4X3B
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![BU of 4x3b by Molmil](/molmil-images/mine/4x3b) | A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Roedig, P, Vartiainen, I, Duman, R, Panneerselvam, S, Stuebe, N, Lorbeer, O, Warmer, M, Sutton, G, Stuart, D.I, Weckert, E, David, C, Wagner, A, Meents, A. | Deposit date: | 2014-11-28 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering. Sci Rep, 5, 2015
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4X35
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![BU of 4x35 by Molmil](/molmil-images/mine/4x35) | A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Roedig, P, Vartiainen, I, Duman, R, Panneerselvam, S, Stuebe, N, Lorbeer, O, Warmer, M, Sutton, G, Stuart, D.I, Weckert, E, David, C, Wagner, A, Meents, A. | Deposit date: | 2014-11-27 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering. Sci Rep, 5, 2015
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4WUY
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![BU of 4wuy by Molmil](/molmil-images/mine/4wuy) | Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor | Descriptor: | 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ... | Authors: | Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M. | Deposit date: | 2014-11-04 | Release date: | 2015-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2. J.Biol.Chem., 290, 2015
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7Q2Z
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![BU of 7q2z by Molmil](/molmil-images/mine/7q2z) | |
9C83
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![BU of 9c83 by Molmil](/molmil-images/mine/9c83) | X-ray crystal structure of AmpC beta-lactamase with inhibitor | Descriptor: | AmpC Beta-lactamase, N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide | Authors: | Liu, F, Shoichet, B.K. | Deposit date: | 2024-06-11 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Improved correlations with score, hit-rate, and affinity as docking library and testing scale increase To Be Published
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9C8J
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![BU of 9c8j by Molmil](/molmil-images/mine/9c8j) | |
8FA5
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![BU of 8fa5 by Molmil](/molmil-images/mine/8fa5) | |
9EUO
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![BU of 9euo by Molmil](/molmil-images/mine/9euo) | Outward-open structure of Drosophila dopamine transporter bound to an atypical non-competitive inhibitor | Descriptor: | 9D5 ANTIBODY, HEAVY CHAIN, LIGHT CHAIN, ... | Authors: | Pedersen, C.N, Yang, F, Ita, S, Xu, Y, Akunuri, R, Trampari, S, Neumann, C.M.T, Desdorf, L.M, Schioett, B, Salvino, J.M, Mortensen, O.V, Nissen, P, Shahsavar, A. | Deposit date: | 2024-03-27 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of the dopamine transporter with a novel atypical non-competitive inhibitor bound to the orthosteric site. J.Neurochem., 2024
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9EUP
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![BU of 9eup by Molmil](/molmil-images/mine/9eup) | Inhibitor-free outward-open structure of Drosophila dopamine transporter | Descriptor: | 9D5 ANTIBODY, HEAVY CHAIN, LIGHT CHAIN, ... | Authors: | Pedersen, C.N, Yang, F, Ita, S, Xu, Y, Akunuri, R, Trampari, S, Neumann, C.M.T, Desdorf, L.M, Schioett, B, Salvino, J.M, Mortensen, O.V, Nissen, P, Shahsavar, A. | Deposit date: | 2024-03-27 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structure of the dopamine transporter with a novel atypical non-competitive inhibitor bound to the orthosteric site. J.Neurochem., 2024
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8QVB
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![BU of 8qvb by Molmil](/molmil-images/mine/8qvb) | Crystal structure of chlorite dismutase at 3000 eV based on a combination of spherical harmonics and analytical absorption corrections | Descriptor: | CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ... | Authors: | Duman, R, Wagner, A, Kamps, J, Orville, A. | Deposit date: | 2023-10-17 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions. J.Appl.Crystallogr., 57, 2024
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8QUV
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![BU of 8quv by Molmil](/molmil-images/mine/8quv) | Crystal structure of chlorite dismutase at 3000 eV with no absorption corrections | Descriptor: | CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ... | Authors: | Duman, R, Wagner, A, Kamps, J, Orville, A. | Deposit date: | 2023-10-17 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions. J.Appl.Crystallogr., 57, 2024
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8QUZ
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![BU of 8quz by Molmil](/molmil-images/mine/8quz) | Crystal structure of chlorite dismutase at 3000 eV based on analytical absorption corrections | Descriptor: | CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ... | Authors: | Duman, R, Wagner, A, Kamps, J, Orville, A. | Deposit date: | 2023-10-17 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions. J.Appl.Crystallogr., 57, 2024
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8QUU
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![BU of 8quu by Molmil](/molmil-images/mine/8quu) | Crystal structure of chlorite dismutase at 3000 eV based on spherical harmonics absorption corrections | Descriptor: | CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ... | Authors: | Duman, R, Wagner, A, Kamps, J, Orville, A. | Deposit date: | 2023-10-17 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions. J.Appl.Crystallogr., 57, 2024
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8FU6
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![BU of 8fu6 by Molmil](/molmil-images/mine/8fu6) | GCGR-Gs complex in the presence of RAMP2 | Descriptor: | Glucagon derivative ZP3780, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Krishna Kumar, K, O'Brien, E.S, Wang, H, Montabana, E, Kobilka, B.K. | Deposit date: | 2023-01-16 | Release date: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Negative allosteric modulation of the glucagon receptor by RAMP2. Cell, 186, 2023
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8FP4
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8FQF
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8GIY
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![BU of 8giy by Molmil](/molmil-images/mine/8giy) | E. coli clamp loader with closed clamp | Descriptor: | Beta sliding clamp, DNA polymerase III subunit delta, DNA polymerase III subunit delta', ... | Authors: | Oakley, A.J, Xu, Z.-Q, Dixon, N.E. | Deposit date: | 2023-03-14 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural characterisation of the complete cycle of sliding clamp loading in E. coli To Be Published
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8GIZ
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![BU of 8giz by Molmil](/molmil-images/mine/8giz) | E. coli clamp loader with open clamp | Descriptor: | Beta sliding clamp, DNA polymerase III subunit delta, DNA polymerase III subunit delta', ... | Authors: | Oakley, A.J, Xu, Z.-Q, Dixon, N.E. | Deposit date: | 2023-03-14 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural characterisation of the complete cycle of sliding clamp loading in E. coli To Be Published
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9FVO
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![BU of 9fvo by Molmil](/molmil-images/mine/9fvo) | The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Endothiapepsin, ... | Authors: | Falke, S, Senst, J.M, Guenther, S, Meents, A. | Deposit date: | 2024-06-27 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin To Be Published
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8PJA
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![BU of 8pja by Molmil](/molmil-images/mine/8pja) | FKBP51FK1 F67E/K58 (i, i+9) in complex with SAFit1 | Descriptor: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Charalampidou, A, Hausch, F. | Deposit date: | 2023-06-23 | Release date: | 2024-03-06 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Automated Flow Peptide Synthesis Enables Engineering of Proteins with Stabilized Transient Binding Pockets. Acs Cent.Sci., 10, 2024
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8PJ8
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![BU of 8pj8 by Molmil](/molmil-images/mine/8pj8) | FKBP51FK1 F67E/K60Orn (i, i+7) in complex with SAFit1 | Descriptor: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Charalampidou, A, Hausch, F. | Deposit date: | 2023-06-23 | Release date: | 2024-03-06 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Automated Flow Peptide Synthesis Enables Engineering of Proteins with Stabilized Transient Binding Pockets. Acs Cent.Sci., 10, 2024
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8FQ5
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8FP9
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![BU of 8fp9 by Molmil](/molmil-images/mine/8fp9) | GluA2 flip Q isoform of AMPA receptor in complex with gain-of-function TARP gamma-2, with 10mM CaCl2, 150mM NaCl, 1mM MgCl2, 330uM CTZ, and 100mM glutamate (Open-CaNaMg) | Descriptor: | CALCIUM ION, CHLORIDE ION, Glutamate receptor 2, ... | Authors: | Nakagawa, T. | Deposit date: | 2023-01-04 | Release date: | 2024-02-28 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.44 Å) | Cite: | The open gate of the AMPA receptor forms a Ca 2+ binding site critical in regulating ion transport. Nat.Struct.Mol.Biol., 31, 2024
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8FQB
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![BU of 8fqb by Molmil](/molmil-images/mine/8fqb) | GluA2 flip Q isoform of AMPA receptor in complex with gain-of-function TARP gamma2, with 10mM CaCl2, 140mM NMDG, 330uM CTZ, and 100mM L-glutamate (Open-Ca10) | Descriptor: | CALCIUM ION, CHLORIDE ION, Glutamate receptor 2, ... | Authors: | Nakagawa, T. | Deposit date: | 2023-01-05 | Release date: | 2024-02-28 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.36 Å) | Cite: | The open gate of the AMPA receptor forms a Ca 2+ binding site critical in regulating ion transport. Nat.Struct.Mol.Biol., 31, 2024
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8FQH
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