6K0Z
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![BU of 6k0z by Molmil](/molmil-images/mine/6k0z) | Substrate bound state of Staphylococcus Aureus AldH | Descriptor: | 1,2-ETHANEDIOL, Aldehyde dehydrogenase, GLYCEROL | Authors: | Zhang, Z, Tao, X. | Deposit date: | 2019-05-08 | Release date: | 2020-05-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4967258 Å) | Cite: | Structural Insight into the Substrate Gating Mechanism by Staphylococcus aureus Aldehyde Dehydrogenase CCS Chemistry, 2, 2020
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4Z7P
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![BU of 4z7p by Molmil](/molmil-images/mine/4z7p) | X-ray structure of racemic ShK Q16K toxin | Descriptor: | Potassium channel toxin kappa-stichotoxin-She1a, SULFATE ION | Authors: | Sickmier, E.A. | Deposit date: | 2015-04-07 | Release date: | 2015-09-09 | Last modified: | 2015-09-23 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Pharmaceutical Optimization of Peptide Toxins for Ion Channel Targets: Potent, Selective, and Long-Lived Antagonists of Kv1.3. J.Med.Chem., 58, 2015
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1AQL
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![BU of 1aql by Molmil](/molmil-images/mine/1aql) | |
4HF4
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![BU of 4hf4 by Molmil](/molmil-images/mine/4hf4) | |
4HEU
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![BU of 4heu by Molmil](/molmil-images/mine/4heu) | |
4H1M
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![BU of 4h1m by Molmil](/molmil-images/mine/4h1m) | Crystal structure of PYK2 with the indole 10c | Descriptor: | 7-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)-N-(propan-2-yl)-1H-indole-2-carboxamide, Protein-tyrosine kinase 2-beta | Authors: | Han, S. | Deposit date: | 2012-09-10 | Release date: | 2012-11-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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8F8Y
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![BU of 8f8y by Molmil](/molmil-images/mine/8f8y) | PHF2 (PHD+JMJ) in Complex with VRK1 N-Terminal Peptide | Descriptor: | 1,2-ETHANEDIOL, Lysine-specific demethylase PHF2, SULFATE ION, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2022-11-22 | Release date: | 2023-01-18 | Last modified: | 2023-02-08 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2. J.Biol.Chem., 299, 2022
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8F8Z
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![BU of 8f8z by Molmil](/molmil-images/mine/8f8z) | |
7STF
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![BU of 7stf by Molmil](/molmil-images/mine/7stf) | Structure of KRAS G12V/HLA-A*03:01 in complex with antibody fragment V2 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ... | Authors: | Wright, K.M, Gabelli, S.B, Miller, M. | Deposit date: | 2021-11-12 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Hydrophobic interactions dominate the recognition of a KRAS G12V neoantigen. Nat Commun, 14, 2023
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8FS1
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![BU of 8fs1 by Molmil](/molmil-images/mine/8fs1) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11a (YD905) | Descriptor: | 1,2-ETHANEDIOL, 5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), ... | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2023-01-09 | Release date: | 2023-05-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase. Acs Chem.Biol., 18, 2023
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6KIN
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![BU of 6kin by Molmil](/molmil-images/mine/6kin) | Crystal structure of the tri-functional malyl-CoA lyase from Roseiflexus castenholzii | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase | Authors: | Tang, W.R, Zhang, C.Y, Wang, C, Xu, X.L. | Deposit date: | 2019-07-19 | Release date: | 2019-09-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.527 Å) | Cite: | The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii. Biochem.Biophys.Res.Commun., 518, 2019
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8FS2
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![BU of 8fs2 by Molmil](/molmil-images/mine/8fs2) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11b (YD907) | Descriptor: | 1,2-ETHANEDIOL, 5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), ... | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2023-01-09 | Release date: | 2023-05-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase. Acs Chem.Biol., 18, 2023
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7W0S
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![BU of 7w0s by Molmil](/molmil-images/mine/7w0s) | TRIM7 in complex with C-terminal peptide of 2C | Descriptor: | DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase TRIM7, GLYCEROL, ... | Authors: | Zhang, H, Liang, X, Li, X.Z. | Deposit date: | 2021-11-18 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures. Nat.Chem.Biol., 18, 2022
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7W0Q
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![BU of 7w0q by Molmil](/molmil-images/mine/7w0q) | TRIM7 in complex with C-terminal peptide of 2C | Descriptor: | E3 ubiquitin-protein ligase TRIM7, peptide | Authors: | Zhang, H, Liang, X, Li, X.Z. | Deposit date: | 2021-11-18 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures. Nat.Chem.Biol., 18, 2022
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7W0T
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![BU of 7w0t by Molmil](/molmil-images/mine/7w0t) | TRIM7 in complex with C-terminal peptide of 2C | Descriptor: | E3 ubiquitin-protein ligase TRIM7, peptide | Authors: | Zhang, H, Liang, X, Li, X.Z. | Deposit date: | 2021-11-18 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | A C-terminal glutamine recognition mechanism revealed by E3 ligase TRIM7 structures. Nat.Chem.Biol., 18, 2022
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8JEL
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![BU of 8jel by Molmil](/molmil-images/mine/8jel) | Crystal structure of TIGIT in complexed with Ociperlimab, crystal form I | Descriptor: | T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain | Authors: | Sun, J, Zhang, X.X, Song, J. | Deposit date: | 2023-05-16 | Release date: | 2024-02-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab. Structure, 32, 2024
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8JEQ
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![BU of 8jeq by Molmil](/molmil-images/mine/8jeq) | Crystal structure of Tiragolumab | Descriptor: | antibody heavy chain, antibody light chain | Authors: | Sun, J, Zhang, X.X, Song, J. | Deposit date: | 2023-05-16 | Release date: | 2024-02-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab. Structure, 32, 2024
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8JEP
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![BU of 8jep by Molmil](/molmil-images/mine/8jep) | Crystal structure of Ociperlimab | Descriptor: | antibody heavy chain, antibody light chain | Authors: | Sun, J, Zhang, X.X, Song, J. | Deposit date: | 2023-05-16 | Release date: | 2024-02-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab. Structure, 32, 2024
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8JEN
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![BU of 8jen by Molmil](/molmil-images/mine/8jen) | Crystal structure of TIGIT in complexed with Ociperlimab, crystal form II | Descriptor: | T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain | Authors: | Sun, J, Zhang, X.X, Song, J. | Deposit date: | 2023-05-16 | Release date: | 2024-02-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab. Structure, 32, 2024
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8JEO
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![BU of 8jeo by Molmil](/molmil-images/mine/8jeo) | Crystal structure of TIGIT in complexed with Tiragolumab | Descriptor: | T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain | Authors: | Sun, J, Zhang, X.X, Song, J. | Deposit date: | 2023-05-16 | Release date: | 2024-02-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab. Structure, 32, 2024
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6IGO
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![BU of 6igo by Molmil](/molmil-images/mine/6igo) | Crystal structure of myelin protein zero-like protein 1 (MPZL1) | Descriptor: | Myelin protein zero-like protein 1 | Authors: | Yu, T. | Deposit date: | 2018-09-25 | Release date: | 2018-11-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.746 Å) | Cite: | Structural and biochemical studies of the extracellular domain of Myelin protein zero-like protein 1 Biochem. Biophys. Res. Commun., 506, 2018
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6LJS
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![BU of 6ljs by Molmil](/molmil-images/mine/6ljs) | Crystal structure of human FABP4 in complex with a novel inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-[(2-phenylphenyl)amino]benzoic acid, Fatty acid-binding protein, ... | Authors: | Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C. | Deposit date: | 2019-12-17 | Release date: | 2020-04-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation. J.Med.Chem., 63, 2020
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6IGT
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![BU of 6igt by Molmil](/molmil-images/mine/6igt) | MPZL1 mutant - V145G, Q146K, P147T and G148S | Descriptor: | Myelin protein zero-like protein 1 | Authors: | Yu, T. | Deposit date: | 2018-09-26 | Release date: | 2018-11-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.404 Å) | Cite: | Structural and biochemical studies of the extracellular domain of Myelin protein zero-like protein 1 Biochem. Biophys. Res. Commun., 506, 2018
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6IGW
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![BU of 6igw by Molmil](/molmil-images/mine/6igw) | MPZL1 mutant - S86G, V145G, Q146K,P147T,G148S | Descriptor: | Myelin protein zero-like protein 1 | Authors: | Yu, T. | Deposit date: | 2018-09-26 | Release date: | 2018-11-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.979 Å) | Cite: | Structural and biochemical studies of the extracellular domain of Myelin protein zero-like protein 1 Biochem. Biophys. Res. Commun., 506, 2018
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7X6Z
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![BU of 7x6z by Molmil](/molmil-images/mine/7x6z) | |