4DVF
 
 | | Crystal structure of BACE1 with its inhibitor | | Descriptor: | Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-8-(2-METHYLPROPYL)-15-(3-[(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE | | Authors: | Xu, Y.C, Chen, W.Y, Li, L, Chen, T.T. | | Deposit date: | 2012-02-23 | | Release date: | 2013-01-16 | | Last modified: | 2021-09-15 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
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4DV9
 | | Crystal structure of BACE1 with its inhibitor | | Descriptor: | Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-AMINO-3-OXOPROPYL)-2,13-DIBENZYL-12,22-DIHYDROXY-3,5,17-TRIMETHYL-8-(2-METHYLPROPYL)-4,7,10,15,18,21-HEXAOXO-19-(PROPAN-2-YL)-3,6,9,14,17,20-HEXAAZATRICOSAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE (NON-PREFERRED NAME), SULFATE ION | | Authors: | Xu, Y.C, Chen, W.Y, Li, L, Chen, T.T. | | Deposit date: | 2012-02-23 | | Release date: | 2013-01-16 | | Last modified: | 2021-09-15 | | Method: | X-RAY DIFFRACTION (2.076 Å) | | Cite: | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
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3DEZ
 | | Crystal structure of Orotate phosphoribosyltransferase from Streptococcus mutans | | Descriptor: | Orotate phosphoribosyltransferase, SULFATE ION | | Authors: | Liu, C.P, Gao, Z.Q, Hou, H.F, Li, L.F, Su, X.D, Dong, Y.H. | | Deposit date: | 2008-06-11 | | Release date: | 2009-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of orotate phosphoribosyltransferase from the caries pathogen Streptococcus mutans
Acta Crystallogr.,Sect.F, 66, 2010
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2HCU
 | | Crystal Structure Of Smu.1381 (or LeuD) from Streptococcus Mutans | | Descriptor: | 3-isopropylmalate dehydratase small subunit, SULFATE ION | | Authors: | Gao, Z.Q, Hou, H.F, Li, L.F, Liang, Y.H, Su, X.D, Dong, Y.H. | | Deposit date: | 2006-06-19 | | Release date: | 2006-07-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure Of Smu.1381 (or LeuD) from Streptococcus Mutans
To be Published
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2G0I
 | | Crystal structure of SMU.848 from Streptococcus mutans | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, hypothetical protein SMU.848 | | Authors: | Hou, H.-F, Gao, Z.-Q, Li, L.-F, Liang, Y.-H, Su, X.-D, Dong, Y.-H. | | Deposit date: | 2006-02-13 | | Release date: | 2006-08-08 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of SMU.848 from Streptococcus mutans
To be Published
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7N1S
 | | Crystal Structure Analysis of Xac Nucleotide Pyrophosphatase/Phosphodiesterase | | Descriptor: | Phosphodiesterase-nucleotide pyrophosphatase, TETRAETHYLENE GLYCOL, ZINC ION | | Authors: | Fernandez, D, Li, L, Brown, J.A, Carozza, J.A. | | Deposit date: | 2021-05-28 | | Release date: | 2022-06-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | ENPP1's regulation of extracellular cGAMP is a ubiquitous mechanism of attenuating STING signaling.
Proc.Natl.Acad.Sci.USA, 119, 2022
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2G0J
 | | Crystal structure of SMU.848 from Streptococcus mutans | | Descriptor: | hypothetical protein SMU.848 | | Authors: | Hou, H.-F, Gao, Z.-Q, Li, L.-F, Liang, Y.-H, Su, X.-D, Dong, Y.-H. | | Deposit date: | 2006-02-13 | | Release date: | 2006-08-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of SMU.848 from Streptococcus mutans
To be Published
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1Q2U
 | | Crystal structure of DJ-1/RS and implication on familial Parkinson's disease | | Descriptor: | RNA-binding protein regulatory subunit | | Authors: | Huai, Q, Sun, Y, Wang, H, Chin, L.S, Li, L, Robinson, H, Ke, H. | | Deposit date: | 2003-07-26 | | Release date: | 2003-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of DJ-1/RS and implication on familial Parkinson's disease
Febs Lett., 549, 2003
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4RZF
 | | Crystal Structure Analysis of the NUR77 Ligand Binding Domain, S441W mutant | | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | Authors: | Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T. | | Deposit date: | 2014-12-21 | | Release date: | 2015-03-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
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6U0E
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4RZG
 | | Crystal Structure Analysis of the DNPA-bounded NUR77 Ligand binding Domain | | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1, pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate | | Authors: | Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T. | | Deposit date: | 2014-12-21 | | Release date: | 2015-03-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
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6LOX
 | | Crystal Structure of human glutaminase with macrocyclic inhibitor | | Descriptor: | (E)-15,22-Dioxa-4,11-diaza-5(2,5)-thiadiazola-10(3,6)-pyridazina-1,14(1,3)-dibenzenacyclodocosaphan-18-ene-3,12-dione, Glutaminase kidney isoform, mitochondrial | | Authors: | Bian, J, Li, Z, Xu, X, Wang, J, Li, L. | | Deposit date: | 2020-01-07 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure-Enabled Discovery of Novel Macrocyclic Inhibitors Targeting Glutaminase 1 Allosteric Binding Site.
J.Med.Chem., 64, 2021
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5KYK
 | | Covalent GTP-competitive inhibitors of KRAS G12C: Guanosine bisphosphonate Analogs | | Descriptor: | 5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine, GTPase KRas | | Authors: | Xiong, Y, Lu, J, Hunter, J, Li, L, Scott, D, Manandhar, A, Gondi, S, Westover, K.D, Gray, N.S. | | Deposit date: | 2016-07-21 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Covalent Guanosine Mimetic Inhibitors of G12C KRAS.
ACS Med Chem Lett, 8, 2017
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1HQT
 | | THE CRYSTAL STRUCTURE OF AN ALDEHYDE REDUCTASE Y50F MUTANT-NADP COMPLEX AND ITS IMPLICATIONS FOR SUBSTRATE BINDING | | Descriptor: | ALDEHYDE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Ye, Q, Hyndman, D, Green, N.C, Li, L, Korithoski, B, Jia, Z, Flynn, T.G. | | Deposit date: | 2000-12-19 | | Release date: | 2001-05-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Crystal Structure of an Aldehyde Reductase Y50F Mutant-NADP Complex and its Implications for Substrate Binding
Chem.Biol.Interact., 132, 2001
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7BWQ
 | | Structure of nonstructural protein Nsp9 from SARS-CoV-2 | | Descriptor: | Nsp9, SULFATE ION | | Authors: | Zhang, C, Chen, Y, Li, L, Su, D. | | Deposit date: | 2020-04-15 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.954 Å) | | Cite: | Structural basis for the multimerization of nonstructural protein nsp9 from SARS-CoV-2.
Mol Biomed, 1, 2020
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3V6M
 | | Inhibition of caspase-6 activity by single mutation outside the active site | | Descriptor: | Caspase-6 | | Authors: | Cao, Q, Wang, X.J, Liu, D.F, Li, L.F, Su, X.D. | | Deposit date: | 2011-12-20 | | Release date: | 2012-03-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.692 Å) | | Cite: | Inhibitory mechanism of caspase-6 phosphorylation revealed by crystal structures, molecular dynamics simulations, and biochemical assays
J.Biol.Chem., 287, 2012
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5GRM
 | | Crystal structure of rat STING in complex with cyclic GMP-AMP with 2'5'and 3'5'phosphodiester linkage(2'3'-cGAMP) | | Descriptor: | Stimulator of interferon genes protein, cGAMP | | Authors: | Zhang, H, Han, M.J, Tao, J.L, Ye, Z.Y, Du, X.X, Deng, M.J, Zhang, X.Y, Li, L.F, Jiang, Z.F, Su, X.D. | | Deposit date: | 2016-08-11 | | Release date: | 2017-10-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of rat STING in complex with cyclic GMP-AMP with 2'5'and 3'5'phosphodiester linkage(2'3'-cGAMP)
To Be Published
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3EOP
 | | Crystal Structure of the DUF55 domain of human thymocyte nuclear protein 1 | | Descriptor: | SULFATE ION, Thymocyte nuclear protein 1 | | Authors: | Yu, F, Song, A, Xu, C, Sun, L, Li, L, Tang, L, Hu, H, He, J. | | Deposit date: | 2008-09-29 | | Release date: | 2009-09-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Determining the DUF55-domain structure of human thymocyte nuclear protein 1 from crystals partially twinned by tetartohedry
Acta Crystallogr.,Sect.D, 65, 2009
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5F2E
 | | Crystal Structure of small molecule ARS-853 covalently bound to K-Ras G12C | | Descriptor: | 1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one, GLYCEROL, GLYCINE, ... | | Authors: | Patricelli, M.P, Janes, M.R, Li, L.-S, Hansen, R, Peters, U, Kessler, L.V, Chen, Y, Kucharski, J.M, Feng, J, Ely, T, Chen, J.H, Firdaus, S.J, Babbar, A, Ren, P, Liu, Y. | | Deposit date: | 2015-12-01 | | Release date: | 2016-01-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Selective Inhibition of Oncogenic KRAS Output with Small Molecules Targeting the Inactive State.
Cancer Discov, 6, 2016
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1Q3M
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3G7F
 | | Crystal structure of Blastochloris viridis heterodimer mutant reaction center | | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | Authors: | Ponomarenko, N.S, Li, L, Tereshko, V, Ismagilov, R.F, Norris Jr, J.R. | | Deposit date: | 2009-02-09 | | Release date: | 2009-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and spectropotentiometric analysis of Blastochloris viridis heterodimer mutant reaction center
Biochim.Biophys.Acta, 1788, 2009
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6OAW
 | | Crystal structure of a CRISPR Cas-related protein | | Descriptor: | UNKNOWN ATOM OR ION, WYL1 | | Authors: | Zhang, H, Dong, C, Li, L, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-03-18 | | Release date: | 2019-04-10 | | Last modified: | 2019-06-12 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into the modulatory role of the accessory protein WYL1 in the Type VI-D CRISPR-Cas system.
Nucleic Acids Res., 47, 2019
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4L22
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8GHR
 | | Structure of human ENPP1 in complex with variable heavy domain VH27.2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Carozza, J.A, Wang, H, Solomon, P.E, Wells, J.A, Li, L. | | Deposit date: | 2023-03-10 | | Release date: | 2023-08-02 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Discovery of VH domains that allosterically inhibit ENPP1.
Nat.Chem.Biol., 20, 2024
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6JSJ
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