5XFI
 
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7F8S
 | | Pennisetum glaucum (Pearl millet) dehydroascorbate reductase (DHAR) with catalytic cysteine (Cy20) in sulphenic and sulfinic acid forms. | | Descriptor: | Dehydroascorbate reductase, SULFATE ION | | Authors: | Das, B.K, Kumar, A, Sreeshma, N.S, Arockiasamy, A. | | Deposit date: | 2021-07-02 | | Release date: | 2022-01-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Comparative kinetic analysis of ascorbate (Vitamin-C) recycling dehydroascorbate reductases from plants and humans.
Biochem.Biophys.Res.Commun., 591, 2021
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4LR6
 | | Structure of BRD4 bromodomain 1 with a 3-methyl-4-phenylisoxazol-5-amine fragment | | Descriptor: | 3-methyl-4-phenyl-1,2-oxazol-5-amine, Bromodomain-containing protein 4, FORMIC ACID | | Authors: | Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Ravichandran, S, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | | Deposit date: | 2013-07-19 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
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4Q13
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2IVS
 | | Crystal structure of non-phosphorylated RET tyrosine kinase domain | | Descriptor: | 2',3'- cyclic AMP, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | | Authors: | Knowles, P.P, Murray-Rust, J, McDonald, N.Q. | | Deposit date: | 2006-06-16 | | Release date: | 2006-08-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and Chemical Inhibition of the Ret Tyrosine Kinase Domain.
J.Biol.Chem., 281, 2006
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4PXM
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5EVO
 | | Structure of Dehydroascrobate Reductase from Pennisetum Americanum in complex with two non-native ligands, Acetate in the G-site and Glycerol in the H-site | | Descriptor: | ACETATE ION, Dehydroascorbate reductase, GLYCEROL | | Authors: | Kumar, A.O, Das, B.K, Arockiasamy, A. | | Deposit date: | 2015-11-20 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Non-native ligands define the active site of Pennisetum glaucum (L.) R. Br dehydroascorbate reductase.
Biochem.Biophys.Res.Commun., 473, 2016
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4HR9
 | | Human interleukin 17A | | Descriptor: | Interleukin-17A | | Authors: | Liu, S. | | Deposit date: | 2012-10-26 | | Release date: | 2013-05-22 | | Last modified: | 2013-06-19 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Crystal structures of interleukin 17A and its complex with IL-17 receptor A.
Nat Commun, 4, 2013
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2NPW
 | | Solution Structures of a DNA Dodecamer Duplex with a Cisplatin 1,2-d(GG) Intrastrand Cross-Link | | Descriptor: | 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3', Cisplatin | | Authors: | Wu, Y, Bhattacharyya, D, Chaney, S, Campbell, S. | | Deposit date: | 2006-10-30 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link
Biochemistry, 46, 2007
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2NQ1
 | | Solution Structures of a DNA Dodecamer Duplex | | Descriptor: | 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3' | | Authors: | Bhattacharyya, D, Wu, Y, Chaney, S, Campbell, S. | | Deposit date: | 2006-10-30 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link
Biochemistry, 46, 2007
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4BMM
 | | Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2',3, 5'-trifluoro-(1,1'-biphenyl)-4-carboxamide | | Descriptor: | 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | | Authors: | Choi, J.Y, Calvet, C.M, Gunatilleke, S.S, Roush, W.R, McKerrow, J.H, Podust, L.M. | | Deposit date: | 2013-05-09 | | Release date: | 2014-06-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | 4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
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4HSA
 | | Structure of interleukin 17a in complex with il17ra receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, ... | | Authors: | Liu, S. | | Deposit date: | 2012-10-29 | | Release date: | 2013-05-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Crystal structures of interleukin 17A and its complex with IL-17 receptor A.
Nat Commun, 4, 2013
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2NQ4
 | | Solution Structures of a DNA Dodecamer Duplex | | Descriptor: | 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3' | | Authors: | Bhattacharyya, D, Wu, Y, Chaney, S, Campbell, S. | | Deposit date: | 2006-10-30 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link
Biochemistry, 46, 2007
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2NQ0
 | | Solution Structures of a DNA Dodecamer Duplex with a Cisplatin 1,2-d(GG) Intrastrand Cross-Link | | Descriptor: | 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3', Cisplatin | | Authors: | Wu, Y, Bhattacharyya, D, Chaney, S, Campbell, S. | | Deposit date: | 2006-10-30 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link
Biochemistry, 46, 2007
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4R5X
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7XJX
 | | The cryo-EM structure of Fe3+ induced alpha-syn fibril. | | Descriptor: | Alpha-synuclein | | Authors: | Zhao, Q.Y, Tao, Y.Q, Zhao, K, Tao, Y.Q, Li, D. | | Deposit date: | 2022-04-18 | | Release date: | 2023-01-18 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural Insights of Fe3+ Induced alpha-synuclein Fibrillation in Parkinson' Disease
J.Mol.Biol., 435, 2023
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2IVV
 | | Crystal structure of phosphorylated RET tyrosine kinase domain complexed with the inhibitor PP1 | | Descriptor: | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET PRECURSOR | | Authors: | Knowles, P.P, Murray-Rust, J, McDonald, N.Q. | | Deposit date: | 2006-06-16 | | Release date: | 2006-08-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure and chemical inhibition of the RET tyrosine kinase domain.
J. Biol. Chem., 281, 2006
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2IVU
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3FBR
 | | structure of HipA-amppnp-peptide | | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Serine/threonine-protein kinase toxin HipA, peptide of EF-Tu | | Authors: | Schumacher, M.A. | | Deposit date: | 2008-11-19 | | Release date: | 2009-02-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Molecular mechanisms of HipA-mediated multidrug tolerance and its neutralization by HipB.
Science, 323, 2009
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2IVT
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5GVP
 | | Plasmodium vivax SHMT bound with PLP-glycine and GS654 | | Descriptor: | 3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | | Deposit date: | 2016-09-06 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
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2GTU
 | | LIGAND-FREE HUMAN GLUTATHIONE S-TRANSFERASE M2-2 (E.C.2.5.1.18), MONOCLINIC CRYSTAL FORM | | Descriptor: | GLUTATHIONE S-TRANSFERASE | | Authors: | Patskovska, L.N, Fedorov, A.A, Patskovsky, Y.V, Almo, S.C, Listowsky, I. | | Deposit date: | 1998-05-26 | | Release date: | 1999-03-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The enhanced affinity for thiolate anion and activation of enzyme-bound glutathione is governed by an arginine residue of human Mu class glutathione S-transferases.
J.Biol.Chem., 275, 2000
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5FR6
 | | The structure of polycomb ULD complex | | Descriptor: | POLYCOMB COMPLEX PROTEIN BMI-1 | | Authors: | Gray, F, Cho, H.J, Cierpicki, T. | | Deposit date: | 2015-12-15 | | Release date: | 2016-11-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Bmi1 Regulates Prc1 Architecture and Activity Through Homo-and Hetero-Oligomerization
Nat.Commun., 7, 2016
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3DNV
 | | MDT Protein | | Descriptor: | DNA (5'-D(*DAP*DCP*DTP*DAP*DTP*DCP*DCP*DCP*DCP*DTP*DTP*DAP*DAP*DGP*DGP*DGP*DGP*DAP*DTP*DAP*DG)-3'), HTH-type transcriptional regulator hipB, Protein hipA, ... | | Authors: | schumacher, M.A. | | Deposit date: | 2008-07-02 | | Release date: | 2009-01-27 | | Last modified: | 2023-04-05 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Molecular mechanisms of HipA-mediated multidrug tolerance and its neutralization by HipB.
Science, 323, 2009
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8JUE
 | | Crystal structure of glutaminase C in complex with compound 11 | | Descriptor: | 2-(3-phenoxyphenyl)-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial | | Authors: | Wang, X, Hanyu, S, Tingting, D. | | Deposit date: | 2023-06-26 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Targeting the Subpocket Enables the Discovery of Thiadiazole-Pyridazine Derivatives as Glutaminase C Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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