6J1U
| influenza virus nucleoprotein with a specific inhibitor | Descriptor: | Nucleoprotein, ~{N}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide | Authors: | Pang, B, Zhang, W.Z, Zhang, H.M, Hao, Q. | Deposit date: | 2018-12-29 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of a Novel Specific Inhibitor Targeting Influenza A Virus Nucleoprotein with Pleiotropic Inhibitory Effects on Various Steps of the Viral Life Cycle. J.Virol., 95, 2021
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6LTJ
| Structure of nucleosome-bound human BAF complex | Descriptor: | AT-rich interactive domain-containing protein 1A, Actin, cytoplasmic 1, ... | Authors: | He, S, Wu, Z, Tian, Y, Yu, Z, Yu, J, Wang, X, Li, J, Liu, B, Xu, Y. | Deposit date: | 2020-01-22 | Release date: | 2020-02-12 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure of nucleosome-bound human BAF complex. Science, 367, 2020
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5D01
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5LQW
| yeast activated spliceosome | Descriptor: | Pre-mRNA leakage protein 1, Pre-mRNA-processing protein 45, Pre-mRNA-splicing factor 8, ... | Authors: | Rauhut, R, Luehrmann, R. | Deposit date: | 2016-08-17 | Release date: | 2016-10-05 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | Molecular architecture of the Saccharomyces cerevisiae activated spliceosome Science, 6306, 2016
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2O5B
| Manganese horse heart myoglobin, reduced | Descriptor: | MANGANESE PROTOPORPHYRIN IX, Myoglobin, SULFATE ION | Authors: | Richter-Addo, G.B, Zahran, Z.N, Chooback, L, Copeland, D.M, West, A.H. | Deposit date: | 2006-12-05 | Release date: | 2007-10-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of manganese- and cobalt-substituted myoglobin in complex with NO and nitrite reveal unusual ligand conformations. J.Inorg.Biochem., 102, 2008
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2O5L
| Manganese horse heart myoglobin, methanol modified | Descriptor: | METHANOL, Myoglobin, PROTOPORPHYRIN IX CONTAINING MN, ... | Authors: | Richter-Addo, G.B, Zahran, Z.N, Chooback, L, Copeland, D.M, West, A.H. | Deposit date: | 2006-12-06 | Release date: | 2007-10-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of manganese- and cobalt-substituted myoglobin in complex with NO and nitrite reveal unusual ligand conformations. J.Inorg.Biochem., 102, 2008
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2O5O
| Manganese horse heart myoglobin, nitrite modified | Descriptor: | Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING MN, ... | Authors: | Richter-Addo, G.B, Zahran, Z.N, Chooback, L, Copeland, D.M, West, A.H. | Deposit date: | 2006-12-06 | Release date: | 2007-10-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of manganese- and cobalt-substituted myoglobin in complex with NO and nitrite reveal unusual ligand conformations. J.Inorg.Biochem., 102, 2008
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2O5T
| Cobalt horse heart myoglobin, oxidized | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING CO, SULFATE ION | Authors: | Richter-Addo, G.B, Zahran, Z.N, Chooback, L, Copeland, D.M, West, A.H. | Deposit date: | 2006-12-06 | Release date: | 2007-10-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of manganese- and cobalt-substituted myoglobin in complex with NO and nitrite reveal unusual ligand conformations. J.Inorg.Biochem., 102, 2008
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7KC7
| Biotin Carboxylase domain of Thermophilic 2-Oxoglutarate Carboxylase bound to ADP without Magnesium with disordered phosphate tail | Descriptor: | 2-oxoglutarate carboxylase small subunit, ADENOSINE-5'-DIPHOSPHATE, PHOSPHATE ION | Authors: | Buhrman, G.K, Rose, R.B, Enriquez, P, Truong, V. | Deposit date: | 2020-10-05 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure, Function, and Thermal Adaptation of the Biotin Carboxylase Domain Dimer from Hydrogenobacter thermophilus 2-Oxoglutarate Carboxylase. Biochemistry, 60, 2021
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7NLD
| Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | Descriptor: | N-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide, Programmed cell death 1 ligand 1 | Authors: | Sala, D, Magiera-Mularz, K, Muszak, D, Surmiak, E, Grudnik, P, Holak, T.A. | Deposit date: | 2021-02-22 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Terphenyl-Based Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction. J.Med.Chem., 64, 2021
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8CRQ
| Local refinement of Band 3-I transmembrane domains, class 1 of erythrocyte ankyrin-1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, CHOLESTEROL, ... | Authors: | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | Deposit date: | 2022-05-11 | Release date: | 2022-07-20 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Architecture of the human erythrocyte ankyrin-1 complex. Nat.Struct.Mol.Biol., 29, 2022
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8CRR
| Local refinement of Band 3-III transmembrane domains, class 1 of erythrocyte ankyrin-1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, CHOLESTEROL, ... | Authors: | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | Deposit date: | 2022-05-11 | Release date: | 2022-07-20 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Architecture of the human erythrocyte ankyrin-1 complex. Nat.Struct.Mol.Biol., 29, 2022
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6HX1
| IRE1 ALPHA IN COMPLEX WITH imidazo[1,2-b]pyridazin-8-amine compound 2 | Descriptor: | 6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine, Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Augustin, M.A, Krapp, S, Bayliss, R, Collins, I. | Deposit date: | 2018-10-15 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease. J.Med.Chem., 62, 2019
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8OHX
| Crystal structure of Beta-glucuronidase from Escherichia coli in complex with siastatin B derived inhibitor | Descriptor: | (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, Beta-D-glucuronidase | Authors: | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2023-03-21 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
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8OHT
| Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with competitive inhibitor derrived from siastatin B | Descriptor: | (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, SULFATE ION, beta-glucuronidase from Acidobacterium capsulatum | Authors: | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2023-03-21 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
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8OHW
| Crystal structure of heparanase from Burkholderia pseudomallei in complex with siastatin B derived inhibitor | Descriptor: | (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, Glycoside hydrolase family 44 domain-containing protein | Authors: | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2023-03-21 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
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1XZ6
| Mutant ABO(H) blood group glycosyltransferase A | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION | Authors: | Lee, H.J, Barry, C.H, Borisova, S.N, Seto, N.O.L, Zheng, R.B, Blancher, A, Evans, S.V, Palcic, M.M. | Deposit date: | 2004-11-11 | Release date: | 2004-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural basis for the inactivity of human blood group O2 glycosyltransferase J.Biol.Chem., 280, 2005
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1K1C
| Solution Structure of Crh, the Bacillus subtilis Catabolite Repression HPr | Descriptor: | catabolite repression HPr-like protein | Authors: | Favier, A, Brutscher, B, Blackledge, M, Galinier, A, Deutscher, J, Penin, F, Marion, D. | Deposit date: | 2001-09-25 | Release date: | 2001-10-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure and dynamics of Crh, the Bacillus subtilis catabolite repression HPr. J.Mol.Biol., 317, 2002
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6V1S
| Structure of the Clostridioides difficile transferase toxin | Descriptor: | ADP-ribosylating binary toxin enzymatic subunit CdtA, ADP-ribosyltransferase binding component, CALCIUM ION | Authors: | Sheedlo, M.J, Anderson, D.M, Thomas, A.K, Lacy, D.B. | Deposit date: | 2019-11-21 | Release date: | 2020-03-18 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural elucidation of theClostridioides difficiletransferase toxin reveals a single-site binding mode for the enzyme. Proc.Natl.Acad.Sci.USA, 117, 2020
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6J3H
| Crystal structure of the glutathione S-transferase, CsGST83044, of Ceriporiopsis subvermispora in complex with glutathione | Descriptor: | GLUTATHIONE, Glutathione S-transferase | Authors: | Osman, W.H.W, Mikami, B, Saka, N, Kondo, K, Nagata, T, Katahira, M. | Deposit date: | 2019-01-04 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Identification of key residues for activities of atypical glutathione S-transferase of Ceriporiopsis subvermispora, a selective degrader of lignin in woody biomass, by crystallography and functional mutagenesis. Int.J.Biol.Macromol., 132, 2019
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2VAI
| Solution structure of a B-DNA hairpin at high pressure | Descriptor: | 5'-D(*AP*GP*GP*AP*TP*CP*CP*TP*UP*TP *TP*GP*GP*AP*TP*CP*CP*T)-3' | Authors: | Williamson, M.P, Wilton, D.J, Ghosh, M, Chary, K.V.A, Akasaka, K. | Deposit date: | 2007-08-31 | Release date: | 2007-09-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural change in a B-DNA helix with hydrostatic pressure. Nucleic Acids Res., 36, 2008
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5H60
| Structure of Transferase mutant-C23S,C199S | Descriptor: | MANGANESE (II) ION, Transferase, URIDINE-5'-DIPHOSPHATE | Authors: | Park, J.B, Yoo, Y, Kim, J. | Deposit date: | 2016-11-10 | Release date: | 2017-12-20 | Last modified: | 2018-10-31 | Method: | X-RAY DIFFRACTION (3.64 Å) | Cite: | Structural basis for arginine glycosylation of host substrates by bacterial effector proteins. Nat Commun, 9, 2018
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8OKX
| Structure of cGAS in complex with SPSB3-ELOBC | Descriptor: | Cyclic GMP-AMP synthase, Elongin-B, Elongin-C, ... | Authors: | Xu, P.B, Ablasser, A. | Deposit date: | 2023-03-29 | Release date: | 2024-02-14 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.51 Å) | Cite: | The CRL5-SPSB3 ubiquitin ligase targets nuclear cGAS for degradation. Nature, 627, 2024
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1JNV
| The Conformation of the Epsilon and Gamma Subunits within the E. coli F1 ATPase | Descriptor: | ATP SYNTHASE ALPHA CHAIN, ATP SYNTHASE BETA CHAIN, ATP SYNTHASE EPSILON CHAIN, ... | Authors: | Hausrath, A.C, Capaldi, R.A, Matthews, B.W. | Deposit date: | 2001-07-25 | Release date: | 2001-12-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (4.4 Å) | Cite: | The conformation of the epsilon- and gamma-subunits within the Escherichia coli F(1) ATPase. J.Biol.Chem., 276, 2001
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7N3U
| Crystal structure of human WEE1 kinase domain in complex with ZN-c3 | Descriptor: | 1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, Wee1-like protein kinase | Authors: | Lee, C.C. | Deposit date: | 2021-06-02 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of ZN-c3, a Highly Potent and Selective Wee1 Inhibitor Undergoing Evaluation in Clinical Trials for the Treatment of Cancer. J.Med.Chem., 64, 2021
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