4NSD
 
 | | Crystal Structure of CBARA1 in the Ca2+ Binding Form | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wang, L, Yang, X, Li, S, Shen, Y. | | Deposit date: | 2013-11-28 | | Release date: | 2014-02-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and mechanistic insights into MICU1 regulation of mitochondrial calcium uptake.
Embo J., 33, 2014
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7C2M
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with NITD-349 | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Chimera of drug exporters of the RND superfamily-like protein and Endolysin, N-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1H-indole-2-carboxamide, ... | | Authors: | Zhang, B, Yang, X, Hu, T, Rao, Z. | | Deposit date: | 2020-05-08 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural Basis for the Inhibition of Mycobacterial MmpL3 by NITD-349 and SPIRO.
J.Mol.Biol., 432, 2020
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7C2N
 | | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SPIRO | | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine], Drug exporters of the RND superfamily-like protein,Endolysin, ... | | Authors: | Zhang, B, Yang, X, Hu, T, Rao, Z. | | Deposit date: | 2020-05-08 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Structural Basis for the Inhibition of Mycobacterial MmpL3 by NITD-349 and SPIRO.
J.Mol.Biol., 432, 2020
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6BJ8
 | | TCR55 in complex with Pep20/HLA-B35 | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Jude, K.M, Sibener, L.V, Yang, X, Garcia, K.C. | | Deposit date: | 2017-11-05 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Isolation of a Structural Mechanism for Uncoupling T Cell Receptor Signaling from Peptide-MHC Binding.
Cell, 174, 2018
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6EO6
 | | X-ray structure of the complex between human alpha-thrombin and modified 15-mer DNA aptamer containing 5-(3-(2-(1H-indol-3-yl)acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine residue | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GA63A - TBA MODIFIED APTAMER, ... | | Authors: | Dolot, R.M, Nawrot, B, Yang, X. | | Deposit date: | 2017-10-09 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystal structures of thrombin in complex with chemically modified thrombin DNA aptamers reveal the origins of enhanced affinity.
Nucleic Acids Res., 46, 2018
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6EO7
 | | X-ray structure of the complex between human alpha-thrombin and modified 15-mer DNA aptamer containing 5-(3-(acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine residue | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GA68B2 - MODIFIED HUMAN THROMBIN BINDING APTAMER, ... | | Authors: | Dolot, R.M, Nawrot, B, Yang, X. | | Deposit date: | 2017-10-09 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Crystal structures of thrombin in complex with chemically modified thrombin DNA aptamers reveal the origins of enhanced affinity.
Nucleic Acids Res., 46, 2018
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4HVC
 | | Crystal structure of human prolyl-tRNA synthetase in complex with halofuginone and ATP analogue | | Descriptor: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, Bifunctional glutamate/proline--tRNA ligase, MAGNESIUM ION, ... | | Authors: | Zhou, H, Sun, L, Yang, X.L, Schimmel, P. | | Deposit date: | 2012-11-06 | | Release date: | 2013-01-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | ATP-directed capture of bioactive herbal-based medicine on human tRNA synthetase.
Nature, 494, 2012
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4NSC
 | | Crystal Structure of CBARA1 in the Apo-form | | Descriptor: | Calcium uptake protein 1, mitochondrial | | Authors: | Wang, L, Yang, X, Li, S, Shen, Y. | | Deposit date: | 2013-11-28 | | Release date: | 2014-02-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural and mechanistic insights into MICU1 regulation of mitochondrial calcium uptake.
Embo J., 33, 2014
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4I16
 | | Crystal structure of CARMA1 CARD | | Descriptor: | Caspase recruitment domain-containing protein 11, SULFATE ION | | Authors: | Li, S, Yang, X, Shen, Y. | | Deposit date: | 2012-11-20 | | Release date: | 2012-12-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.751 Å) | | Cite: | Structural insights into the assembly of CARMA1 and BCL10
Plos One, 7, 2012
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4R3Q
 | | Crystal structure of SYCE3 | | Descriptor: | Synaptonemal complex central element protein 3 | | Authors: | Lu, J, Feng, J, Zhou, W, Yang, X, Shen, Y. | | Deposit date: | 2014-08-17 | | Release date: | 2014-11-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Structural insight into the central element assembly of the synaptonemal complex
Sci Rep, 4, 2014
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6A30
 | | Crystal Structure of Munc13-1 MUN Domain and Synaptobrevin-2 Juxtamembrane Linker Region | | Descriptor: | Protein unc-13 homolog A, Synaptobrevin-2 juxtamembrane linker peptide | | Authors: | Wang, S, Li, Y, Gong, J.H, Ye, S, Yang, X.F, Zhang, R.G, Ma, C. | | Deposit date: | 2018-06-14 | | Release date: | 2019-01-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.793 Å) | | Cite: | Munc18 and Munc13 serve as a functional template to orchestrate neuronal SNARE complex assembly.
Nat Commun, 10, 2019
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5X5Y
 | | A membrane protein complex | | Descriptor: | Probable ATP-binding component of ABC transporter, Uncharacterized protein | | Authors: | Luo, Q, Yang, X, Huang, Y. | | Deposit date: | 2017-02-18 | | Release date: | 2017-04-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.465 Å) | | Cite: | Structural basis for lipopolysaccharide extraction by ABC transporter LptB2FG
Nat. Struct. Mol. Biol., 24, 2017
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7WNX
 | | Cryo-EM structure of Mycobacterium smegmatis MmpL3 complexed with ST004 in lipid nanodiscs | | Descriptor: | N-[2-(2-adamantylamino)ethyl]-1-[2,4-bis(fluoranyl)phenyl]-5-(4-chlorophenyl)-4-methyl-pyrazole-3-carboxamide, Trehalose monomycolate exporter MmpL3 | | Authors: | Zhang, B, Hu, T, Yang, X, Liu, F, Rao, Z. | | Deposit date: | 2022-01-20 | | Release date: | 2022-08-03 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Structure-based design of anti-mycobacterial drug leads that target the mycolic acid transporter MmpL3.
Structure, 30, 2022
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7F3B
 | | cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor. | | Descriptor: | 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL | | Authors: | Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W. | | Deposit date: | 2021-06-16 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates.
Eur.J.Med.Chem., 228, 2022
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5Z9Y
 | | Crystal structure of Mycobacterium tuberculosis thiazole synthase (ThiG) complexed with DXP | | Descriptor: | 1-DEOXY-D-XYLULOSE-5-PHOSPHATE, Thiazole synthase | | Authors: | Zhang, J, Zhang, B, Zhao, Y, Yang, X, Huang, M, Cui, P, Zhang, W, Li, J, Zhang, Y. | | Deposit date: | 2018-02-05 | | Release date: | 2018-04-11 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Snapshots of catalysis: Structure of covalently bound substrate trapped in Mycobacterium tuberculosis thiazole synthase (ThiG).
Biochem. Biophys. Res. Commun., 497, 2018
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7Y7J
 | | SARS-CoV-2 S trimer in complex with 1F Fab | | Descriptor: | 1F VH, 1F VL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, S, Liu, F, Yang, X, Zhong, G. | | Deposit date: | 2022-06-22 | | Release date: | 2023-02-22 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | A core epitope targeting antibody of SARS-CoV-2.
Protein Cell, 14, 2023
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2GZV
 | | The cystal structure of the PDZ domain of human PICK1 | | Descriptor: | PRKCA-binding protein | | Authors: | Debreczeni, J.E, Elkins, J.M, Yang, X, Berridge, G, Bray, J, Colebrook, S, Smee, C, Savitsky, P, Gileadi, O, Turnbull, A, von Delft, F, Doyle, D.A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-05-12 | | Release date: | 2006-07-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
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2IWR
 | | Gtpase Like Domain Of Centaurin Gamma 1 (Human) | | Descriptor: | CENTAURIN GAMMA 1 | | Authors: | Elkins, J.M, Soundararajan, M, Yang, X, Papagrigoriou, E, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Doyle, D.A, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-07-03 | | Release date: | 2006-07-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Centaurin Gamma-1 Gtpase-Like Domain Functions as an Ntpase.
Biochem.J., 401, 2007
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7F6V
 | | Cryo-EM structure of the human TACAN channel in a closed state | | Descriptor: | CHOLESTEROL, Ion channel TACAN | | Authors: | Chen, X.Z, Wang, Y.J, Li, Y, Yang, X, Shen, Y.Q. | | Deposit date: | 2021-06-25 | | Release date: | 2022-02-16 | | Last modified: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (3.66 Å) | | Cite: | Cryo-EM structure of the human TACAN in a closed state.
Cell Rep, 38, 2022
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7Y7K
 | | SARS-CoV-2 RBD in complex with 1F Fab | | Descriptor: | 1F VH, 1F VL, Spike protein S1 | | Authors: | Zhao, S, Liu, F, Yang, X, Zhong, G. | | Deposit date: | 2022-06-22 | | Release date: | 2023-02-22 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | A core epitope targeting antibody of SARS-CoV-2.
Protein Cell, 14, 2023
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2GF0
 | | The crystal structure of the human DiRas1 GTPase in the inactive GDP bound state | | Descriptor: | GTP-binding protein Di-Ras1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Turnbull, A.P, Papagrigoriou, E, Yang, X, Schoch, G, Elkins, J, Gileadi, O, Salah, E, Bray, J, Wen-Hwa, L, Fedorov, O, Niesen, F.E, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-03-21 | | Release date: | 2006-04-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of the human DiRas1 GTPase in the inactive GDP bound state
To be Published
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5W6M
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2GJS
 | | The crystal structure of human RRAD in complex with GDP | | Descriptor: | GTP-binding protein RAD, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Turnbull, A.P, Yang, X, Soundararajan, M, Schoch, G, Debreczeni, J, Elkins, J.M, Gileadi, C, Berridge, G, Pantic, N, Burgess, N, Smee, C.E.A, Bray, J, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-03-31 | | Release date: | 2006-04-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of human RRAD in complex with GDP
To be Published
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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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5XBV
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