7OVI
| Protein kinase MKK7 in complex with phenethyltriazole-substituted pyrazolopyrimidine | Descriptor: | 1-[(3~{R})-3-[4-azanyl-3-[1-(2-phenylethyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | Authors: | Kleinboelting, S, Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2021-06-15 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries. J.Med.Chem., 65, 2022
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7OW4
| Crystal structure of HLA-A*11:01 in complex with KRAS G12D peptide (VVVGADGVGK) | Descriptor: | Beta-2-microglobulin, KRAS G12D peptide (VVVGADGVGK), MHC class I antigen, ... | Authors: | Coles, C.H, Karuppiah, V, Robinson, R.A. | Deposit date: | 2021-06-16 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Therapeutic high affinity T cell receptor targeting a KRASG12D cancer neoantigen Nat Commun, 13, 2022
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4UPU
| Crystal structure of IP3 3-K calmodulin binding region in complex with Calmodulin | Descriptor: | CALCIUM ION, CALMODULIN, GLYCEROL, ... | Authors: | Franco-Echevarria, E, Banos-Sanz, J.I, Monterroso, B, Round, A, Sanz-Aparicio, J, Gonzalez, B. | Deposit date: | 2014-06-18 | Release date: | 2014-08-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | A New Calmodulin Binding Motif for Inositol 1,4,5-Trisphosphate 3-Kinase Regulation. Biochem.J., 463, 2014
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7P33
| Epstein-Barr virus encoded Bcl-2 homolog BHRF-1 in complex with Bid BH3 peptide | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, BH3-interacting domain death agonist p15, ... | Authors: | Suraweera, C.D, Hinds, M.G, Kvansakul, M. | Deposit date: | 2021-07-07 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.78542733 Å) | Cite: | Crystal Structures of Epstein-Barr Virus Bcl-2 Homolog BHRF1 Bound to Bid and Puma BH3 Motif Peptides. Viruses, 14, 2022
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1RIM
| E6-binding zinc finger (E6apc2) | Descriptor: | E6apc2 peptide | Authors: | Liu, Y, Liu, Z, Androphy, E, Chen, J, Baleja, J.D. | Deposit date: | 2003-11-17 | Release date: | 2004-08-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Design and characterization of helical peptides that inhibit the E6 protein of papillomavirus. Biochemistry, 43, 2004
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7P42
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7P4B
| HLA-E*01:03 in complex with IL9 | Descriptor: | Beta-2-microglobulin, ESAT-6-like protein EsxH, GLYCEROL, ... | Authors: | Walters, L.C, Gillespie, G.M. | Deposit date: | 2021-07-10 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Primary and secondary functions of HLA-E are determined by stability and conformation of the peptide-bound complexes. Cell Rep, 39, 2022
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2B4R
| Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Plasmodium falciparum at 2.25 Angstrom Resolution reveals intriguing extra electron density in the active site | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Robien, M.A, Bosch, J, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | Deposit date: | 2005-09-26 | Release date: | 2005-10-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Plasmodium falciparum at 2.25 A resolution reveals intriguing extra electron density in the active site Proteins, 62, 2006
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6WJJ
| Anthrax octamer prechannel bound to full-length lethal factor | Descriptor: | CALCIUM ION, Lethal factor, Protective antigen, ... | Authors: | Zhou, K, Hardenbrook, N.J, Liu, S, Cui, Y.X, Krantz, B.A, Zhou, Z.H. | Deposit date: | 2020-04-13 | Release date: | 2020-12-16 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Atomic Structures of Anthrax Prechannel Bound with Full-Length Lethal and Edema Factors. Structure, 28, 2020
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7P4A
| Non-canonical Staphylococcus aureus pathogenicity island repression. | Descriptor: | Sri, Stl | Authors: | Miguel-Romero, L, Alqasmi, M, Bacarizo, J, Tan, J.A, Cogdell, R.J, Chen, J, Byron, O, Christie, G.E, Marina, A, Penades, J.R. | Deposit date: | 2021-07-10 | Release date: | 2022-07-27 | Last modified: | 2022-11-16 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Non-canonical Staphylococcus aureus pathogenicity island repression. Nucleic Acids Res., 50, 2022
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2YP7
| Haemagglutinin of 2005 Human H3N2 Virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Xiong, X, Lin, Y.P, Wharton, S.A, Martin, S.R, Coombs, P.J, Vachieri, S.G, Christodoulou, E, Walker, P.A, Liu, J, Skehel, J.J, Gamblin, S.J, Hay, A.J, Daniels, R.S, McCauley, J.W. | Deposit date: | 2012-10-29 | Release date: | 2012-11-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Evolution of the Receptor Binding Properties of the Influenza A(H3N2) Hemagglutinin. Proc.Natl.Acad.Sci.USA, 109, 2012
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1RL3
| Crystal structure of cAMP-free R1a subunit of PKA | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, GLYCEROL, cAMP-dependent protein kinase type I-alpha regulatory chain | Authors: | Wu, J, Brown, S, Xuong, N.-H, Taylor, S.S. | Deposit date: | 2003-11-24 | Release date: | 2004-07-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | RIalpha subunit of PKA: a cAMP-free structure reveals a hydrophobic capping mechanism for docking cAMP into site B. Structure, 12, 2004
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1R1V
| Crystal structure of the metal-sensing transcriptional repressor CzrA from Staphylococcus aureus in the Zn2-form | Descriptor: | ZINC ION, repressor protein | Authors: | Eicken, C, Pennella, M.A, Chen, X, Koshlap, K.M, VanZile, M.L, Sacchettini, J.C, Giedroc, D.P. | Deposit date: | 2003-09-25 | Release date: | 2004-05-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A metal-ligand-mediated intersubunit allosteric switch in related SmtB/ArsR zinc sensor proteins. J.Mol.Biol., 333, 2003
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7OJF
| CRYO-EM STRUCTURE OF SLYB13-BAMA FROM ESCHERICHIA COLI | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(~{E},3~{R})-3-dodecanoyloxytetradec-5-enoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(~{E},3~{R})-3-oxidanyltetradec-11-enoyl]amino]-4-[(~{E},3~{R})-3-oxidanyltetradec-5-enoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(~{E},3~{R})-3-tetradecanoyloxytetradec-7-enoyl]oxy-oxan-2-yl]methoxy]-4,5-bis(oxidanyl)oxane-2-carboxylic acid, 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, GLYCEROL, ... | Authors: | Nguyen, V.S, Remaut, H. | Deposit date: | 2021-05-14 | Release date: | 2022-07-27 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | SlyB encapsulates outer membrane proteins in stress-induced lipid nanodomains Nature, 2023
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1RMZ
| Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor NNGH at 1.3 A resolution | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ... | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mangani, S, Terni, B. | Deposit date: | 2003-11-28 | Release date: | 2004-12-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Conformational variability of matrix metalloproteinases: beyond a single 3D structure. Proc.Natl.Acad.Sci.Usa, 102, 2005
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1R2I
| Human Bcl-XL containing a Phe to Leu mutation at position 146 | Descriptor: | Apoptosis regulator Bcl-X | Authors: | O'Neill, J.W, Manion, M.K, Giedt, C.D, Kim, K.M, Zhang, K.Y, Hockenbery, D.M. | Deposit date: | 2003-09-26 | Release date: | 2004-02-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Bcl-XL mutations suppress cellular sensitivity to antimycin A. J.Biol.Chem., 279, 2004
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1RPM
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7OZK
| CryoEM structure of human enterovirus 70 in complex with Pleconaril | Descriptor: | 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE, Capsid protein VP1, Capsid protein VP2, ... | Authors: | Fuzik, T, Plevka, P, Moravcova, J. | Deposit date: | 2021-06-28 | Release date: | 2022-07-27 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.31 Å) | Cite: | Structure of Human Enterovirus 70 and Its Inhibition by Capsid-Binding Compounds. J.Virol., 96, 2022
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7OZL
| CryoEM structure of human enterovirus 70 in complex with WIN51711 | Descriptor: | 5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE, Capsid protein VP1, Capsid protein VP2, ... | Authors: | Fuzik, T, Plevka, P, Moravcova, J. | Deposit date: | 2021-06-28 | Release date: | 2022-07-27 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Structure of Human Enterovirus 70 and Its Inhibition by Capsid-Binding Compounds. J.Virol., 96, 2022
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7OJG
| CRYO-EM STRUCTURE OF UNDECAMERIC SLYB FROM ESCHERICHIA COLI K12 | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(~{E},3~{R})-3-dodecanoyloxytetradec-5-enoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(~{E},3~{R})-3-oxidanyltetradec-11-enoyl]amino]-4-[(~{E},3~{R})-3-oxidanyltetradec-5-enoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(~{E},3~{R})-3-tetradecanoyloxytetradec-7-enoyl]oxy-oxan-2-yl]methoxy]-4,5-bis(oxidanyl)oxane-2-carboxylic acid, 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, GLYCEROL, ... | Authors: | Nguyen, V.S, Remaut, H. | Deposit date: | 2021-05-14 | Release date: | 2022-08-03 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | SlyB encapsulates outer membrane proteins in stress-induced lipid nanodomains Nature, 2023
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7P4C
| Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with noncovalent Cyclophellitol Sulfamidate probe KK131 | Descriptor: | (3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol, 1,2-ETHANEDIOL, OXALATE ION, ... | Authors: | Wu, L, Davies, G.J. | Deposit date: | 2021-07-11 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | 1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease. J.Am.Chem.Soc., 144, 2022
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1RRJ
| Structural Mechanisms of Camptothecin Resistance by Mutations in Human Topoisomerase I | Descriptor: | (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID, 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T*GP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', ... | Authors: | Chrencik, J.E, Staker, B.L, Burgin, A.B, Stewart, L, Redinbo, M.R. | Deposit date: | 2003-12-08 | Release date: | 2004-07-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mechanisms of camptothecin resistance by human topoisomerase I mutations J.Mol.Biol., 339, 2004
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7P4D
| Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with covalent Cyclophellitol Sulfamidate probe KK130 | Descriptor: | 1,2-ETHANEDIOL, OXALATE ION, Oligosaccharide 4-alpha-D-glucosyltransferase, ... | Authors: | Wu, L, Davies, G.J. | Deposit date: | 2021-07-11 | Release date: | 2022-07-27 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease. J.Am.Chem.Soc., 144, 2022
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7P4R
| Ultra High Resolution X-ray Structure of Orthorhombic Bovine Pancreatic Ribonuclease at 100K | Descriptor: | ETHANOL, Ribonuclease pancreatic, SULFATE ION | Authors: | Lisgarten, D.R, Palmer, R.A, Cooper, J.B, Naylor, C.E, Howlin, B.J, Lisgarten, J.N, Najmudin, S, Lobley, C.M.C. | Deposit date: | 2021-07-12 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Ultra-high resolution X-ray structure of orthorhombic bovine pancreatic Ribonuclease A at 100K. BMC Chem, 17, 2023
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1R86
| Crystal structure of the extracellular xylanase from Geobacillus stearothermophilus T-6 (XT6, monoclinic form): The E159A/E265A mutant at 1.8A resolution | Descriptor: | CHLORIDE ION, Endo-1,4-beta-xylanase, SULFATE ION, ... | Authors: | Bar, M, Golan, G, Zolotnitsky, G, Shoham, Y, Shoham, G. | Deposit date: | 2003-10-23 | Release date: | 2005-07-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the extracellular xylanase from Geobacillus stearothermophilus T-6 (XT6, monoclinic
form): The E159A/E265A mutant at 1.8A resolution To be Published
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