5V3H
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![BU of 5v3h by Molmil](/molmil-images/mine/5v3h) | Crystal structure of SMYD2 with SAM and EPZ033294 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2017-03-07 | Release date: | 2018-04-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Small molecule inhibitors and CRISPR/Cas9 mutagenesis demonstrate that SMYD2 and SMYD3 activity are dispensable for autonomous cancer cell proliferation. Plos One, 13, 2018
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5V4M
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![BU of 5v4m by Molmil](/molmil-images/mine/5v4m) | Structure of HLA-DR15 with bound alpha3(135-145) peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HLA-DRA1, ... | Authors: | Petersen, J, Rossjohn, J. | Deposit date: | 2017-03-10 | Release date: | 2017-05-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dominant protection from HLA-linked autoimmunity by antigen-specific regulatory T cells. Nature, 545, 2017
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5V2Q
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![BU of 5v2q by Molmil](/molmil-images/mine/5v2q) | CaV beta2a subunit: CaV1.2 AID-CEN complex | Descriptor: | 1,3-bis(bromomethyl)benzene, CHLORIDE ION, Voltage-dependent L-type calcium channel subunit alpha-1C, ... | Authors: | Findeisen, F, Campiglio, M, Jo, H, Rumpf, C.H, Pope, L, Flucher, B, Degrado, W.F, Minor, D.L. | Deposit date: | 2017-03-06 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Stapled Voltage-Gated Calcium Channel (CaV) alpha-Interaction Domain (AID) Peptides Act As Selective Protein-Protein Interaction Inhibitors of CaV Function. ACS Chem Neurosci, 8, 2017
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5UIC
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![BU of 5uic by Molmil](/molmil-images/mine/5uic) | |
7XG7
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![BU of 7xg7 by Molmil](/molmil-images/mine/7xg7) | Crystal structure of PstS protein from cyanophage Syn19 | Descriptor: | GLYCEROL, PHOSPHATE ION, Phosphate transporter subunit | Authors: | Cai, K, Jiang, Y.L. | Deposit date: | 2022-04-03 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Biochemical and structural characterization of the cyanophage-encoded phosphate-binding protein: implications for enhanced phosphate uptake of infected cyanobacteria Environ.Microbiol., 24, 2022
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7XG8
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![BU of 7xg8 by Molmil](/molmil-images/mine/7xg8) | Crystal structure of PstS protein from cyanophage P-SSM2 | Descriptor: | ABC transporter, substrate binding protein, phosphate, ... | Authors: | Cai, K, Jiang, Y.L. | Deposit date: | 2022-04-03 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Biochemical and structural characterization of the cyanophage-encoded phosphate-binding protein: implications for enhanced phosphate uptake of infected cyanobacteria Environ.Microbiol., 24, 2022
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5U5K
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![BU of 5u5k by Molmil](/molmil-images/mine/5u5k) | |
5TUX
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![BU of 5tux by Molmil](/molmil-images/mine/5tux) | crystal structure and light induced structural changes in orange carotenoid protein bound with echinenone | Descriptor: | GLYCEROL, Orange carotenoid-binding protein, beta,beta-caroten-4-one | Authors: | Yang, X, Bandara, S, Ren, Z. | Deposit date: | 2016-11-07 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Photoactivation mechanism of a carotenoid-based photoreceptor. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5V71
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![BU of 5v71 by Molmil](/molmil-images/mine/5v71) | KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder | Descriptor: | 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Westover, K, Lu, J. | Deposit date: | 2017-03-17 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.228 Å) | Cite: | KRAS G12C Drug Development: Discrimination between Switch II Pocket Configurations Using Hydrogen/Deuterium-Exchange Mass Spectrometry. Structure, 25, 2017
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5UHE
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![BU of 5uhe by Molmil](/molmil-images/mine/5uhe) | Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-AAP1 | Descriptor: | DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lin, W, Das, K, Feng, Y, Ebright, R.H. | Deposit date: | 2017-01-11 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.039 Å) | Cite: | Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition. Mol. Cell, 66, 2017
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5V4N
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![BU of 5v4n by Molmil](/molmil-images/mine/5v4n) | Structure of HLA-DR1 with bound alpha3(135-145) peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA-DRA1, alpha3(135-145)-HLA-DRB1*01:01 | Authors: | Petersen, J, Rossjohn, J. | Deposit date: | 2017-03-10 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.405 Å) | Cite: | Dominant protection from HLA-linked autoimmunity by antigen-specific regulatory T cells. Nature, 545, 2017
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5USY
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![BU of 5usy by Molmil](/molmil-images/mine/5usy) | JAK2 JH1 in complex with JNJ-7706621 | Descriptor: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, GLYCEROL, SULFATE ION, ... | Authors: | Puleo, D.E, Schlessinger, J. | Deposit date: | 2017-02-14 | Release date: | 2017-06-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders. ACS Med Chem Lett, 8, 2017
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5TBE
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![BU of 5tbe by Molmil](/molmil-images/mine/5tbe) | Human p38alpha MAP Kinase in Complex with Dibenzosuberone Compound 2 | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[2,4-bis(fluoranyl)-5-[[9-(2-morpholin-4-ylethylcarbamoyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulen-3-yl]amino]phenyl]thiophene-2-carboxamide | Authors: | Buehrmann, M, Rauh, D. | Deposit date: | 2016-09-12 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Optimized Target Residence Time: Type I1/2 Inhibitors for p38 alpha MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine. Angew. Chem. Int. Ed. Engl., 56, 2017
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5TJT
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![BU of 5tjt by Molmil](/molmil-images/mine/5tjt) | |
5V2P
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![BU of 5v2p by Molmil](/molmil-images/mine/5v2p) | CaV beta2a subunit: CaV1.2 AID-CAP complex | Descriptor: | 1,3-bis(bromomethyl)benzene, NICKEL (II) ION, PENTAETHYLENE GLYCOL, ... | Authors: | Findeisen, F, Campiglio, M, Jo, H, Rumpf, C.H, Pope, L, Flucher, B, Degrado, W.F, Minor, D.L. | Deposit date: | 2017-03-06 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Stapled Voltage-Gated Calcium Channel (CaV) alpha-Interaction Domain (AID) Peptides Act As Selective Protein-Protein Interaction Inhibitors of CaV Function. ACS Chem Neurosci, 8, 2017
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5V2G
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![BU of 5v2g by Molmil](/molmil-images/mine/5v2g) | De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures | Descriptor: | 1,3,5-tris(bromomethyl)benzene, 20-mer Peptide | Authors: | Dang, B, Wu, H, Mulligan, V.K, Mravic, M, Wu, Y, Lemmin, T, Ford, A, Silva, D, Baker, D, DeGrado, W.F. | Deposit date: | 2017-03-03 | Release date: | 2017-09-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5V37
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![BU of 5v37 by Molmil](/molmil-images/mine/5v37) | Crystal structure of SMYD3 with SAM and EPZ028862 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Boriack-Sjodin, P.A. | Deposit date: | 2017-03-06 | Release date: | 2018-03-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Small molecule inhibitors and CRISPR/Cas9 mutagenesis demonstrate that SMYD2 and SMYD3 activity are dispensable for autonomous cancer cell proliferation. Plos One, 13, 2018
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3F16
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![BU of 3f16 by Molmil](/molmil-images/mine/3f16) | |
3GY5
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![BU of 3gy5 by Molmil](/molmil-images/mine/3gy5) | A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC | Descriptor: | 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ... | Authors: | Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. | Deposit date: | 2009-04-03 | Release date: | 2010-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model. Int.J.Biol.Macromol., 46, 2010
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3GY8
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![BU of 3gy8 by Molmil](/molmil-images/mine/3gy8) | A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC | Descriptor: | 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ... | Authors: | Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. | Deposit date: | 2009-04-03 | Release date: | 2010-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model. Int.J.Biol.Macromol., 46, 2010
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3GY6
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![BU of 3gy6 by Molmil](/molmil-images/mine/3gy6) | A comparative study on the inhibition of bovine beta-trypsin by the bis-benzamidines diminazene and pentamidine | Descriptor: | 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ... | Authors: | Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. | Deposit date: | 2009-04-03 | Release date: | 2010-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model. Int.J.Biol.Macromol., 46, 2010
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3FU9
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![BU of 3fu9 by Molmil](/molmil-images/mine/3fu9) | Melanocarpus albomyces laccase crystal soaked (20 min) with 2,6-dimethoxyphenol | Descriptor: | 2,6-dimethoxybenzene-1,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kallio, J.P, Hakulinen, N, Rouvinen, J. | Deposit date: | 2009-01-14 | Release date: | 2009-09-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Function Studies of a Melanocarpus albomyces Laccase Suggest a Pathway for Oxidation of Phenolic Compounds. J.Mol.Biol., 392, 2009
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3GY4
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![BU of 3gy4 by Molmil](/molmil-images/mine/3gy4) | A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | Authors: | Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. | Deposit date: | 2009-04-03 | Release date: | 2010-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model. Int.J.Biol.Macromol., 46, 2010
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3GY2
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![BU of 3gy2 by Molmil](/molmil-images/mine/3gy2) | A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC | Descriptor: | 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ... | Authors: | Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. | Deposit date: | 2009-04-03 | Release date: | 2010-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model. Int.J.Biol.Macromol., 46, 2010
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3GY3
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![BU of 3gy3 by Molmil](/molmil-images/mine/3gy3) | A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC | Descriptor: | 1,2-ETHANEDIOL, 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, CALCIUM ION, ... | Authors: | Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. | Deposit date: | 2009-04-03 | Release date: | 2010-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model. Int.J.Biol.Macromol., 46, 2010
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