 | Release date: | 2016-11-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.848 Å) | Cite: | Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design. Nucleic Acids Res., 44, 2016
|
|
9AYH
| Cryo-EM structure of human Cav3.2 with TTA-A2 | Descriptor: | 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(4-cyclopropylphenyl)-N-{(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl}acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Fan, X, Huang, J, Yan, N. | Deposit date: | 2024-03-07 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for human Ca v 3.2 inhibition by selective antagonists. Cell Res., 2024
|
|
9AYJ
| Cryo-EM structure of human Cav3.2 with TTA-P2 | Descriptor: | 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,5-dichloro-N-[(1-{[(4S)-2,2-dimethyloxan-4-yl]methyl}-4-fluoropiperidin-4-yl)methyl]benzamide, ... | Authors: | Fan, X, Huang, J, Yan, N. | Deposit date: | 2024-03-07 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis for human Ca v 3.2 inhibition by selective antagonists. Cell Res., 2024
|
|
9AYG
| Cryo-EM structure of apo state human Cav3.2 | Descriptor: | 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Fan, X, Huang, J, Yan, N. | Deposit date: | 2024-03-07 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for human Ca v 3.2 inhibition by selective antagonists. Cell Res., 2024
|
|
9AYL
| Cryo-EM structure of human Cav3.2 with ACT-709478 | Descriptor: | 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Fan, X, Huang, J, Yan, N. | Deposit date: | 2024-03-08 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis for human Ca v 3.2 inhibition by selective antagonists. Cell Res., 2024
|
|
9AYK
| Cryo-EM structure of human Cav3.2 with ML218 | Descriptor: | 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,5-dichloro-N-{[(1R,5S,6r)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl}benzamide, ... | Authors: | Fan, X, Huang, J, Yan, N. | Deposit date: | 2024-03-08 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for human Ca v 3.2 inhibition by selective antagonists. Cell Res., 2024
|
|
8XMN
| Voltage-gated sodium channel Nav1.7 variant M2 | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, N, Li, Z, Wu, Q, Huang, G. | Deposit date: | 2023-12-27 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Dissection of the structure-function relationship of Na v channels. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|