6XOM
 
 | | DCN1 bound to 8 | | Descriptor: | (2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide, 1,2-ETHANEDIOL, Lysozyme, ... | | Authors: | Stuckey, J.A. | | Deposit date: | 2020-07-07 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
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6XOL
 | | DCN1 bound to DI-1548 | | Descriptor: | Lysozyme, DCN1-like protein 1 chimera, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | | Authors: | Stuckey, J.A. | | Deposit date: | 2020-07-07 | | Release date: | 2021-06-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
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6XOP
 | | DCN1 bound to inhibitor 10 | | Descriptor: | Lysozyme, DCN1-like protein 1 chimera, N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | | Authors: | Stuckey, J.A. | | Deposit date: | 2020-07-07 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
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6PBN
 | | Pseudopaline Dehydrogenase with (R)-Pseudopaline Soaked 1 hour | | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, N-[(3S)-3-amino-3-carboxypropyl]-L-histidine, ... | | Authors: | McFarlane, J.S, Lamb, A.L. | | Deposit date: | 2019-06-14 | | Release date: | 2019-10-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores.
J.Biol.Chem., 294, 2019
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7MPA
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4CHK
 | | Crystal Structure of the ARF5 oligomerization domain | | Descriptor: | AUXIN RESPONSE FACTOR 5 | | Authors: | Nanao, M.H, Mazzoleni, M, Thevenon, E, Brunoud, G, Vernoux, T, Parcy, F, Dumas, R. | | Deposit date: | 2013-12-03 | | Release date: | 2014-04-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural Basis for Oligomerisation of Auxin Transcriptional Regulators
Nat.Commun., 5, 2014
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1FWI
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6PBM
 | | Pseudopaline Dehydrogenase with NADP+ bound | | Descriptor: | 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pseudopaline Dehydrogenase | | Authors: | McFarlane, J.S, Lamb, A.L. | | Deposit date: | 2019-06-14 | | Release date: | 2019-10-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores.
J.Biol.Chem., 294, 2019
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4NOO
 | | Molecular mechanism for self-protection against type VI secretion system in Vibrio cholerae | | Descriptor: | Putative uncharacterized protein, VgrG protein | | Authors: | Yang, X, Xu, M, Jiang, T, Fan, Z. | | Deposit date: | 2013-11-20 | | Release date: | 2014-04-09 | | Last modified: | 2014-04-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular mechanism for self-protection against the type VI secretion system in Vibrio cholerae.
Acta Crystallogr.,Sect.D, 70, 2014
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6PBP
 | | Pseudopaline Dehydrogenase with (S)-Pseudopaline Soaked 1 hour | | Descriptor: | 1,2-ETHANEDIOL, N-[(1S)-1-carboxy-3-{[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}propyl]-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | McFarlane, J.S, Lamb, A.L. | | Deposit date: | 2019-06-14 | | Release date: | 2019-10-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores.
J.Biol.Chem., 294, 2019
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5UOO
 | | BRD4 bromodomain 2 in complex with CD161 | | Descriptor: | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indole, Bromodomain-containing protein 4 | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2017-02-01 | | Release date: | 2017-05-17 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structure-Based Discovery of 4-(6-Methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole (CD161) as a Potent and Orally Bioavailable BET Bromodomain Inhibitor.
J. Med. Chem., 60, 2017
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5UFI
 | | DCN1 bound to DI-591 | | Descriptor: | DCN1-like protein 1, N-[(1S)-1-cyclohexyl-2-{[3-(morpholin-4-yl)propanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | | Authors: | Stuckey, J. | | Deposit date: | 2017-01-04 | | Release date: | 2017-11-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | A potent small-molecule inhibitor of the DCN1-UBC12 interaction that selectively blocks cullin 3 neddylation.
Nat Commun, 8, 2017
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5X0S
 | | Solution NMR structure of peptide toxin SsTx from Scolopendra subspinipes mutilans | | Descriptor: | SsTx | | Authors: | Wu, F, Luo, L, Qu, D, Zhang, L, Tian, C, Lai, R. | | Deposit date: | 2017-01-23 | | Release date: | 2018-01-24 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Centipedes subdue giant prey by blocking KCNQ channels
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7JWY
 | | Structure of SARS-CoV-2 spike at pH 4.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Zhou, T, Tsybovsky, Y, Kwong, P.D. | | Deposit date: | 2020-08-26 | | Release date: | 2020-11-25 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
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7DWS
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7DXL
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1I92
 | | STRUCTURAL BASIS OF THE NHERF PDZ1-CFTR INTERACTION | | Descriptor: | CHLORIDE ION, NA+/H+ EXCHANGE REGULATORY CO-FACTOR | | Authors: | Karthikeyan, S, Leung, T, Ladias, J.A.A. | | Deposit date: | 2001-03-16 | | Release date: | 2001-06-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis of the Na+/H+ exchanger regulatory factor PDZ1 interaction with the carboxyl-terminal region of the cystic fibrosis transmembrane conductance regulator.
J.Biol.Chem., 276, 2001
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5VFC
 | | WDR5 bound to inhibitor MM-589 | | Descriptor: | 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ... | | Authors: | Stuckey, J.A. | | Deposit date: | 2017-04-07 | | Release date: | 2017-06-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J. Med. Chem., 60, 2017
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1I5Y
 | | HIV-1 GP41 CORE | | Descriptor: | SULFATE ION, TRANSMEMBRANE GLYCOPROTEIN (GP41) | | Authors: | Liu, J, Lu, M. | | Deposit date: | 2001-03-01 | | Release date: | 2002-09-10 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and functional analysis of interhelical interactions in the human
immunodeficiency virus type 1 gp41 envelope glycoprotein by alanine-scanning
mutagenesis.
J.Virol., 75, 2001
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3AJ2
 | | The structure of AxCeSD octamer (C-terminal HIS-tag) from Acetobacter xylinum | | Descriptor: | Cellulose synthase operon protein D | | Authors: | Hu, S.Q, Tajima, K, Zhou, Y, Tanaka, I, Yao, M. | | Deposit date: | 2010-05-20 | | Release date: | 2010-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of bacterial cellulose synthase subunit D octamer with four inner passageways
Proc.Natl.Acad.Sci.USA, 107, 2010
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1I5X
 | | HIV-1 GP41 CORE | | Descriptor: | SULFATE ION, TRANSMEMBRANE GLYCOPROTEIN (GP41) | | Authors: | Liu, J, Lu, M. | | Deposit date: | 2001-03-01 | | Release date: | 2002-09-10 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and functional analysis of interhelical interactions in the human
immunodeficiency virus type 1 gp41 envelope glycoprotein by alanine-scanning
mutagenesis.
J.Virol., 75, 2001
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3AJ1
 | | The structure of AxCeSD octamer (N-terminal HIS-tag) from Acetobacter xylinum | | Descriptor: | Cellulose synthase operon protein D | | Authors: | Hu, S.Q, Tajima, K, Zhou, Y, Tanaka, I, Yao, M. | | Deposit date: | 2010-05-20 | | Release date: | 2010-10-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of bacterial cellulose synthase subunit D octamer with four inner passageways
Proc.Natl.Acad.Sci.USA, 107, 2010
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6IV9
 | | the Cas13d binary complex | | Descriptor: | Cas13d, MAGNESIUM ION, crRNA (50-MER) | | Authors: | Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y. | | Deposit date: | 2018-12-02 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d.
Nat Commun, 10, 2019
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6IV8
 | | the selenomethionine(SeMet)-derived Cas13d binary complex | | Descriptor: | MAGNESIUM ION, RNA (51-MER), RNA (53-MER), ... | | Authors: | Zhang, B, Ye, Y.M, Ye, W.W, OuYang, S.Y. | | Deposit date: | 2018-12-02 | | Release date: | 2019-06-19 | | Last modified: | 2019-06-26 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Two HEPN domains dictate CRISPR RNA maturation and target cleavage in Cas13d.
Nat Commun, 10, 2019
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5Y7L
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