5XYZ
| The structure of human BTK kinase domain in complex with a covalent inhibitor | Descriptor: | N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide, Tyrosine-protein kinase BTK | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Xie, Y.T, Li, L, Qi, X.B, Huang, N. | Deposit date: | 2017-07-11 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery. J. Med. Chem., 60, 2017
|
|
4FM4
| Wild Type Fe-type Nitrile Hydratase from Comamonas testosteroni Ni1 | Descriptor: | FE (III) ION, Nitrile hydratase alpha subunit, Nitrile hydratase beta subunit, ... | Authors: | Kuhn, M.L, Martinez, S, Gumataotao, N, Bornscheuer, U, Liu, D, Holz, R.C. | Deposit date: | 2012-06-15 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.384 Å) | Cite: | The Fe-type nitrile hydratase from Comamonas testosteroni Ni1 does not require an activator accessory protein for expression in Escherichia coli. Biochem.Biophys.Res.Commun., 424, 2012
|
|
5XYX
| The structure of p38 alpha in complex with a triazol inhibitor | Descriptor: | Mitogen-activated protein kinase 14, N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N. | Deposit date: | 2017-07-11 | Release date: | 2018-01-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery. J. Med. Chem., 60, 2017
|
|
5XYY
| The structure of p38 alpha in complex with a triazol inhibitor | Descriptor: | 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol, Mitogen-activated protein kinase 14 | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N. | Deposit date: | 2017-07-11 | Release date: | 2018-01-17 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery. J. Med. Chem., 60, 2017
|
|
6B6G
| Crystal Structure of GABA Aminotransferase bound to (S)-3-Amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic acid, an Potent Inactivatorfor the Treatment of Addiction | Descriptor: | (3R,4E)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]cyclopent-1-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ... | Authors: | Mascarenhas, R, Juncosa, J.I, Takaya, K, Le, L.V, Moschitto, M.J, Silverman, R.B, Liu, D. | Deposit date: | 2017-10-02 | Release date: | 2018-02-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design and Mechanism of (S)-3-Amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic Acid, a Highly Potent gamma-Aminobutyric Acid Aminotransferase Inactivator for the Treatment of Addiction. J. Am. Chem. Soc., 140, 2018
|
|
6BY7
| Folding DNA into a lipid-conjugated nano-barrel for controlled reconstitution of membrane proteins | Descriptor: | DNA (26-MER), DNA (27-MER), DNA (29-MER), ... | Authors: | Dong, Y, Chen, S, Zhang, S, Sodroski, J, Yang, Z, Liu, D, Mao, Y. | Deposit date: | 2017-12-20 | Release date: | 2018-02-28 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (7.5 Å) | Cite: | Folding DNA into a Lipid-Conjugated Nanobarrel for Controlled Reconstitution of Membrane Proteins. Angew. Chem. Int. Ed. Engl., 57, 2018
|
|
7WJU
| Cryo-EM structure of the AsCas12f1-sgRNAv1-dsDNA ternary complex | Descriptor: | Non-target strand, OrfB_Zn_ribbon domain-containing protein, Target strand, ... | Authors: | Wu, Z, Liu, D, Shen, H, Ji, Q. | Deposit date: | 2022-01-07 | Release date: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Structure-directed functional evolution of the miniature CRISPR-AsCas12f1 system To Be Published
|
|
6J8I
| Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (Y1755 up) | Descriptor: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | Deposit date: | 2019-01-19 | Release date: | 2019-02-27 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins. Science, 363, 2019
|
|
6J8G
| Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 up) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 9 subunit alpha, ... | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | Deposit date: | 2019-01-19 | Release date: | 2019-02-27 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins. Science, 363, 2019
|
|
6J8H
| Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 down) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 9 subunit alpha, ... | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | Deposit date: | 2019-01-19 | Release date: | 2019-02-27 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins. Science, 363, 2019
|
|
6J8J
| Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (Y1755 down) | Descriptor: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | Deposit date: | 2019-01-19 | Release date: | 2019-02-27 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins. Science, 363, 2019
|
|
7W9P
| Cryo-EM structure of human Nav1.7(E406K) in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (S6IV pi helix conformer) | Descriptor: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Yan, N, Huang, G, Liu, D, Wei, P, Shen, H. | Deposit date: | 2021-12-10 | Release date: | 2022-05-25 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV. Cell Rep, 39, 2022
|
|
7W9T
| Cryo-EM structure of human Nav1.7(E406K) in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (S6IV alpha helix conformer) | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Yan, N, Huang, G, Liu, D, Wei, P. | Deposit date: | 2021-12-10 | Release date: | 2022-05-25 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV. Cell Rep, 39, 2022
|
|
7W9M
| Cryo-EM structure of human Nav1.7(E406K) in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (S6IV pi helix conformer) | Descriptor: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, N, Huang, G, Liu, D, Wei, P, Shen, H. | Deposit date: | 2021-12-10 | Release date: | 2022-05-25 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV. Cell Rep, 39, 2022
|
|
1BNO
| NMR SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF DNA POLYMERASE BETA, MINIMIZED AVERAGE STRUCTURE | Descriptor: | DNA POLYMERASE BETA | Authors: | Liu, D.-J, Prasad, R, Wilson, S.H, Derose, E.F, Mullen, G.P. | Deposit date: | 1996-04-25 | Release date: | 1996-12-07 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Three-dimensional solution structure of the N-terminal domain of DNA polymerase beta and mapping of the ssDNA interaction interface. Biochemistry, 35, 1996
|
|
1BNP
| NMR SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF DNA POLYMERASE BETA, 55 STRUCTURES | Descriptor: | DNA POLYMERASE BETA | Authors: | Liu, D.-J, Prasad, R, Wilson, S.H, Derose, E.F, Mullen, G.P. | Deposit date: | 1996-04-25 | Release date: | 1996-12-07 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Three-dimensional solution structure of the N-terminal domain of DNA polymerase beta and mapping of the ssDNA interaction interface. Biochemistry, 35, 1996
|
|
1YYB
| |
7F29
| |
6JL7
| |
7FH1
| Structure of the human Meckelin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Meckelin, beta-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Gong, D.S. | Deposit date: | 2021-07-29 | Release date: | 2021-12-01 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | Structure of the human Meckel-Gruber protein Meckelin. Sci Adv, 7, 2021
|
|
7T2Z
| |
7T33
| |
4J51
| |
7VKI
| ESRP1 qRRM2 in complex with 12mer-RNA | Descriptor: | Epithelial splicing regulatory protein 1, RNA (12-mer) | Authors: | Wu, B.X, Patel, D.J. | Deposit date: | 2021-09-30 | Release date: | 2022-10-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | ESRP1 controls biogenesis and function of a large abundant multiexon circRNA. Nucleic Acids Res., 2023
|
|
6T7P
| human plasmakallikrein protease domain in complex with active site directed inhibitor | Descriptor: | (2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide, DIMETHYL SULFOXIDE, GLUTATHIONE, ... | Authors: | Renatus, M. | Deposit date: | 2019-10-22 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.416 Å) | Cite: | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
|
|