5WBQ
| Structure of human Ketohexokinase complexed with hits from fragment screening | Descriptor: | 2-ethyl-7-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile, CHLORIDE ION, Ketohexokinase, ... | Authors: | Pandit, J. | Deposit date: | 2017-06-29 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J. Med. Chem., 60, 2017
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2O9Q
| The crystal structure of Bovine Trypsin complexed with a small inhibition peptide ORB2K | Descriptor: | CALCIUM ION, Cationic trypsin, ORB2K, ... | Authors: | Li, J, Zhang, C, Xu, X, Wang, J, Gong, W, Lai, R. | Deposit date: | 2006-12-14 | Release date: | 2007-12-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | From protease inhibitor to antibiotics: single point mutation makes tremendous functional shift To be Published
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8TUP
| Cryo-EM structure of the human MRS2 magnesium channel under Mg2+-free condition | Descriptor: | MAGNESIUM ION, Magnesium transporter MRS2 homolog, mitochondrial | Authors: | Lai, L.T.F, Balaraman, J, Zhou, F, Matthies, D. | Deposit date: | 2023-08-16 | Release date: | 2023-09-13 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures of human magnesium channel MRS2 reveal gating and regulatory mechanisms. Nat Commun, 14, 2023
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4OEX
| Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, T.T, Ren, J, Xu, Y.C. | Deposit date: | 2014-01-14 | Release date: | 2015-04-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors. J.Med.Chem., 57, 2014
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6W8R
| Crystal structure of metacaspase 4 C139A from Arabidopsis | Descriptor: | Metacaspase-4, SULFATE ION | Authors: | Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q. | Deposit date: | 2020-03-21 | Release date: | 2020-05-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Structural basis for Ca2+-dependent activation of a plant metacaspase. Nat Commun, 11, 2020
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6WBM
| Cryo-EM structure of human Pannexin 1 channel N255A mutant | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL, DIACYL GLYCEROL, ... | Authors: | Lu, W, Du, J, Ruan, Z. | Deposit date: | 2020-03-26 | Release date: | 2020-06-03 | Last modified: | 2021-06-30 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Structures of human pannexin 1 reveal ion pathways and mechanism of gating. Nature, 584, 2020
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8TUL
| Cryo-EM structure of the human MRS2 magnesium channel under Mg2+ condition | Descriptor: | MAGNESIUM ION, Magnesium transporter MRS2 homolog, mitochondrial | Authors: | Lai, L.T.F, Balaraman, J, Zhou, F, Matthies, D. | Deposit date: | 2023-08-16 | Release date: | 2023-09-13 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Cryo-EM structures of human magnesium channel MRS2 reveal gating and regulatory mechanisms. Nat Commun, 14, 2023
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7R0X
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6WA3
| Solution NMR structure of the myristoylated feline immunodeficiency virus matrix protein | Descriptor: | MYRISTIC ACID, Matrix protein | Authors: | Brown, J.B, Summers, H.R, Brown, L.A, Marchant, J, Canova, P.N, O'Hern, C.T, Abbott, S, Nyaunu, C, Maxwell, S, Johnson, T, Moser, M, Ablan, S.D, Carter, H, Freed, E.O, Summers, M.F. | Deposit date: | 2020-03-24 | Release date: | 2020-07-22 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structural and Mechanistic Studies of the Rare Myristoylation Signal of the Feline Immunodeficiency Virus. J.Mol.Biol., 432, 2020
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1CQH
| HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE INTERMEDIATE BETWEEN HUMAN THIOREDOXIN (C35A, C62A, C69A, C73A) MUTANT AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET SITE IN HUMAN REF-1 (RESIDUES 59-71 OF THE P50 SUBUNIT OF NFKB), NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | REF-1 PEPTIDE, THIOREDOXIN | Authors: | Clore, G.M, Qin, J, Gronenborn, A.M. | Deposit date: | 1996-04-02 | Release date: | 1996-08-01 | Last modified: | 2021-11-03 | Method: | SOLUTION NMR | Cite: | The solution structure of human thioredoxin complexed with its target from Ref-1 reveals peptide chain reversal. Structure, 4, 1996
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8BSA
| Vc1313-LBD bound to D-arginine | Descriptor: | D-ARGININE, Methyl-accepting chemotaxis protein | Authors: | ter Beek, J, Berntsson, R.P.-A. | Deposit date: | 2022-11-24 | Release date: | 2023-06-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | D-amino acids signal a stress-dependent run-away response in Vibrio cholerae. Nat Microbiol, 8, 2023
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8BSB
| Vc1313-LBD bound to D-lysine | Descriptor: | D-LYSINE, Methyl-accepting chemotaxis protein | Authors: | ter Beek, J, Berntsson, R.P.-A. | Deposit date: | 2022-11-24 | Release date: | 2023-06-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | D-amino acids signal a stress-dependent run-away response in Vibrio cholerae. Nat Microbiol, 8, 2023
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8U27
| Bcl-2-xL complexed with compound 35 | Descriptor: | Apoptosis regulator Bcl-2, Bcl-2-like protein 1 chimera, propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate | Authors: | Rizo, J, Pan, Y.-Z. | Deposit date: | 2023-09-05 | Release date: | 2023-09-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insights for selective disruption of Beclin 1 binding to Bcl-2. Commun Biol, 6, 2023
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6VRY
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6VW9
| C-terminal regulatory domain of the chloride transporter KCC-1 from C. elegans, proteolyzed during crystallization | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, GLYCEROL, K+/Cl-Cotransporter | Authors: | Zimanyi, C.M, Cheung, J. | Deposit date: | 2020-02-19 | Release date: | 2020-07-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the Regulatory Cytosolic Domain of a Eukaryotic Potassium-Chloride Cotransporter. Structure, 28, 2020
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2H3I
| Solution structure of the HIV-1 myristoylated Matrix protein | Descriptor: | Gag polyprotein, MYRISTIC ACID | Authors: | Saad, J.S, Miller, J, Tai, J, Kim, A, Ghanam, R.H, Summers, M.F. | Deposit date: | 2006-05-22 | Release date: | 2006-07-25 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Structural basis for targeting HIV-1 Gag proteins to the plasma membrane for virus assembly. Proc.Natl.Acad.Sci.Usa, 103, 2006
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3PKN
| Crystal structure of MLLE domain of poly(A) binding protein in complex with PAM2 motif of La-related protein 4 (LARP4) | Descriptor: | IODIDE ION, La-related protein 4, Polyadenylate-binding protein 1, ... | Authors: | Xie, J, Kozlov, G, Gehring, K. | Deposit date: | 2010-11-11 | Release date: | 2011-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | La-Related Protein 4 Binds Poly(A), Interacts with the Poly(A)-Binding Protein MLLE Domain via a Variant PAM2w Motif, and Can Promote mRNA Stability. Mol.Cell.Biol., 31, 2011
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6QXP
| Protein peptide complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat extensin-like protein 2, ... | Authors: | Moussu, S, Caroline, C, Santos-Fernandez, G, Wehrle, S, Grossniklaus, U, Santiago, J. | Deposit date: | 2019-03-07 | Release date: | 2020-03-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.201 Å) | Cite: | Structural basis for recognition of RALF peptides by LRX proteins during pollen tube growth. Proc.Natl.Acad.Sci.USA, 117, 2020
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8TP6
| H2 hemagglutinin (A/Singapore/1/1957) in complex with RBS-targeting Fab 4-1-1E02 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 4-1-1E02 Fab, ... | Authors: | Yang, Y.R, Han, J, Perrett, H.R, Ward, A.B. | Deposit date: | 2023-08-04 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Immune memory shapes human polyclonal antibody responses to H2N2 vaccination. Biorxiv, 2023
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5WMN
| Crystal Structure of HLA-B7 in complex with SPI, an influenza peptide | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | Authors: | Gras, S, Rossjohn, J. | Deposit date: | 2017-07-30 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Inability To Detect Cross-Reactive Memory T Cells Challenges the Frequency of Heterologous Immunity among Common Viruses. J. Immunol., 200, 2018
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2GIV
| Human MYST histone acetyltransferase 1 | Descriptor: | ACETYL COENZYME *A, CHLORIDE ION, Probable histone acetyltransferase MYST1, ... | Authors: | Min, J, Wu, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2006-03-29 | Release date: | 2006-04-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | The Crystal Structure of Human MYST histone acetyltransferase 1 in complex with acetylcoenzyme A To be Published
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7Y8F
| Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30o and GRIP Peptide | Descriptor: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | Authors: | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-23 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer. Eur.J.Med.Chem., 253, 2023
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7Y8G
| Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30a and GRIP Peptide | Descriptor: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | Authors: | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-23 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer. Eur.J.Med.Chem., 253, 2023
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6VYG
| Cryo-EM structure of Plasmodium vivax hexokinase (Closed state) | Descriptor: | Phosphotransferase | Authors: | Srivastava, S.S, Darling, J.E, Suryadi, J, Morris, J.C, Drew, M.E, Subramaniam, S. | Deposit date: | 2020-02-26 | Release date: | 2020-05-06 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Plasmodium vivax and human hexokinases share similar active sites but display distinct quaternary architectures Iucrj, 7, 2020
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8BOX
| LSD1-CoREST in complex with AW4 and SNAG peptide | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-11-15 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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