7KX5
| Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with noncovalent inhibitor Jun8-76-3A | Descriptor: | 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide | Authors: | Sacco, M, Wang, J, Chen, Y. | Deposit date: | 2020-12-03 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity. J.Am.Chem.Soc., 143, 2021
|
|
5IE1
| Crystal structure of BACE1 in complex with 3-(2-amino-6-(o-tolyl)quinolin-3-yl)-N-(3,3-dimethylbutyl)propanamide | Descriptor: | 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide, Beta-secretase 1, GLYCEROL, ... | Authors: | Jordan, J.B, Whittington, D.A, Bartberger, M.D, Sickmier, E.A, Chen, K, Cheng, Y, Judd, T. | Deposit date: | 2016-02-24 | Release date: | 2016-03-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
|
|
5J3R
| Crystal structure of yeast monothiol glutaredoxin Grx6 in complex with a glutathione-coordinated [2Fe-2S] cluster | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, GLUTATHIONE, Monothiol glutaredoxin-6 | Authors: | Abdalla, M, Dai, Y.-N, Chi, C.-B, Cheng, W, Cao, D.-D, Zhou, K, Ali, W, Chen, Y, Zhou, C.-Z. | Deposit date: | 2016-03-31 | Release date: | 2016-10-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Crystal structure of yeast monothiol glutaredoxin Grx6 in complex with a glutathione-coordinated [2Fe-2S] cluster Acta Crystallogr.,Sect.F, 72, 2016
|
|
6NE3
| Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h bound at SHL-2 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (156-MER), Histone H2A type 1, ... | Authors: | Armache, J.-P, Gamarra, N, Johnson, S.L, Leonard, J.D, Wu, S, Narlikar, G.N, Cheng, Y. | Deposit date: | 2018-12-16 | Release date: | 2019-07-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structures of remodeler-nucleosome intermediates suggest allosteric control through the nucleosome. Elife, 8, 2019
|
|
6WTT
| Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376 | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Sacco, M, Ma, C, Chen, Y, Wang, J. | Deposit date: | 2020-05-03 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease. Cell Res., 30, 2020
|
|
6BD4
| Crystal structure of human apo-Frizzled4 receptor | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Frizzled-4/Rubredoxin chimeric protein, OLEIC ACID, ... | Authors: | Yang, S, Wu, Y, Pu, M, Chen, Y, Dong, S, Guo, Y, Han, G.Y, Stevens, R.C, Zhao, S, Xu, F. | Deposit date: | 2017-10-21 | Release date: | 2018-08-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the Frizzled 4 receptor in a ligand-free state. Nature, 560, 2018
|
|
5DI0
| Crystal structure of Dln1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y. | Deposit date: | 2015-08-31 | Release date: | 2016-02-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein. Embo Rep., 17, 2016
|
|
7RCZ
| Crystal structure of C. difficile SpoVD in complex with ampicillin | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2021-07-08 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile. Nat Commun, 13, 2022
|
|
7RCY
| Crystal structure of C. difficile penicillin-binding protein 2 in complex with ceftobiprole | Descriptor: | (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Penicillin-binding protein, ZINC ION | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2021-07-08 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile. Nat Commun, 13, 2022
|
|
7RCX
| |
7RD0
| |
7RCW
| Crystal structure of C. difficile penicillin-binding protein 2 in complex with ampicillin | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2021-07-08 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile. Nat Commun, 13, 2022
|
|
1VBT
| Structure of cyclophilin complexed with sulfur-substituted tetrapeptide AAPF | Descriptor: | CYCLOPHILIN A, SULFUR-SUBSTITUTED TETRAPEPTIDE | Authors: | Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H. | Deposit date: | 1998-06-16 | Release date: | 1999-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insight Into Conversion of Substrate to Inhibitor To be Published
|
|
6CZ1
| Crystal structure of ATPase domain of Human GRP78 bound to Ver155008 | Descriptor: | 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, Endoplasmic reticulum chaperone BiP, MAGNESIUM ION | Authors: | Antoshchenko, T, Chen, Y, Hughes, S, Park, H. | Deposit date: | 2018-04-07 | Release date: | 2019-04-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Crystallographic selection of adenosine analogs that fit the mold of the active site of human GRP78 and beyond To be Published
|
|
7S0V
| |
1Y7I
| Structural and biochemical studies identify tobacco SABP2 as a methylsalicylate esterase and further implicate it in plant innate immunity, Northeast Structural Genomics Target AR2241 | Descriptor: | 2-HYDROXYBENZOIC ACID, salicylic acid-binding protein 2 | Authors: | Forouhar, F, Yang, Y, Kumar, D, Chen, Y, Fridman, E, Park, S.W, Chiang, Y, Acton, T.B, Montelione, G.T, Pichersky, E, Klessig, D.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-12-08 | Release date: | 2004-12-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity Proc.Natl.Acad.Sci.USA, 102, 2005
|
|
5VKQ
| Structure of a mechanotransduction ion channel Drosophila NOMPC in nanodisc | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, No mechanoreceptor potential C isoform L | Authors: | Jin, P, Bulkley, D, Guo, Y, Zhang, W, Guo, Z, Huynh, W, Wu, S, Meltzer, S, Chen, T, Jan, L.Y, Jan, Y.-N, Cheng, Y. | Deposit date: | 2017-04-22 | Release date: | 2017-06-28 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.55 Å) | Cite: | Electron cryo-microscopy structure of the mechanotransduction channel NOMPC. Nature, 547, 2017
|
|
1Y7H
| Structural and biochemical studies identify tobacco SABP2 as a methylsalicylate esterase and further implicate it in plant innate immunity, Northeast Structural Genomics Target AR2241 | Descriptor: | THIOCYANATE ION, salicylic acid-binding protein 2 | Authors: | Forouhar, F, Yang, Y, Kumar, D, Chen, Y, Fridman, E, Park, S.W, Chiang, Y, Acton, T.B, Montelione, G.T, Pichersky, E, Klessig, D.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-12-08 | Release date: | 2004-12-28 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity Proc.Natl.Acad.Sci.Usa, 102, 2005
|
|
8VSB
| L-TGF-b3/GARP | Descriptor: | Transforming growth factor beta activator LRRC32, Transforming growth factor beta-3 proprotein | Authors: | Jin, M, Cheng, Y, Nishimura, S.L. | Deposit date: | 2024-01-23 | Release date: | 2024-09-11 | Last modified: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Dynamic allostery drives autocrine and paracrine TGF-beta signaling. Cell, 2024
|
|
8VS6
| L-TGF-b3/avb8 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Jin, M, Cheng, Y, Nishimura, S.L. | Deposit date: | 2024-01-23 | Release date: | 2024-09-11 | Last modified: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Dynamic allostery drives autocrine and paracrine TGF-beta signaling. Cell, 2024
|
|
8VSD
| avb8/L-TGF-b1/GARP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Jin, M, Cheng, Y, Nishimura, S.L. | Deposit date: | 2024-01-23 | Release date: | 2024-09-11 | Last modified: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Dynamic allostery drives autocrine and paracrine TGF-beta signaling. Cell, 2024
|
|
8VSC
| L-TGF-b1/GARP | Descriptor: | Transforming growth factor beta activator LRRC32, Transforming growth factor beta-1 proprotein | Authors: | Jin, M, Cheng, Y, Nishimura, S.L. | Deposit date: | 2024-01-23 | Release date: | 2024-09-11 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Dynamic allostery drives autocrine and paracrine TGF-beta signaling. Cell, 2024
|
|
8DDI
| |
8DDM
| |
5XU1
| Structure of a non-canonical ABC transporter from Streptococcus pneumoniae R6 | Descriptor: | ABC transporter ATP-binding protein, ABC transporter permeae, MAGNESIUM ION | Authors: | Yang, H.B, Jiang, Y.L, Hou, W.T, Chen, M.T, Chen, Y, Zhou, C.Z. | Deposit date: | 2017-06-22 | Release date: | 2018-01-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of a MacAB-like efflux pump from Streptococcus pneumoniae. Nat Commun, 9, 2018
|
|