7NC3
 
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7NCP
 | | Glutathione-S-transferase GliG mutant K127A | | Descriptor: | 1,2-ETHANEDIOL, Glutathione S-transferase GliG, SODIUM ION | | Authors: | Groll, M, Huber, E.M. | | Deposit date: | 2021-01-29 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
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9FFD
 | | STRUCTURE OF ALDO-KETO REDUCTASE 1C3 (AKR1C3) IN COMPLEX WITH AN INHIBITOR MEDS765 | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Aldo-keto reductase family 1 member C3, ... | | Authors: | Frydenvang, K, Hussain, S, Mirza, O.A. | | Deposit date: | 2024-05-23 | | Release date: | 2024-08-21 | | Last modified: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | AI Based Discovery of a New AKR1C3 Inhibitor for Anticancer Applications.
Acs Med.Chem.Lett., 15, 2024
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1VQ0
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9BFB
 | | Crystal structure of BRAF kinase domain with PF-07284890 | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-{2-chloro-3-[(3,5-dimethyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-fluorophenyl}-3-fluoropropane-1-sulfonamide, ... | | Authors: | Mou, T.-C. | | Deposit date: | 2024-04-17 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Identification of the Clinical Candidate PF-07284890 ( ARRY-461 ), a Highly Potent and Brain Penetrant BRAF Inhibitor for the Treatment of Cancer.
J.Med.Chem., 67, 2024
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8YBE
 | | Cryo-EM structure of Maltose Binding Protein | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Yoo, Y, Park, K, Kim, H. | | Deposit date: | 2024-02-13 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Atomic resolution structure of MBP using Cryo-EM
To Be Published
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8T3Y
 | | Structure of Bre1-nucleosome complex - state1 | | Descriptor: | 601 DNA Strand 1, 601 DNA Strand 2, E3 ubiquitin-protein ligase BRE1, ... | | Authors: | Zhao, F, Hicks, C.W, Wolberger, C. | | Deposit date: | 2023-06-08 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Mechanism of histone H2B monoubiquitination by Bre1.
Nat.Struct.Mol.Biol., 30, 2023
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8T3T
 | | Structure of Bre1-nucleosome complex - state3 | | Descriptor: | 601 DNA strand 1, 601 DNA strand 2, E3 ubiquitin-protein ligase BRE1, ... | | Authors: | Zhao, F, Hicks, C.W, Wolberger, C. | | Deposit date: | 2023-06-07 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Mechanism of histone H2B monoubiquitination by Bre1.
Nat.Struct.Mol.Biol., 30, 2023
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1SXU
 | | 1.4 A Crystal Structure of D30N Mutant of Nitrophorin 4 from Rhodnius Prolixus Complexed with Imidazole | | Descriptor: | IMIDAZOLE, Nitrophorin 4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Maes, E.M, Weichsel, A, Andersen, J.F, Shepley, D, Montfort, W.R. | | Deposit date: | 2004-03-31 | | Release date: | 2004-06-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Role of binding site loops in controlling nitric oxide release: structure and kinetics of mutant forms of nitrophorin 4
Biochemistry, 43, 2004
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1WBE
 | | X-ray structure of bovine GLTP | | Descriptor: | DECANOIC ACID, GLYCEROL, GLYCOLIPID TRANSFER PROTEIN | | Authors: | Airenne, T.T, Kidron, H, West, G, Nymalm, Y, Nylund, M, Mattjus, P, Salminen, T.A. | | Deposit date: | 2004-11-01 | | Release date: | 2005-11-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structural Evidence for Adaptive Ligand Binding of Glycolipid Transfer Protein.
J.Mol.Biol., 355, 2006
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3LG2
 | | A Ykr043C/ fructose-1,6-bisphosphate product complex following ligand soaking | | Descriptor: | PHOSPHATE ION, Uncharacterized protein YKR043C | | Authors: | Singer, A, Xu, X, Cui, H, Dong, A, Edwards, A.M, Joachimiak, A, Yakunin, A.F, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-01-19 | | Release date: | 2010-03-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and activity of the metal-independent fructose-1,6-bisphosphatase YK23 from Saccharomyces cerevisiae.
J.Biol.Chem., 285, 2010
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4PUF
 | | Complex between the Salmonella T3SS effector SlrP and its human target thioredoxin-1 | | Descriptor: | E3 ubiquitin-protein ligase SlrP, Thioredoxin | | Authors: | Zouhir, S, Bernal-Bayard, J, Cordero-Alba, M, Cardenal-Munoz, E, Guimaraes, B, Lazar, N, Ramos-Morales, F, Nessler, S. | | Deposit date: | 2014-03-13 | | Release date: | 2014-09-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.296 Å) | | Cite: | The structure of the Slrp-Trx1 complex sheds light on the autoinhibition mechanism of the type III secretion system effectors of the NEL family.
Biochem.J., 464, 2014
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5EKB
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6LJP
 | | Crystal structure of human galectin-16 | | Descriptor: | Galectin-16 | | Authors: | Su, J. | | Deposit date: | 2019-12-17 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity.
Biochim Biophys Acta Gen Subj, 1865, 2020
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6LJQ
 | | human galectin-16 R55N | | Descriptor: | Galectin-16, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Su, J. | | Deposit date: | 2019-12-17 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity.
Biochim Biophys Acta Gen Subj, 1865, 2020
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7NQU
 | | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z396380540 | | Descriptor: | AMP PHOSPHORAMIDATE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | | Deposit date: | 2021-03-02 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands
To Be Published
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7NQZ
 | | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z1827898537 | | Descriptor: | (3S)-N-benzylpyrrolidin-3-amine, AMP PHOSPHORAMIDATE, CHLORIDE ION, ... | | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | | Deposit date: | 2021-03-02 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.319 Å) | | Cite: | Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands
To Be Published
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7NQR
 | | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z287256168 | | Descriptor: | (S)-N-(1-cyclopropylethyl)-6-methylpicolinamide, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, AMP PHOSPHORAMIDATE, ... | | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | | Deposit date: | 2021-03-02 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands
To Be Published
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7NQS
 | | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z1203107138 | | Descriptor: | 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide, AMP PHOSPHORAMIDATE, GLYCEROL, ... | | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | | Deposit date: | 2021-03-02 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands
To Be Published
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6LJR
 | | human galectin-16 R55N/H57R | | Descriptor: | Galectin-16, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Su, J. | | Deposit date: | 2019-12-17 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity.
Biochim Biophys Acta Gen Subj, 1865, 2020
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6VBG
 | | Lactose permease complex with thiodigalactoside and nanobody 9043 | | Descriptor: | Galactoside permease, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose, nanobody 9043, ... | | Authors: | Kumar, H, Stroud, R.M, Kaback, H.R, Finer-Moore, J, Smirnova, I, Kasho, V, Pardon, E, Steyart, J. | | Deposit date: | 2019-12-18 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Diversity in kinetics correlated with structure in nano body-stabilized LacY.
Plos One, 15, 2020
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4LAD
 | | Crystal Structure of the Ube2g2:RING-G2BR complex | | Descriptor: | E3 ubiquitin-protein ligase AMFR, OXALATE ION, Ubiquitin-conjugating enzyme E2 G2, ... | | Authors: | Liang, Y.-H, Li, J, Das, R, Byrd, R.A, Ji, X. | | Deposit date: | 2013-06-19 | | Release date: | 2013-08-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Allosteric regulation of E2:E3 interactions promote a processive ubiquitination machine.
Embo J., 32, 2013
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7ZZR
 | | HDAC2 in complex with inhibitory ligand | | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ... | | Authors: | Cleasby, A, Tisi, D. | | Deposit date: | 2022-05-26 | | Release date: | 2022-09-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.168 Å) | | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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4QF9
 | | Structure of GluK1 ligand-binding domain (S1S2) in complex with (S)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid at 2.28 A resolution | | Descriptor: | (2S)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Kristensen, C.M, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2014-05-20 | | Release date: | 2015-04-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Binding Mode of an alpha-Amino Acid-Linked Quinoxaline-2,3-dione Analogue at Glutamate Receptor Subtype GluK1.
ACS Chem Neurosci, 6, 2015
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2JCO
 | | Crystal structure of wild type alpha-1,3 Galactosyltransferase in the absence of ligands | | Descriptor: | GLYCEROL, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYL TRANSFERASE | | Authors: | Jamaluddin, H, Tumbale, P, Withers, S.G, Acharya, K.R, Brew, K. | | Deposit date: | 2006-12-28 | | Release date: | 2007-06-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Conformational Changes Induced by Binding Udp-2F-Galactose to Alpha-1,3 Galactosyltransferase-Implications for Catalysis.
J.Mol.Biol., 369, 2007
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