6KUA
 
 | | Crystal structure of the nicotinamidase SaPncA from Staphylococcus aureus | | Descriptor: | Cysteine hydrolase, ZINC ION | | Authors: | Shang, F, Lan, J, Liu, W, Xu, Y, Chen, Y. | | Deposit date: | 2019-08-31 | | Release date: | 2019-10-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.104 Å) | | Cite: | Crystal structure of the nicotinamidase SaPncA from Staphylococcus aureus
To Be Published
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6L3E
 | | Crystal structure of Salmonella enterica sugar-binding protein MalE | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | Authors: | Wang, L, Chen, Y, Liu, W, Lan, J, Shang, F, Xu, Y. | | Deposit date: | 2019-10-10 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structure of Salmonella enterica sugar-binding protein MalE
To Be Published
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6DD1
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6D7I
 | | CTX-M-14 Apoenzyme D233N Point Mutant | | Descriptor: | Beta-lactamase | | Authors: | Kemp, M, Nichols, D, Chen, Y. | | Deposit date: | 2018-04-24 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | The Role of Asp-Asp Short Hydrogen Bond in Maintaining Active Site Integrity of CTX-M Beta-Lactamase
To be Published
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6DD0
 | | Crystal structure of VIM-2 complexed with compound 8 | | Descriptor: | ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ... | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2018-05-08 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6D7H
 | | CTX-M-14 Apoenzyme | | Descriptor: | Beta-lactamase, PHOSPHATE ION, POTASSIUM ION | | Authors: | Kemp, M, Nichols, D, Chen, Y. | | Deposit date: | 2018-04-24 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | The Role of Asp-Asp Short Hydrogen Bond in Maintaining Active Site Integrity of CTX-M Beta-Lactamase
To be Published
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6L6L
 | | Structural basis of NR4A2 homodimers binding to selective Nur-responsive elements | | Descriptor: | DNA (5'-D(*AP*AP*AP*GP*GP*TP*CP*AP*AP*AP*CP*TP*GP*TP*GP*AP*CP*CP*TP*AP*T)-3'), DNA (5'-D(P*TP*AP*TP*AP*GP*GP*TP*CP*AP*CP*AP*GP*TP*TP*TP*GP*AP*CP*CP*TP*T)-3'), Nuclear receptor related 1, ... | | Authors: | Jiang, L, Chen, Y. | | Deposit date: | 2019-10-29 | | Release date: | 2019-11-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.781 Å) | | Cite: | Structural basis of binding of homodimers of the nuclear receptor NR4A2 to selective Nur-responsive DNA elements.
J.Biol.Chem., 294, 2019
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7XT6
 | | Structure of a membrane protein M3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, B-cell antigen receptor complex-associated protein alpha chain, ... | | Authors: | Ma, X, Zhu, Y, Chen, Y, Huang, Z. | | Deposit date: | 2022-05-16 | | Release date: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (3.63 Å) | | Cite: | Cryo-EM structures of two human B cell receptor isotypes.
Science, 377, 2022
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6KMJ
 | | Crystal structure of Sth1 bromodomain in complex with H3K14Ac | | Descriptor: | GLYCEROL, Histone H3, Nuclear protein STH1/NPS1 | | Authors: | Chen, G, Li, W, Yan, F, Wang, D, Chen, Y. | | Deposit date: | 2019-07-31 | | Release date: | 2019-11-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Structural Basis for Specific Recognition of H3K14 Acetylation by Sth1 in the RSC Chromatin Remodeling Complex.
Structure, 28, 2020
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6KMB
 | | Crystal structure of Sth1 bromodomain | | Descriptor: | GLYCEROL, Nuclear protein STH1/NPS1 | | Authors: | Chen, G, Li, W, Yan, F, Wang, D, Chen, Y. | | Deposit date: | 2019-07-31 | | Release date: | 2019-10-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Structural Basis for Specific Recognition of H3K14 Acetylation by Sth1 in the RSC Chromatin Remodeling Complex.
Structure, 28, 2020
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7XJW
 | | Crystal structure of canine coronavirus main protease in complex with GC376 | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, ORF1a polyprotein | | Authors: | Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chiu, Y.F, Chen, Y. | | Deposit date: | 2022-04-18 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | A Structural Comparison of SARS-CoV-2 Main Protease and Animal Coronaviral Main Protease Reveals Species-Specific Ligand Binding and Dimerization Mechanism.
Int J Mol Sci, 23, 2022
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6KKM
 | | Crystal structure of RbcL-Raf1 complex from Anabaena sp. PCC 7120 | | Descriptor: | All5250 protein, Ribulose bisphosphate carboxylase large chain | | Authors: | Xia, L.Y, Jiang, Y.L, Kong, W.W, Chen, Y, Zhou, C.Z. | | Deposit date: | 2019-07-26 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Molecular basis for the assembly of RuBisCO assisted by the chaperone Raf1.
Nat.Plants, 6, 2020
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7YIB
 | | Crystal structure of wild-type Cap4 SAVED domain-containing receptor from Enterobacter cloacae | | Descriptor: | CD-NTase-associated protein 4, CHLORIDE ION | | Authors: | Ko, T.-P, Yang, C.-S, Hou, M.-H, Wang, Y.-C, Chen, Y. | | Deposit date: | 2022-07-15 | | Release date: | 2023-05-31 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Specific recognition of cyclic oligonucleotides by Cap4 for phage infection.
Int.J.Biol.Macromol., 237, 2023
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7YIA
 | | Crystal structure of K74A mutant of Cap4 SAVED domain-containing receptor from Enterobacter cloacae | | Descriptor: | CD-NTase-associated protein 4, MAGNESIUM ION | | Authors: | Ko, T.-P, Yang, C.-S, Hou, M.-H, Wang, Y.-C, Chen, Y. | | Deposit date: | 2022-07-15 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.428 Å) | | Cite: | Specific recognition of cyclic oligonucleotides by Cap4 for phage infection.
Int.J.Biol.Macromol., 237, 2023
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5LSW
 | | A CAF40-binding motif facilitates recruitment of the CCR4-NOT complex to mRNAs targeted by Drosophila Roquin | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell differentiation protein RCD1 homolog, LD12033p, ... | | Authors: | Sgromo, A, Raisch, T, Bawankar, P, Bhandari, D, Chen, Y, Kuzuoglu-Ozturk, D, Weichenrieder, O, Izaurralde, E. | | Deposit date: | 2016-09-05 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A CAF40-binding motif facilitates recruitment of the CCR4-NOT complex to mRNAs targeted by Drosophila Roquin.
Nat Commun, 8, 2017
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8D1P
 | | Crystal structure of Plasmodium falciparum GRP78-NBD in complex with 7-Deaza-2'-C-methyladenosine | | Descriptor: | 7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Chaperone DnaK, SULFATE ION | | Authors: | Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W. | | Deposit date: | 2022-05-27 | | Release date: | 2023-05-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
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8D1S
 | | Crystal structure of Plasmodium falciparum GRP78 in complex with Toyocamycin | | Descriptor: | 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Chaperone DnaK, SULFATE ION | | Authors: | Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W. | | Deposit date: | 2022-05-27 | | Release date: | 2023-05-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
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8D1Q
 | | Crystal structure of Plasmodium falciparum GRP78-NBD in complex with 8-Aminoadenosine | | Descriptor: | (2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, Chaperone DnaK, SULFATE ION | | Authors: | Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W. | | Deposit date: | 2022-05-27 | | Release date: | 2023-05-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
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2MA2
 | | Solution structure of RasGRP2 EF hands bound to calcium | | Descriptor: | RAS guanyl-releasing protein 2 | | Authors: | Kuriyan, J, Iwig, J, Vercoulen, Y, Das, R, Barros, T, Limnander, A, Che, Y, Pelton, J, Wemmer, D, Roose, J. | | Deposit date: | 2013-06-24 | | Release date: | 2013-08-21 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural analysis of autoinhibition in the Ras-specific exchange factor RasGRP1.
Elife, 2, 2013
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6DO2
 | | Crystal structure of human GRP78 in complex with 7-deaza-2'-C-methyladenosine | | Descriptor: | 7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Endoplasmic reticulum chaperone BiP | | Authors: | Ferrie, R.P, Chen, Y, Antoshchenko, T, Cooney, O.M, Huang, Y, Park, H.W. | | Deposit date: | 2018-06-08 | | Release date: | 2019-06-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of human GRP78 in complex with 7-deaza-2'-C-methyladenosine
To Be Published
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6DFM
 | | Crystal structure of human GRP78 in complex with 8-aminoadenosine | | Descriptor: | (2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, Endoplasmic reticulum chaperone BiP | | Authors: | Ferrie, R.P, Chen, Y, Antoshchenko, T, Cooney, O.M, Huang, Y, Park, H.W. | | Deposit date: | 2018-05-15 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Crystal structure of human GRP78 in complex with 8-aminoadenosine
To be Published
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8TAI
 | | TMEM16F, with Calcium and PIP2, no inhibitor, Cl2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Anoctamin-6, CALCIUM ION | | Authors: | Wu, H, Feng, S, Cheng, Y. | | Deposit date: | 2023-06-27 | | Release date: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase.
Nat Commun, 14, 2023
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8TAL
 | | TMEM16F, with Calcium and PIP2, no inhibitor, Cl1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Anoctamin-6, CALCIUM ION | | Authors: | Wu, H, Feng, S, Cheng, Y. | | Deposit date: | 2023-06-27 | | Release date: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase.
Nat Commun, 14, 2023
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8SUR
 | | TMEM16F bound with Niclosamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide, ... | | Authors: | Feng, S, Cheng, Y. | | Deposit date: | 2023-05-13 | | Release date: | 2023-09-06 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase.
Nat Commun, 14, 2023
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8TAG
 | | TMEM16F, with Calcium and PIP2, no inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Anoctamin-6, CALCIUM ION | | Authors: | Feng, S, Cheng, Y. | | Deposit date: | 2023-06-27 | | Release date: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase.
Nat Commun, 14, 2023
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