5L1U
 
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5L3J
 | | ESCHERICHIA COLI DNA GYRASE B IN COMPLEX WITH BENZOTHIAZOLE-BASED INHIBITOR | | Descriptor: | 2-[[2-[[4,5-bis(bromanyl)-1~{H}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid, DNA gyrase subunit B, IODIDE ION | | Authors: | Gjorgjieva, M, Tomasic, T, Barancokova, M, Katsamakas, S, Ilas, J, Montalvao, S, Tammella, P, Peterlin Masic, L, Kikelj, D. | | Deposit date: | 2016-05-23 | | Release date: | 2016-08-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Discovery of Benzothiazole Scaffold-Based DNA Gyrase B Inhibitors.
J.Med.Chem., 59, 2016
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5C4W
 | | Crystal structure of coxsackievirus A16 | | Descriptor: | CHLORIDE ION, POTASSIUM ION, SODIUM ION, ... | | Authors: | Ren, J, Wang, X, Zhu, L, Hu, Z, Gao, Q, Yang, P, Li, X, Wang, J, Shen, X, Fry, E.E, Rao, Z, Stuart, D.I. | | Deposit date: | 2015-06-18 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structures of Coxsackievirus A16 Capsids with Native Antigenicity: Implications for Particle Expansion, Receptor Binding, and Immunogenicity.
J.Virol., 89, 2015
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5XYY
 | | The structure of p38 alpha in complex with a triazol inhibitor | | Descriptor: | 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol, Mitogen-activated protein kinase 14 | | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N. | | Deposit date: | 2017-07-11 | | Release date: | 2018-01-17 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
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5CBH
 | | Structural and Functional Characterization of a Calcium-activated Cation channel from Tsukamurella Paurometabola | | Descriptor: | CALCIUM ION, Ion transport 2 domain protein | | Authors: | Dhakshnamoorthy, B, Rohaim, A, Rui, H, Blachowicz, L, Roux, B. | | Deposit date: | 2015-06-30 | | Release date: | 2016-07-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.37 Å) | | Cite: | Structural and functional characterization of a calcium-activated cation channel from Tsukamurella paurometabola.
Nat Commun, 7, 2016
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5CBT
 | | Human Cyclophilin D Complexed with Inhibitor | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, POTASSIUM ION, ... | | Authors: | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | | Deposit date: | 2015-07-01 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Human Cyclophilin D Complexed with Inhibitor
To Be Published
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1YOE
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5C7I
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1YOW
 | | human Steroidogenic Factor 1 LBD with bound Co-factor Peptide | | Descriptor: | PHOSPHATIDYL ETHANOL, Steroidogenic factor 1, TIF2 peptide | | Authors: | Krylova, I.N, Sablin, E.P, Xu, R.X, Waitt, G.M, Juzumiene, D, Williams, J.D, Ingraham, H.A, Willson, T.M, Williams, S.P, Montana, V, Madauss, K.P, Moore, J, Bynum, J.M, Lebedeva, L, MacKay, J.A, Suzawa, M, Guy, R.K, Thornton, J.W. | | Deposit date: | 2005-01-28 | | Release date: | 2005-05-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1
Cell(Cambridge,Mass.), 120, 2005
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5L8A
 | | Targeting the PEX14-PEX5 interaction by small molecules provides novel therapeutic routes to treat trypanosomiases. | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(phenylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide, GLYCINE, ... | | Authors: | Dawidowski, M, Emmanouilidis, L, Sattler, M, Popowicz, G.M. | | Deposit date: | 2016-06-07 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Inhibitors of PEX14 disrupt protein import into glycosomes and kill Trypanosoma parasites.
Science, 355, 2017
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1YPV
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7QFX
 | | Crystal structure of Old Yellow Enzyme AnOYE8 from Aspergillus niger | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, FLAVIN MONONUCLEOTIDE, NADH-dependent flavin oxidoreductase, ... | | Authors: | Robescu, M.S, Loprete, G, Vascon, F, Gasparotto, M, Filippini, F, Bergantino, E, Cendron, L. | | Deposit date: | 2021-12-06 | | Release date: | 2022-04-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Family Keeps on Growing: Four Novel Fungal OYEs Characterized.
Int J Mol Sci, 23, 2022
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7QYN
 | | Mus musculus acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-01-28 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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5C9A
 | | Crystal structure of empty coxsackievirus A16 particle | | Descriptor: | CHLORIDE ION, POTASSIUM ION, SPHINGOSINE, ... | | Authors: | Ren, J, Wang, X, Zhu, L, Hu, Z, Gao, Q, Yang, P, Li, X, Wang, J, Shen, X, Fry, E.E, Rao, Z, Stuart, D.I. | | Deposit date: | 2015-06-26 | | Release date: | 2015-08-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of Coxsackievirus A16 Capsids with Native Antigenicity: Implications for Particle Expansion, Receptor Binding, and Immunogenicity.
J.Virol., 89, 2015
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1OEX
 | | Atomic Resolution Structure of Endothiapepsin in Complex with a Hydroxyethylene Transition State Analogue Inhibitor H261 | | Descriptor: | ENDOTHIAPEPSIN, GLYCEROL, INHIBITOR H261, ... | | Authors: | Coates, L, Erskine, P.T, Mall, S, Gill, R.S, Wood, S.P, Myles, D.A.A, Cooper, J.B. | | Deposit date: | 2003-03-31 | | Release date: | 2003-04-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Atomic Resolution Analysis of the Catalytic Site of an Aspartic Proteinase and an Unexpected Mode of Binding by Short Peptides
Protein Sci., 12, 2003
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1OEW
 | | ATOMIC RESOLUTION STRUCTURE OF NATIVE ENDOTHIAPEPSIN | | Descriptor: | ENDOTHIAPEPSIN, GLYCEROL, SERINE, ... | | Authors: | Coates, L, Erskine, P.T, Mall, S, Gill, R.S, Wood, S.P, Myles, D.A.A, Cooper, J.B. | | Deposit date: | 2003-03-31 | | Release date: | 2003-04-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Atomic Resolution Analysis of the Catalytic Site of an Aspartic Proteinase and an Unexpected Mode of Binding by Short Peptides
Protein Sci., 12, 2003
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5Y4Z
 | | Crystal structure of the Zika virus NS3 helicase complex with AMPPNP | | Descriptor: | MANGANESE (II) ION, NS3 helicase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Li, L. | | Deposit date: | 2017-08-06 | | Release date: | 2017-08-30 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural view of the helicase reveals that Zika virus uses a conserved mechanism for unwinding RNA
Acta Crystallogr.,Sect.F, 74, 2018
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1YTY
 | | Structural basis for recognition of UUUOH 3'-terminii of nascent RNA pol III transcripts by La autoantigen | | Descriptor: | 5'-R(*UP*GP*CP*UP*GP*UP*UP*UP*U)-3', Lupus La protein | | Authors: | Teplova, M, Yuan, Y.R, Ilin, S, Malinina, L, Phan, A.T, Teplov, A, Patel, D.J. | | Deposit date: | 2005-02-11 | | Release date: | 2006-01-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural Basis for Recognition and Sequestration of UUU(OH) 3' Temini of Nascent RNA Polymerase III Transcripts by La, a Rheumatic Disease Autoantigen.
Mol.Cell, 21, 2006
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1YUD
 | | X-ray Crystal Structure of Protein SO0799 from Shewanella oneidensis. Northeast Structural Genomics Consortium Target SoR12. | | Descriptor: | hypothetical protein SO0799 | | Authors: | Kuzin, A.P, Vorobiev, S, Chen, Y, Forouhar, F, Acton, T, Ma, L.-C, Xiao, R, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2005-02-14 | | Release date: | 2005-03-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of hypothetical protein SO0799 from Shewanella oneidensis
To be Published
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5L1T
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5YKG
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5L9Z
 | | Crystal structure of human heparanase nucleophile mutant (E343Q), in complex with unreacted glucuronic acid configured aziridine probe JJB355 | | Descriptor: | (1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wu, L, Jin, Y, Davies, G.J. | | Deposit date: | 2016-06-13 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
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5YM0
 | | The crystal structure of DHAD | | Descriptor: | Dihydroxy-acid dehydratase, chloroplastic, SULFATE ION | | Authors: | Zang, X, Huang, W.X, Cheng, R, Wu, L, Zhou, J.H, Tang, Y, Yan, Y. | | Deposit date: | 2017-10-20 | | Release date: | 2018-10-24 | | Method: | X-RAY DIFFRACTION (1.842 Å) | | Cite: | The crystal structure of DHAD
To Be Published
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5YAV
 | | Fragment-based Drug Discovery of inhibitors to block PDEdelta-RAS protein-protein interaction | | Descriptor: | 1-phenyl-5-propan-2-ylsulfanyl-1,2,3,4-tetrazole, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | | Authors: | Bing, X, Yanlian, L, Danyan, C. | | Deposit date: | 2017-09-01 | | Release date: | 2018-09-05 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.989 Å) | | Cite: | Fragment-based Drug Discovery of inhibitors to block PDEdelta-RAS protein-protein interaction
To Be Published
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5LAD
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