7CHB
 
 | | Crystal structure of the SARS-CoV-2 RBD in complex with BD-236 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD-236 Fab heavy chain, BD-236 Fab light chain, ... | | Authors: | Xiao, J, Zhu, Q. | | Deposit date: | 2020-07-05 | | Release date: | 2020-09-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
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7CHC
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7CH5
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6J8R
 | | Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01 | | Descriptor: | Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ... | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-01-21 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.575 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
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6J8Q
 | | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001 | | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-01-21 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.787 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
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6JN4
 | | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001 | | Descriptor: | ACETATE ION, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-03-13 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
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6JN5
 | | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23 | | Descriptor: | Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-03-13 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
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6JN3
 | | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05 | | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, Serine Beta-Lactamase KPC-2, ... | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-03-13 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.216 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
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6JN6
 | | Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19 | | Descriptor: | Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ... | | Authors: | Li, G.-B, Liu, S. | | Deposit date: | 2019-03-13 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
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7CKF
 | | The N-terminus of interferon-inducible antiviral protein-dimer | | Descriptor: | ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, Guanylate-binding protein 5, ... | | Authors: | Cui, W, Yang, H.T. | | Deposit date: | 2020-07-16 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.284 Å) | | Cite: | Structural basis for GTP-induced dimerization and antiviral function of guanylate-binding proteins.
Proc.Natl.Acad.Sci.USA, 118, 2021
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4PAR
 | | The 5-Hydroxymethylcytosine-Specific Restriction Enzyme AbaSI in a Complex with Product-like DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA 14-MER, DNA 18-MER, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2014-04-09 | | Release date: | 2014-06-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structure of 5-hydroxymethylcytosine-specific restriction enzyme, AbaSI, in complex with DNA.
Nucleic Acids Res., 42, 2014
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7CBZ
 | | Crystal structure of T2R-TTL-A31 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide, CALCIUM ION, ... | | Authors: | Yang, J.H, Yan, W. | | Deposit date: | 2020-06-15 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Design, Synthesis, and Bioactivity Evaluation of Dual-Target Inhibitors of Tubulin and Src Kinase Guided by Crystal Structure.
J.Med.Chem., 64, 2021
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1LS4
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3HC8
 | | Investigation of Aminopyridiopyrazinones as PDE5 Inhibitors: Evaluation of Modifications to the Central Ring System. | | Descriptor: | 6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Hughes, R.O, Stallings, W.C, Cubbage, J.W, Williams, J.M. | | Deposit date: | 2009-05-05 | | Release date: | 2009-07-07 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Investigation of aminopyridiopyrazinones as PDE5 inhibitors: Evaluation of modifications to the central ring system.
Bioorg.Med.Chem.Lett., 19, 2009
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2H35
 | | Solution structure of Human normal adult hemoglobin | | Descriptor: | Hemoglobin alpha subunit, Hemoglobin beta subunit, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Fan, J.S, Yang, D. | | Deposit date: | 2006-05-22 | | Release date: | 2006-11-14 | | Last modified: | 2023-03-22 | | Method: | SOLUTION NMR | | Cite: | A new strategy for structure determination of large proteins in solution without deuteration
Nat.Methods, 3, 2006
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7CJL
 | | Metallo-Beta-Lactamase VIM-2 in complex with (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide | | Descriptor: | (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide, Beta-lactamase class B VIM-2, FORMIC ACID, ... | | Authors: | Yan, Y.-H, Chen, J, Zhan, Z, Yu, Z.-J, Li, G, Li, G.-B, Guo, L, Wu, Y. | | Deposit date: | 2020-07-11 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.789 Å) | | Cite: | Discovery of mercaptopropanamide-substituted aryl tetrazoles as new broad-spectrum metallo-beta-lactamase inhibitors.
Rsc Adv, 10, 2020
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5KL6
 | | Wilms Tumor Protein (WT1) Q369R ZnF2-4 in complex with DNA | | Descriptor: | DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*GP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*CP*CP*CP*CP*AP*CP*GP*C)-3'), Wilms tumor protein, ... | | Authors: | Hashimoto, H, Cheng, X. | | Deposit date: | 2016-06-23 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.641 Å) | | Cite: | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016
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5KL4
 | | Wilms Tumor Protein (WT1) ZnF2-4 Q369H in complex with formylated DNA | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(5FC)P*GP*T)-3'), ... | | Authors: | Hashimoto, H, Cheng, X. | | Deposit date: | 2016-06-23 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.783 Å) | | Cite: | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016
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5KL5
 | | Wilms Tumor Protein (WT1) ZnF2-4 Q369H in complex with carboxylated DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(1CC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ... | | Authors: | Hashimoto, H, Cheng, X. | | Deposit date: | 2016-06-23 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.289 Å) | | Cite: | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016
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5KL2
 | | Wilms Tumor Protein (WT1) ZnF2-4 in complex with DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), ... | | Authors: | Hashimoto, H, Cheng, X. | | Deposit date: | 2016-06-23 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.692 Å) | | Cite: | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016
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5KL3
 | | Wilms Tumor Protein (WT1) ZnF2-4 Q369H in complex with DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), ... | | Authors: | Hashimoto, H, Cheng, X. | | Deposit date: | 2016-06-23 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.449 Å) | | Cite: | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016
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5KL7
 | | Wilms Tumor Protein (WT1) ZnF2-4Q369R in complex with carboxylated DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*(1CC)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*CP*GP*C)-3'), ... | | Authors: | Hashimoto, H, Cheng, X. | | Deposit date: | 2016-06-23 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.579 Å) | | Cite: | Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016
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5HCV
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3PDU
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3PEF
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