5LH4
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![BU of 5lh4 by Molmil](/molmil-images/mine/5lh4) | Trypsin inhibitors for the treatment of pancreatitis - cpd 1 | Descriptor: | (2~{S},4~{S})-1-[4-(aminomethyl)phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-(2,2-diphenylethyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiering, N, D'Arcy, A, Skaanderup, P, Simic, O, Brandl, T, Woelcke, J. | Deposit date: | 2016-07-08 | Release date: | 2018-01-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Trypsin inhibitors for the treatment of pancreatitis. Bioorg. Med. Chem. Lett., 26, 2016
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4ZZB
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![BU of 4zzb by Molmil](/molmil-images/mine/4zzb) | The GLIC pentameric Ligand-Gated Ion Channel Locally-closed form complexed to xenon | Descriptor: | ACETATE ION, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Sauguet, L, Fourati, Z, Prange, T, Delarue, M, Colloc'h, N. | Deposit date: | 2015-05-22 | Release date: | 2016-03-02 | Last modified: | 2018-11-21 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural Basis for Xenon Inhibition in a Cationic Pentameric Ligand-Gated Ion Channel. Plos One, 11, 2016
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3CKU
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![BU of 3cku by Molmil](/molmil-images/mine/3cku) | |
6N1P
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![BU of 6n1p by Molmil](/molmil-images/mine/6n1p) | Dihedral oligomeric complex of GyrA N-terminal fragment with DNA, solved by cryoEM in C2 symmetry | Descriptor: | DNA (44-MER), DNA gyrase subunit A | Authors: | Soczek, K.M, Grant, T, Rosenthal, P.B, Mondragon, A. | Deposit date: | 2018-11-10 | Release date: | 2018-12-05 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (6.35 Å) | Cite: | CryoEM structures of open dimers of Gyrase A in complex with DNA illuminate mechanism of strand passage. Elife, 7, 2018
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6PQ3
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![BU of 6pq3 by Molmil](/molmil-images/mine/6pq3) | Crystal structure of GDP-bound KRAS with ten residues long internal tandem duplication in the switch II region | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Dharmaiah, S, Chan, A.H, Tran, T.H, Simanshu, D.K. | Deposit date: | 2019-07-08 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | RASinternal tandem duplication disrupts GTPase-activating protein (GAP) binding to activate oncogenic signaling. J.Biol.Chem., 295, 2020
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4J38
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![BU of 4j38 by Molmil](/molmil-images/mine/4j38) | Structure of Borrelia burgdorferi Outer surface protein E in complex with Factor H domains 19-20 | Descriptor: | Complement factor H, Outer surface protein E, SULFATE ION | Authors: | Bhattacharjee, A, Kolodziejczyk, R, Kajander, T, Goldman, A, Jokiranta, T.S. | Deposit date: | 2013-02-05 | Release date: | 2013-05-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Structural Basis for Complement Evasion by Lyme Disease Pathogen Borrelia burgdorferi J.Biol.Chem., 288, 2013
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3OBP
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![BU of 3obp by Molmil](/molmil-images/mine/3obp) | Anaerobic complex of urate oxidase with uric acid | Descriptor: | SODIUM ION, URIC ACID, Uricase | Authors: | Gabison, L, Chopard, C, Colloc'h, N, El Hajji, M, Castro, B, Chiadmi, M, Prange, T. | Deposit date: | 2010-08-08 | Release date: | 2011-06-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | X-ray, ESR, and quantum mechanics studies unravel a spin well in the cofactor-less urate oxidase. Proteins, 79, 2011
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5XEZ
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![BU of 5xez by Molmil](/molmil-images/mine/5xez) | Structure of the Full-length glucagon class B G protein-coupled receptor | 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-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, ... | Authors: | Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B. | Deposit date: | 2017-04-06 | Release date: | 2017-05-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the full-length glucagon class B G-protein-coupled receptor. Nature, 546, 2017
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7K9P
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![BU of 7k9p by Molmil](/molmil-images/mine/7k9p) | Room temperature structure of NSP15 Endoribonuclease from SARS CoV-2 solved using SFX. | Descriptor: | CITRIC ACID, Uridylate-specific endoribonuclease | Authors: | Botha, S, Jernigan, R, Chen, J, Coleman, M.A, Frank, M, Grant, T.D, Hansen, D.T, Ketawala, G, Logeswaran, D, Martin-Garcia, J, Nagaratnam, N, Raj, A.L.L.X, Shelby, M, Yang, J.-H, Yung, M.C, Fromme, P. | Deposit date: | 2020-09-29 | Release date: | 2020-10-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Room-temperature structural studies of SARS-CoV-2 protein NendoU with an X-ray free-electron laser. Structure, 2022
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5LH8
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![BU of 5lh8 by Molmil](/molmil-images/mine/5lh8) | Trypsin inhibitors for the treatment of pancreatitis - cpd 8 | Descriptor: | (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-[(1~{S},2~{R})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiering, N, D'Arcy, A, Skaanderup, P, Simic, O, Brandl, T, Woelcke, J. | Deposit date: | 2016-07-08 | Release date: | 2016-08-10 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Trypsin inhibitors for the treatment of pancreatitis. Bioorg.Med.Chem.Lett., 26, 2016
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7P0D
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7P0G
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1N4F
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![BU of 1n4f by Molmil](/molmil-images/mine/1n4f) | Para-Arsanilate Derivative of Hen Egg-White Lysozyme | Descriptor: | 1,2-ETHANEDIOL, 4-AMINOPHENYLARSONIC ACID, Lysozyme C, ... | Authors: | Retailleau, P, Prange, T. | Deposit date: | 2002-10-31 | Release date: | 2003-05-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Phasing power at the K absorption edge of organic arsenic. Acta Crystallogr.,Sect.D, 59, 2003
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7P0C
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3P9F
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![BU of 3p9f by Molmil](/molmil-images/mine/3p9f) | Urate oxidase-azaxanthine-azide ternary complex | Descriptor: | 8-AZAXANTHINE, AZIDE ION, SODIUM ION, ... | Authors: | Gabison, L, Colloc'H, N, El Hajji, M, Castro, B, Chiadmi, M, Prange, T. | Deposit date: | 2010-10-17 | Release date: | 2011-09-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Azide and cyanide have different inhibition modes of urate oxidase To be Published
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5LO9
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![BU of 5lo9 by Molmil](/molmil-images/mine/5lo9) | Thiosulfate dehydrogenase (TsdBA) from Marichromatium purpuratum - "as isolated" form | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome C, ... | Authors: | Brito, J.A, Kurth, J.M, Reuter, J, Flegler, A, Koch, T, Franke, T, Klein, E, Rowe, S, Butt, J.N, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M. | Deposit date: | 2016-08-08 | Release date: | 2016-10-12 | Last modified: | 2017-09-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Electron Accepting Units of the Diheme Cytochrome c TsdA, a Bifunctional Thiosulfate Dehydrogenase/Tetrathionate Reductase. J.Biol.Chem., 291, 2016
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8FAK
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![BU of 8fak by Molmil](/molmil-images/mine/8fak) | DNA replication fork binding triggers structural changes in the PriA DNA helicase that regulate the PriA-PriB replication restart pathway in E. coli | Descriptor: | DNA (5'-D(P*CP*AP*GP*AP*CP*TP*CP*AP*TP*TP*TP*AP*GP*CP*CP*CP*TP*TP*AP*TP*CP*CP*G)-3'), DNA (5'-D(P*CP*GP*GP*AP*TP*AP*AP*GP*GP*GP*CP*TP*GP*AP*GP*CP*AP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(P*TP*CP*GP*GP*CP*GP*TP*GP*CP*TP*C)-3'), ... | Authors: | Duckworth, A.T, Ducos, P.L, McMillan, S.D, Satyshur, K.A, Blumenthal, K.H, Deorio, H.R, Larson, J.A, Sandler, S.J, Grant, T, Keck, J.L. | Deposit date: | 2022-11-28 | Release date: | 2023-05-10 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Replication fork binding triggers structural changes in the PriA helicase that govern DNA replication restart in E. coli. Nat Commun, 14, 2023
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6N1Q
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![BU of 6n1q by Molmil](/molmil-images/mine/6n1q) | Dihedral oligomeric complex of GyrA N-terminal fragment, solved by cryoEM in D2 symmetry | Descriptor: | DNA gyrase subunit A | Authors: | Soczek, K.M, Grant, T, Rosenthal, P.B, Mondragon, A. | Deposit date: | 2018-11-10 | Release date: | 2018-12-05 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (5.16 Å) | Cite: | CryoEM structures of open dimers of Gyrase A in complex with DNA illuminate mechanism of strand passage. Elife, 7, 2018
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5WVM
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![BU of 5wvm by Molmil](/molmil-images/mine/5wvm) | Crystal structure of baeS cocrystallized with 2 mM indole | Descriptor: | Maltose-binding periplasmic protein,Two-component system sensor kinase, SULFATE ION | Authors: | Wang, W, Zhang, Y, Rang, T, Xu, D. | Deposit date: | 2016-12-26 | Release date: | 2018-01-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of the sensor domain of BaeS from Serratia marcescens FS14 Proteins, 85, 2017
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6MBU
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![BU of 6mbu by Molmil](/molmil-images/mine/6mbu) | Crystal structure of wild-type KRAS (1-169) bound to GDP and Mg (Space group P3) | Descriptor: | GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Dharmaiah, S, Tran, T.H, Yan, W, Simanshu, D.K. | Deposit date: | 2018-08-30 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structures of N-terminally processed KRAS provide insight into the role of N-acetylation. Sci Rep, 9, 2019
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3K7R
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![BU of 3k7r by Molmil](/molmil-images/mine/3k7r) | Crystal structure of [TM][CuAtx1]3 | Descriptor: | COPPER (II) ION, D-MALATE, Metal homeostasis factor ATX1, ... | Authors: | Xue, Y, Alvarez, H.M, Robinson, C.D, Mondragon, A, O'Halloran, T.V. | Deposit date: | 2009-10-13 | Release date: | 2009-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Tetrathiomolybdate inhibits copper trafficking proteins through metal cluster formation. Science, 327, 2010
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6N1R
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![BU of 6n1r by Molmil](/molmil-images/mine/6n1r) | Tetrahedral oligomeric complex of GyrA N-terminal fragment, solved by cryoEM in tetrahedral symmetry | Descriptor: | DNA gyrase subunit A | Authors: | Soczek, K.M, Grant, T, Rosenthal, P.B, Mondragon, A. | Deposit date: | 2018-11-10 | Release date: | 2018-12-05 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | CryoEM structures of open dimers of Gyrase A in complex with DNA illuminate mechanism of strand passage. Elife, 7, 2018
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2POS
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![BU of 2pos by Molmil](/molmil-images/mine/2pos) | Crystal Structure of sylvaticin, a new secreted protein from pythium sylvaticum | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, NICKEL (II) ION, ... | Authors: | Lascombe, M.B, Prange, T. | Deposit date: | 2007-04-27 | Release date: | 2008-03-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of sylvaticin, a new alpha-elicitin-like protein from Pythium sylvaticum. Acta Crystallogr.,Sect.D, 63, 2007
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4ZZC
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![BU of 4zzc by Molmil](/molmil-images/mine/4zzc) | The GLIC pentameric Ligand-Gated Ion Channel open form complexed to xenon | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Sauguet, L, Fourati, Z, Prange, T, Delarue, M, Colloc'h, N. | Deposit date: | 2015-05-22 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Basis for Xenon Inhibition in a Cationic Pentameric Ligand-Gated Ion Channel. Plos One, 11, 2016
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3MG5
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![BU of 3mg5 by Molmil](/molmil-images/mine/3mg5) | Core-streptavidin mutant F130L in complex with biotin | Descriptor: | BIOTIN, GLYCEROL, Streptavidin | Authors: | Le Trong, I, Baugh, L, Stayton, P.S, Lybrand, T.P, Stenkamp, R.E. | Deposit date: | 2010-04-05 | Release date: | 2010-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A distal point mutation in the streptavidin-biotin complex preserves structure but diminishes binding affinity: experimental evidence of electronic polarization effects? Biochemistry, 49, 2010
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