7L3E
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![BU of 7l3e by Molmil](/molmil-images/mine/7l3e) | T4 Lysozyme L99A - 3-iodotoluene - cryo | Descriptor: | 1-iodo-3-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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2R9N
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![BU of 2r9n by Molmil](/molmil-images/mine/2r9n) | Cathepsin S complexed with Compound 26 | Descriptor: | Cathepsin S, N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | Deposit date: | 2007-09-13 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation to be published
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5VSV
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![BU of 5vsv by Molmil](/molmil-images/mine/5vsv) | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and P225 | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, {2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenoxy}acetic acid | Authors: | Maltseva, N, Kim, Y, Mulligan, R, Makowska-Grzyska, M, Gu, M, Gollapalli, D.R, Hedstrom, L, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-05-12 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.205 Å) | Cite: | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from
Clostridium perfringens
Complexed with IMP and P225 To Be Published
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5VI7
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![BU of 5vi7 by Molmil](/molmil-images/mine/5vi7) | |
7L3K
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![BU of 7l3k by Molmil](/molmil-images/mine/7l3k) | T4 Lysozyme L99A - benzylacetate - cryo | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7L3C
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![BU of 7l3c by Molmil](/molmil-images/mine/7l3c) | T4 Lysozyme L99A - o-xylene - RT | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7QIO
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![BU of 7qio by Molmil](/molmil-images/mine/7qio) | Homology model of myosin neck domain in skeletal sarcomere | Descriptor: | Myosin light chain 1/3, skeletal muscle isoform, Myosin regulatory light chain 2, ... | Authors: | Wang, Z, Grange, M, Pospich, S, Wagner, T, Kho, A.L, Gautel, M, Raunser, S. | Deposit date: | 2021-12-15 | Release date: | 2022-02-16 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | Structures from intact myofibrils reveal mechanism of thin filament regulation through nebulin. Science, 375, 2022
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7L3D
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![BU of 7l3d by Molmil](/molmil-images/mine/7l3d) | T4 Lysozyme L99A - 3-iodotoluene - RT | Descriptor: | 1-iodo-3-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7L3I
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![BU of 7l3i by Molmil](/molmil-images/mine/7l3i) | T4 Lysozyme L99A - propylbenzene - RT | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Endolysin, ... | Authors: | Fischer, M, Bradford, S.Y.C. | Deposit date: | 2020-12-17 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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5N6P
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![BU of 5n6p by Molmil](/molmil-images/mine/5n6p) | AMPA receptor NTD mutant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2 | Authors: | Rossmann, M, Krieger, J.M. | Deposit date: | 2017-02-15 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Allosteric communication pathways in glutamate receptor N-terminal domains To Be Published
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7QIN
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![BU of 7qin by Molmil](/molmil-images/mine/7qin) | In situ structure of actomyosin complex in skeletal sarcomere | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Wang, Z, Grange, M, Pospich, S, Wagner, T, Kho, A.L, Gautel, M, Raunser, S. | Deposit date: | 2021-12-15 | Release date: | 2022-02-16 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (6.6 Å) | Cite: | Structures from intact myofibrils reveal mechanism of thin filament regulation through nebulin. Science, 375, 2022
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7BRV
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![BU of 7brv by Molmil](/molmil-images/mine/7brv) | Bovine Pancreatic Trypsin with 4-Bromobenzamidine (Room Temperature) | Descriptor: | 4-bromanylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Takeda, R, Ito, S, Maeki, M, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | Deposit date: | 2020-03-30 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
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7BRZ
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![BU of 7brz by Molmil](/molmil-images/mine/7brz) | Bovine Pancreatic Trypsin with 2-Methyltryptamine (Room Temperature) | Descriptor: | 2-(2-methyl-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | Deposit date: | 2020-03-30 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
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6TP6
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![BU of 6tp6 by Molmil](/molmil-images/mine/6tp6) | Crystal structure of the Orexin-1 receptor in complex with filorexant | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CHLORIDE ION, Orexin receptor type 1, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-12 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.338 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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7BS7
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![BU of 7bs7 by Molmil](/molmil-images/mine/7bs7) | Bovine Pancreatic Trypsin with aniline (Cryo) | Descriptor: | ANILINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | Deposit date: | 2020-03-30 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
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6T8P
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![BU of 6t8p by Molmil](/molmil-images/mine/6t8p) | HKATII IN COMPLEX WITH LIGAND (2R)-N-benzyl-1-[6-methyl-5-(oxan-4-yl)-7-oxo-6H,7H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 3,5-bis(fluoranyl)-~{N}-[5-[(2~{R})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide, IODIDE ION, ... | Authors: | Blaesse, M, Venalainen, J. | Deposit date: | 2019-10-24 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Discovery of sulfonamides and 9-oxo-2,8-diazaspiro[5,5]undecane-2-carboxamides as human kynurenine aminotransferase 2 (KAT2) inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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6TQ4
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![BU of 6tq4 by Molmil](/molmil-images/mine/6tq4) | Crystal structure of the Orexin-1 receptor in complex with Compound 16 | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole, Orexin receptor type 1, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-16 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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5NGD
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![BU of 5ngd by Molmil](/molmil-images/mine/5ngd) | Crystal structure of the V325G mutant of the bacteriophage G20C portal protein | Descriptor: | Portal protein | Authors: | Pascoa, T, Jenkins, H.T, Chechik, M, Greive, S.J, Antson, A.A. | Deposit date: | 2017-03-17 | Release date: | 2017-03-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Porphyrin-Assisted Docking of a Thermophage Portal Protein into Lipid Bilayers: Nanopore Engineering and Characterization Acs Nano, 11, 2017
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2RNE
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![BU of 2rne by Molmil](/molmil-images/mine/2rne) | Solution structure of the second RNA recognition motif (RRM) of TIA-1 | Descriptor: | Tia1 protein | Authors: | Takahashi, M, Kuwasako, K, Abe, C, Tsuda, K, Inoue, M, Terada, T, Shirouzu, M, Kobayashi, N, Kigawa, T, Taguchi, S, Guntert, P, Hayashizaki, Y, Tanaka, A, Muto, Y, Yokoyama, S. | Deposit date: | 2007-12-19 | Release date: | 2008-11-04 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the second RNA recognition motif (RRM) domain of murine T cell intracellular antigen-1 (TIA-1) and its RNA recognition mode Biochemistry, 47, 2008
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7BS6
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![BU of 7bs6 by Molmil](/molmil-images/mine/7bs6) | Bovine Pancreatic Trypsin with 2-Methyltryptamine (Cryo) | Descriptor: | 2-(2-methyl-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | Deposit date: | 2020-03-30 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
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6FGP
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![BU of 6fgp by Molmil](/molmil-images/mine/6fgp) | |
7QE9
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![BU of 7qe9 by Molmil](/molmil-images/mine/7qe9) | Human cationic trypsin (TRY1) complexed with serine protease inhibitor Kazal type 1 N34S (SPINK1 N34S) | Descriptor: | SULFATE ION, Serine protease inhibitor Kazal-type 1, Trypsin-1 | Authors: | Nagel, F, Palm, G.J, Delcea, M, Lammers, M. | Deposit date: | 2021-12-01 | Release date: | 2022-03-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Biophysical Insights into SPINK1 Bound to Human Cationic Trypsin. Int J Mol Sci, 23, 2022
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7QE8
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![BU of 7qe8 by Molmil](/molmil-images/mine/7qe8) | Human cationic trypsin (TRY1) complexed with serine protease inhibitor Kazal type 1 (SPINK1) | Descriptor: | SULFATE ION, Serine protease inhibitor Kazal-type 1, Trypsin-1 | Authors: | Nagel, F, Palm, G.J, Delcea, M, Lammers, M. | Deposit date: | 2021-12-01 | Release date: | 2022-03-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and Biophysical Insights into SPINK1 Bound to Human Cationic Trypsin. Int J Mol Sci, 23, 2022
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5GZ8
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![BU of 5gz8 by Molmil](/molmil-images/mine/5gz8) | |
5CHH
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![BU of 5chh by Molmil](/molmil-images/mine/5chh) | Crystal structure of transcriptional regulator CdpR from Pseudomonas aeruginosa | Descriptor: | AraC family transcriptional regulator | Authors: | Zhao, J.R, Yu, X, Zhu, M, Kang, H.P, Kong, W.N, Ma, J.B, Deng, X, Gan, J.H, Liang, H.H. | Deposit date: | 2015-07-10 | Release date: | 2016-05-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Molecular Mechanism of CdpR Involved in Quorum-Sensing and Bacterial Virulence in Pseudomonas aeruginosa Plos Biol., 14, 2016
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