2NTT
 
 | | Crystal Structure of SEK | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Staphylococcal enterotoxin K | | Authors: | Gunther, S, Varma, A.K, Moza, B, Sundberg, E.J. | | Deposit date: | 2006-11-08 | | Release date: | 2007-06-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.561 Å) | | Cite: | A novel loop domain in superantigens extends their T cell receptor recognition site
J.Mol.Biol., 371, 2007
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6M60
 | | Plumbagin in complex with CRM1#-Ran-RanBP1 | | Descriptor: | (2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Sun, Q, Lei, Y. | | Deposit date: | 2020-03-12 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
J.Nat.Prod., 84, 2021
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4CU4
 | | FhuA from E. coli in complex with the lasso peptide microcin J25 (MccJ25) | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 3-HYDROXY-TETRADECANOIC ACID, DIPHOSPHATE, ... | | Authors: | Mathavan, I, Rebuffat, S, Beis, K. | | Deposit date: | 2014-03-17 | | Release date: | 2014-04-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for Hijacking Siderophore Receptors by Antimicrobial Lasso Peptides.
Nat.Chem.Biol., 10, 2014
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3FUR
 | | Crystal Structure of PPARg in complex with INT131 | | Descriptor: | 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide, CHLORIDE ION, Nuclear receptor coactivator 1, ... | | Authors: | Wang, Z, Liu, J, Walker, N. | | Deposit date: | 2009-01-14 | | Release date: | 2009-06-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | INT131: a selective modulator of PPAR gamma.
J.Mol.Biol., 386, 2009
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8D8R
 | | SARS-CoV-2 Spike RBD in complex with DMAb 2196 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2196 heavy chain, 2196 light chain, ... | | Authors: | Du, J, Cui, J, Pallesen, J. | | Deposit date: | 2022-06-08 | | Release date: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | DNA-delivered antibody cocktail exhibits improved pharmacokinetics and confers prophylactic protection against SARS-CoV-2.
Nat Commun, 13, 2022
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5VC9
 | | Zinc finger of human CXXC4 in complex with CpG DNA | | Descriptor: | CXXC-type zinc finger protein 4, CpG DNA, UNKNOWN ATOM OR ION, ... | | Authors: | Liu, K, Xu, C, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-03-31 | | Release date: | 2017-06-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
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5KA3
 | | Protein Tyrosine Phosphatase 1B YAYA (Y152A, Y153A) mutant in complex with TCS401, closed state | | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.141 Å) | | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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5KA1
 | | Protein Tyrosine Phosphatase 1B Delta helix 7 mutant in complex with TCS401, closed state | | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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3OOI
 | | Crystal Structure of Human Histone-Lysine N-methyltransferase NSD1 SET domain in Complex with S-adenosyl-L-methionine | | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-36 and H4 lysine-20 specific, S-ADENOSYLMETHIONINE, ... | | Authors: | Qiao, Q, Wang, M, Xu, R.M. | | Deposit date: | 2010-08-31 | | Release date: | 2010-12-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The structure of NSD1 reveals an autoregulatory mechanism underlying histone H3K36 methylation
J.Biol.Chem., 286, 2010
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8K8S
 | | F8-A22-E4 complex of MPXV in complex with DNA and Ara-CTP | | Descriptor: | 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, DNA (5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*TP*AP*GP*GP*TP*AP*GP*GP*GP*GP*AP*GP*GP*AP*T)-3'), ... | | Authors: | Shen, Y.P, Li, Y.N, Yan, R.H. | | Deposit date: | 2023-07-31 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Structural basis for the inhibition mechanism of the DNA polymerase holoenzyme from mpox virus.
Structure, 32, 2024
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8K8U
 | | F8-A22-E4 complex of MPXV in complex with DNA and dCTP | | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*AP*AP*GP*GP*TP*AP*GP*GP*GP*GP*AP*GP*GP*AP*T)-3'), ... | | Authors: | Shen, Y.P, Li, Y.N, Yan, R.H. | | Deposit date: | 2023-07-31 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Structural basis for the inhibition mechanism of the DNA polymerase holoenzyme from mpox virus.
Structure, 32, 2024
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2I2H
 | | NMR structure of TPC3 in TFE | | Descriptor: | signaling peptide TCP3 | | Authors: | Syvitski, R.T, Jakeman, D.L, Li, Y. | | Deposit date: | 2006-08-16 | | Release date: | 2006-10-17 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Structure-Activity Analysis of Quorum-Sensing Signaling Peptides from Streptococcus mutans.
J.Bacteriol., 189, 2007
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7V55
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3DYA
 | | HIV-1 RT with non-nucleoside inhibitor annulated Pyrazole 1 | | Descriptor: | 3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile, REVERSE TRANSCRIPTASE/RIBONUCLEASE H, p51 RT | | Authors: | Harris, S.F, Villasenor, A. | | Deposit date: | 2008-07-25 | | Release date: | 2008-11-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase
J.Med.Chem., 51, 2008
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5JJD
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3EBM
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7DWB
 | | Human Pannexin1 model | | Descriptor: | Pannexin-1 | | Authors: | Zhang, S.S, Yang, M.J. | | Deposit date: | 2021-01-17 | | Release date: | 2021-05-26 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Structure of the full-length human Pannexin1 channel and insights into its role in pyroptosis.
Cell Discov, 7, 2021
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3E01
 | | HIV-RT with non-nucleoside inhibitor annulated pyrazole 2 | | Descriptor: | 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile, Gag-Pol polyprotein | | Authors: | Harris, S.F, Villasenor, A. | | Deposit date: | 2008-07-30 | | Release date: | 2008-11-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase
J.Med.Chem., 51, 2008
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8D8Q
 | | SARS-CoV-2 Spike RBD in complex with DMAbs 2130 and 2196 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2130 heavy chain, 2130 light chain, ... | | Authors: | Du, J, Cui, J, Pallesen, J. | | Deposit date: | 2022-06-08 | | Release date: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | DNA-delivered antibody cocktail exhibits improved pharmacokinetics and confers prophylactic protection against SARS-CoV-2.
Nat Commun, 13, 2022
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5K9L
 | | Beclin 2 CCD N187L mutant homodimer | | Descriptor: | Beclin-2 | | Authors: | Su, M, Sinha, S. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | BECN2 interacts with ATG14 through a metastable coiled-coil to mediate autophagy.
Protein Sci., 26, 2017
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5KA9
 | | Protein Tyrosine Phosphatase 1B L192A mutant in complex with TCS401, open state | | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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1UP4
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1XP9
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5WXC
 | | Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 2) | | Descriptor: | Beta-2-microglobulin, H7-25-F, HLA class I histocompatibility antigen, ... | | Authors: | Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F. | | Deposit date: | 2017-01-07 | | Release date: | 2018-01-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.295 Å) | | Cite: | Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses.
Mbio, 9, 2018
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7DWY
 | | S protein of SARS-CoV-2 in the locked conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | | Authors: | Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q. | | Deposit date: | 2021-01-18 | | Release date: | 2021-03-31 | | Last modified: | 2021-06-16 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
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