7OXN
 
 | | Crystal Structure of TAP01 in complex with cyclised amyloid beta peptide | | Descriptor: | 1,2-ETHANEDIOL, Amyloid-beta precursor protein, TAP01 family antibody heavy chain, ... | | Authors: | Hall, G, Cowan, R, Carr, M.D. | | Deposit date: | 2021-06-22 | | Release date: | 2022-06-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of a novel pseudo beta-hairpin structure of N-truncated amyloid-beta for use as a vaccine against Alzheimer's disease.
Mol Psychiatry, 27, 2022
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7OT4
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7OW1
 | | Crystal Structure of TAP01 in complex with amyloid beta peptide | | Descriptor: | Amyloid-beta precursor protein, CITRATE ANION, TAP01 family antibody heavy chain, ... | | Authors: | Hall, G, Cowan, R, Carr, M.D. | | Deposit date: | 2021-06-16 | | Release date: | 2022-06-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery of a novel pseudo beta-hairpin structure of N-truncated amyloid-beta for use as a vaccine against Alzheimer's disease.
Mol Psychiatry, 27, 2022
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3KXN
 | | Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor tetraiodobenzimidazole (K88) | | Descriptor: | 4,5,6,7-tetraiodo-1H-benzimidazole, Casein kinase II subunit alpha | | Authors: | Papinutto, E, Franchin, C, Battistutta, R. | | Deposit date: | 2009-12-03 | | Release date: | 2010-11-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
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3KOA
 | | M296I mutant of foot-and-mouth disease virus RNA-polymerase in complex with a template- primer RNA and GTP | | Descriptor: | 3D polymerase, DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ferrer-Orta, C, Verdaguer, N, Perez-Luque, R. | | Deposit date: | 2009-11-13 | | Release date: | 2010-07-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of foot-and-mouth disease virus mutant polymerases with reduced sensitivity to ribavirin
J.Virol., 84, 2010
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4DVD
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8G62
 | | Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004 | | Descriptor: | 3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide, ACETATE ION, CHLORIDE ION, ... | | Authors: | Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Luci, D, Kales, S, Simeonov, A, Rai, G, Drayman, N, Tay, S, Oakes, S, Rosner, M, Chen, B, Dulin, N, Solway, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2023-02-14 | | Release date: | 2023-02-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004
To Be Published
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8TW0
 | | Crystal Structure of a synthetic ABC heterotrimeric Collagen-like Peptide at 1.53 A | | Descriptor: | Collagen Mimetic Peptide A, Collagen Mimetic Peptide B, Collagen Mimetic Peptide C, ... | | Authors: | Miller, M.D, Cole, C.C, Xu, W, Walker, D.R, Hulgan, S.A.H, Pogostin, B.H, Swain, J.W.R, Duella, R, Misiura, M, Wang, X, Kolomeisky, A.B, Phillips Jr, G.N, Hartgerink, J.D. | | Deposit date: | 2023-08-18 | | Release date: | 2024-05-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Heterotrimeric collagen helix with high specificity of assembly results in a rapid rate of folding.
Nat.Chem., 16, 2024
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7OPK
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8TLQ
 | | Cryo-EM structure of the Rev1-Polzeta-DNA-dCTP complex | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (30-MER), ... | | Authors: | Malik, R, Aggarwal, A.K. | | Deposit date: | 2023-07-27 | | Release date: | 2024-05-15 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | Cryo-EM structure of the Rev1-Pol zeta holocomplex reveals the mechanism of their cooperativity in translesion DNA synthesis.
Nat.Struct.Mol.Biol., 31, 2024
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8TLT
 | | Cryo-EM structure of Rev1(deltaN)-Polzeta-DNA-dCTP complex | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*TP*AP*AP*TP*GP*GP*TP*AP*GP*GP*GP*GP*AP*GP*GP*GP*AP*AP*T)-3'), ... | | Authors: | Malik, R, Aggarwal, A.K. | | Deposit date: | 2023-07-27 | | Release date: | 2024-05-15 | | Last modified: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Cryo-EM structure of the Rev1-Pol zeta holocomplex reveals the mechanism of their cooperativity in translesion DNA synthesis.
Nat.Struct.Mol.Biol., 31, 2024
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3T62
 | | Crystal structure of recombinant Kunitz Type serine protease Inhibitor-1 from the Caribbean Sea anemone Stichodactyla helianthus in complex with bovine chymotrypsin | | Descriptor: | Chymotrypsinogen A, Kunitz-type proteinase inhibitor SHPI-1, SULFATE ION | | Authors: | Garcia-Fernandez, R, Dominguez, R, Oberthuer, D, Pons, T, Gonzalez-Gonzalez, Y, Chavez, M.A, Betzel, C, Redecke, L. | | Deposit date: | 2011-07-28 | | Release date: | 2012-08-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insights into chymotrypsin inhibition by the Kunitz-type inhibitor-1 from the marine invertebrate Stichodactyla helianthus
To be Published
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8GOD
 | | Co-crystal structure of Human Protein-arginine deiminase type-4 (PAD4) with small molecule inhibitor JBI-589 | | Descriptor: | Protein-arginine deiminase type-4, [(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone | | Authors: | Swaminathan, S, Birudukota, S, Vaithilingam, K, Kandan, S, Asaithambi, K, Kathiresan, N, Gosu, R, Rajagopal, S, Sadhu, N. | | Deposit date: | 2022-08-24 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Alleviation of arthritis through prevention of neutrophil extracellular traps by an orally available inhibitor of protein arginine deiminase 4.
Sci Rep, 13, 2023
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3KNA
 | | M296I mutant of foot-and-mouth disease virus RNA-polymerase in complex with a template- primer RNA | | Descriptor: | 3D polymerase, MAGNESIUM ION, RNA (5'-R(*AP*UP*GP*GP*GP*CP*C)-3'), ... | | Authors: | Ferrer-Orta, C, Verdaguer, N, Perez-Luque, R. | | Deposit date: | 2009-11-12 | | Release date: | 2010-07-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of foot-and-mouth disease virus mutant polymerases with reduced sensitivity to ribavirin
J.Virol., 84, 2010
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3TFO
 | | Crystal structure of a putative 3-oxoacyl-(acyl-carrier-protein) reductase from Sinorhizobium meliloti | | Descriptor: | HEXANE-1,6-DIOL, SULFATE ION, putative 3-oxoacyl-(acyl-carrier-protein) reductase | | Authors: | Agarwal, R, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-08-16 | | Release date: | 2011-08-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Crystal structure of a putative 3-oxoacyl-(acyl-carrier-protein) reductase from Sinorhizobium meliloti
To be Published
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8G2G
 | | Crystal structure of PRMT3 with compound YD1113 | | Descriptor: | 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3, SULFATE ION | | Authors: | Song, X, Dong, A, Arrowsmith, C.H, Edwards, A.M, Deng, Y, Huang, R, Min, J. | | Deposit date: | 2023-02-03 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
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8GHX
 | | Crystal Structure of CelD Cellulase from the Anaerobic Fungus Piromyces finnis | | Descriptor: | 1,2-ETHANEDIOL, Cellulase CelD | | Authors: | Dementieve, A, Kim, Y, Jedrzejczak, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2023-03-13 | | Release date: | 2023-05-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structure and enzymatic characterization of CelD endoglucanase from the anaerobic fungus Piromyces finnis.
Appl.Microbiol.Biotechnol., 107, 2023
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7P0K
 | | Crystal structure of Autotaxin (ENPP2) with 18F-labeled positron emission tomography ligand | | Descriptor: | 2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Salgado-Polo, F, Shao, T, Xiao, Z, Van, R, Chen, J, Rong, J, Haider, A, Shao, Y, Josephson, L, Perrakis, A, Liang, S.H. | | Deposit date: | 2021-06-29 | | Release date: | 2022-07-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Imaging Autotaxin In Vivo with 18 F-Labeled Positron Emission Tomography Ligands
J Med Chem, 64, 2021
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8GHY
 | | Crystal Structure of the E154D mutant CelD Cellulase from the Anaerobic Fungus Piromyces finnis in the complex with cellotriose. | | Descriptor: | Cellulase CelD, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Dementieve, A, Kim, Y, Jedrzejczak, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2023-03-13 | | Release date: | 2023-05-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and enzymatic characterization of CelD endoglucanase from the anaerobic fungus Piromyces finnis.
Appl.Microbiol.Biotechnol., 107, 2023
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8GM5
 | | Functional construct of the Eukaryotic elongation factor 2 kinase bound to Calmodulin, ADP and to the A-484954 inhibitor and showing two conformations for the 498-520 loop | | Descriptor: | 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | | Authors: | Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R. | | Deposit date: | 2023-03-24 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structure of the complex between calmodulin and a functional construct of eukaryotic elongation factor 2 kinase bound to an ATP-competitive inhibitor.
J.Biol.Chem., 299, 2023
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8G4G
 | | Crystal Engineering with One 8-mer DNA | | Descriptor: | DNA (5'-D(*AP*TP*CP*GP*G)-3'), DNA (5'-D(*AP*TP*CP*GP*GP*CP*CP*G)-3'), DNA (5'-D(P*CP*CP*G)-3') | | Authors: | Zhao, J, Zhang, C, Lu, B, Seeman, N.C, Noinaj, N, Sha, R, Mao, C. | | Deposit date: | 2023-02-09 | | Release date: | 2023-05-10 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Divergence and Convergence: Complexity Emerges in Crystal Engineering from an 8-mer DNA.
J.Am.Chem.Soc., 145, 2023
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5MX3
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8U72
 | | Cryo-EM structure of the SPARTA oligomer with guide RNA and target DNA | | Descriptor: | DNA (5'-D(P*TP*AP*TP*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*C)-3'), MAGNESIUM ION, Piwi domain-containing protein, ... | | Authors: | Malik, R, Kottur, J, Aggarwal, A.K. | | Deposit date: | 2023-09-14 | | Release date: | 2024-06-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Nucleic acid mediated activation of a short prokaryotic Argonaute immune system.
Nat Commun, 15, 2024
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7P5U
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4LNS
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