6HYW
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![BU of 6hyw by Molmil](/molmil-images/mine/6hyw) | THE GLIC PENTAMERIC LIGAND-GATED ION CHANNEL MUTANT Y119F | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2018-10-22 | Release date: | 2018-12-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Electrostatics, proton sensor, and networks governing the gating transition in GLIC, a proton-gated pentameric ion channel. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5YU1
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![BU of 5yu1 by Molmil](/molmil-images/mine/5yu1) | Structural basis for recognition of L-lysine, L-ornithine, and L-2,4-diamino butyric acid by lysine cyclodeaminase | Descriptor: | (2S)-piperidine-2-carboxylic acid, Lysine cyclodeaminase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Min, K.J, Yoon, H.J, Matsuura, A, Kim, Y.H, Lee, H.H. | Deposit date: | 2017-11-20 | Release date: | 2018-05-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.923 Å) | Cite: | Structural Basis for Recognition of L-lysine, L-ornithine, and L-2,4-diamino Butyric Acid by Lysine Cyclodeaminase. Mol. Cells, 41, 2018
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5NEQ
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![BU of 5neq by Molmil](/molmil-images/mine/5neq) | The structure of the G. violaceus guanidine II riboswitch P1 stem-loop with aminoguanidine | Descriptor: | AMINOGUANIDINE, RNA (5'-R(*GP*GP*UP*GP*GP*GP*GP*AP*CP*GP*AP*CP*CP*CP*CP*AP*(CBV)P*C)-3'), SODIUM ION, ... | Authors: | Huang, L, Wang, J, Lilley, D.M.J. | Deposit date: | 2017-03-11 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | The Structure of the Guanidine-II Riboswitch. Cell Chem Biol, 24, 2017
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5IY5
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![BU of 5iy5 by Molmil](/molmil-images/mine/5iy5) | Electron transfer complex of cytochrome c and cytochrome c oxidase at 2.0 angstrom resolution | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, S, Baba, J, Aoe, S, Shimada, A, Yamashita, E, Tsukihara, T. | Deposit date: | 2016-03-24 | Release date: | 2017-01-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Complex structure of cytochrome c-cytochrome c oxidase reveals a novel protein-protein interaction mode EMBO J., 36, 2017
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5EEL
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![BU of 5eel by Molmil](/molmil-images/mine/5eel) | Grb7 SH2 with bicyclic peptide inhibitor | Descriptor: | Bicyclic Peptide Inhibitor, FORMIC ACID, Growth factor receptor-bound protein 7, ... | Authors: | Watson, G.M, Gunzburg, M.J, Wilce, M.C.J, Wilce, J.A. | Deposit date: | 2015-10-23 | Release date: | 2016-06-15 | Last modified: | 2018-12-26 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Unexpected involvement of staple leads to redesign of selective bicyclic peptide inhibitor of Grb7. Sci Rep, 6, 2016
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5MOZ
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![BU of 5moz by Molmil](/molmil-images/mine/5moz) | OXA-10 Avibactam complex with bound Iodide | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, CHLORIDE ION, ... | Authors: | Brem, J. | Deposit date: | 2016-12-15 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions. Org. Biomol. Chem., 15, 2017
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7U4G
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![BU of 7u4g by Molmil](/molmil-images/mine/7u4g) | Neuraminidase from influenza virus A/Shandong/9/1993(H3N2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ... | Authors: | Lei, R, Hernandez Garcia, A. | Deposit date: | 2022-02-28 | Release date: | 2022-10-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Prevalence and mechanisms of evolutionary contingency in human influenza H3N2 neuraminidase. Nat Commun, 13, 2022
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5EMG
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![BU of 5emg by Molmil](/molmil-images/mine/5emg) | Crystal structures of PNA p(GCTGCTGC)2 duplex containing T-T mismatches | Descriptor: | CHLORIDE ION, GPN-CPN-TPN-GPN-CPN-TPN-GPN-CPN, SODIUM ION | Authors: | Kiliszek, A, Banaszak, K, Dauter, Z, Rypniewski, W. | Deposit date: | 2015-11-06 | Release date: | 2016-01-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | The first crystal structures of RNA-PNA duplexes and a PNA-PNA duplex containing mismatches-toward anti-sense therapy against TREDs. Nucleic Acids Res., 44, 2016
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6HWS
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![BU of 6hws by Molmil](/molmil-images/mine/6hws) | Keap1 - inhibitor complex | Descriptor: | 1,2-ETHANEDIOL, 2-[[4-[2-hydroxy-2-oxoethyl-(4-methoxyphenyl)sulfonyl-amino]-3-phenylmethoxy-phenyl]-(4-methoxyphenyl)sulfonyl-amino]ethanoic acid, Kelch-like ECH-associated protein 1, ... | Authors: | Talapatra, S.K, Kozielski, F, Wells, G, Georgakopoulos, N.D. | Deposit date: | 2018-10-13 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Keap1-inhibitor complex To Be Published
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5Y3E
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![BU of 5y3e by Molmil](/molmil-images/mine/5y3e) | |
6F0N
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![BU of 6f0n by Molmil](/molmil-images/mine/6f0n) | GLIC mutant E82A | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2017-11-20 | Release date: | 2018-01-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel. PLoS Biol., 15, 2017
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6BFK
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![BU of 6bfk by Molmil](/molmil-images/mine/6bfk) | Caspase-3 Mutant- T245A | Descriptor: | AC-ASP-GLU-VAL-ASP-CMK, Caspase-3, SODIUM ION | Authors: | Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. | Deposit date: | 2017-10-26 | Release date: | 2018-02-21 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (1.753 Å) | Cite: | Modifications to a common phosphorylation network provide individualized control in caspases. J. Biol. Chem., 293, 2018
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4IQZ
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![BU of 4iqz by Molmil](/molmil-images/mine/4iqz) | The crystal structure of a large insert in RNA polymerase (RpoC) subunit from E. coli | Descriptor: | DNA-directed RNA polymerase subunit beta', IODIDE ION, SODIUM ION | Authors: | Bhandari, V, Sugiman-Marangos, S.N, Naushad, H.S, Gupta, R.S, Junop, M.S. | Deposit date: | 2013-01-14 | Release date: | 2013-02-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of a large insert in RNA polymerase (RpoC) subunit from E. coli To be Published
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5N84
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![BU of 5n84 by Molmil](/molmil-images/mine/5n84) | TTK kinase domain in complex with Mps-BAY2b | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, Dual specificity protein kinase TTK, SODIUM ION, ... | Authors: | Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R. | Deposit date: | 2017-02-22 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J. Mol. Biol., 429, 2017
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5OR7
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![BU of 5or7 by Molmil](/molmil-images/mine/5or7) | |
5T77
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![BU of 5t77 by Molmil](/molmil-images/mine/5t77) | Crystal structure of the MOP flippase MurJ | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, ... | Authors: | Kuk, A.C.Y, Lee, S.-Y. | Deposit date: | 2016-09-02 | Release date: | 2016-12-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the MOP flippase MurJ in an inward-facing conformation. Nat. Struct. Mol. Biol., 24, 2017
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6F0M
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![BU of 6f0m by Molmil](/molmil-images/mine/6f0m) | GLIC mutant E35Q | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2017-11-20 | Release date: | 2018-01-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel. PLoS Biol., 15, 2017
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2P66
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![BU of 2p66 by Molmil](/molmil-images/mine/2p66) | Human DNA Polymerase beta complexed with tetrahydrofuran (abasic site) containing DNA | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), DNA (5'-D(P*(3DR)P*GP*TP*CP*GP*G)-3'), ... | Authors: | Prasad, R, Batra, V.K, Yang, X.-P, Krahn, J.M, Pedersen, L.C, Beard, W.A, Wilson, S.H. | Deposit date: | 2007-03-16 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insight into the DNA Polymerase beta deoxyribose phosphate lyase mechanism DNA REPAIR, 4, 2005
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2P76
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![BU of 2p76 by Molmil](/molmil-images/mine/2p76) | Crystal structure of a Glycerophosphodiester Phosphodiesterase from Staphylococcus aureus | Descriptor: | GLYCEROL, Glycerophosphoryl diester phosphodiesterase, SODIUM ION | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-03-20 | Release date: | 2007-04-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of a Glycerophosphodiester Phosphodiesterase from Staphylococcus aureus To be Published
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6F10
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![BU of 6f10 by Molmil](/molmil-images/mine/6f10) | GLIC mutant D88N | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2017-11-21 | Release date: | 2018-01-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel. PLoS Biol., 15, 2017
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5TB9
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![BU of 5tb9 by Molmil](/molmil-images/mine/5tb9) | |
6AMH
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![BU of 6amh by Molmil](/molmil-images/mine/6amh) | |
6F0U
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![BU of 6f0u by Molmil](/molmil-images/mine/6f0u) | GLIC mutant E35A | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2017-11-20 | Release date: | 2018-01-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel. PLoS Biol., 15, 2017
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5TEJ
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![BU of 5tej by Molmil](/molmil-images/mine/5tej) | Structure of 4-Hydroxy-tetrahydrodipicolinate Reductase from Vibrio vulnificus with 2,5 Furan Dicarboxylic and NADH | Descriptor: | 2,5 Furan Dicarboxylic Acid, 4-hydroxy-tetrahydrodipicolinate reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Mank, N, Arnette, K, Klapper, V, Chruszcz, M. | Deposit date: | 2016-09-21 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Comparative structural and mechanistic studies of 4-hydroxy-tetrahydrodipicolinate reductases from Mycobacterium tuberculosis and Vibrio vulnificus. Biochim Biophys Acta Gen Subj, 1865, 2021
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5TBB
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![BU of 5tbb by Molmil](/molmil-images/mine/5tbb) | |