7AEZ
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5JH8
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![BU of 5jh8 by Molmil](/molmil-images/mine/5jh8) | Crystal structure of chitinase from Chromobacterium violaceum ATCC 12472 | Descriptor: | (2S)-2-(dimethylamino)-4-(methylselanyl)butanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Chang, C, Michalska, K, Tesar, C, Clancy, S, Joachimiak, A. | Deposit date: | 2016-04-20 | Release date: | 2016-05-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.018 Å) | Cite: | Crystal structure of chitinase from Chromobacterium violaceum ATCC 12472 To Be Published
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5R2H
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![BU of 5r2h by Molmil](/molmil-images/mine/5r2h) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 04, DMSO-Free | Descriptor: | Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.018 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5P73
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5R2B
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![BU of 5r2b by Molmil](/molmil-images/mine/5r2b) | PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry H03, DMSO-free | Descriptor: | Endothiapepsin, N-[(benzyloxy)carbonyl]-N-methyl-L-alanine | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.019 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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5P70
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5R28
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![BU of 5r28 by Molmil](/molmil-images/mine/5r28) | PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry G08, DMSO-free | Descriptor: | Endothiapepsin, N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.019 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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8TT5
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![BU of 8tt5 by Molmil](/molmil-images/mine/8tt5) | Pseudomonas fluorescens isocyanide hydratase pH=8.3 | Descriptor: | 1,2-ETHANEDIOL, Isonitrile hydratase InhA | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | Deposit date: | 2023-08-12 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Changes in an Enzyme Ensemble During Catalysis Observed by High Resolution XFEL Crystallography. Biorxiv, 2023
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1E9W
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![BU of 1e9w by Molmil](/molmil-images/mine/1e9w) | Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur | Descriptor: | THIOSTREPTON | Authors: | Bond, C.S, Shaw, M.P, Alphey, M.S, Hunter, W.N. | Deposit date: | 2000-10-27 | Release date: | 2001-03-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Structure of the Macrocycle Thiostrepton Solved Using the Anomalous Dispersive Contribution from Sulfur Acta Crystallogr.,Sect.D, 57, 2001
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5AI3
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5B27
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![BU of 5b27 by Molmil](/molmil-images/mine/5b27) | The 1.02A structure of human FABP3 M20S mutant complexed with palmitic acid | Descriptor: | Fatty acid-binding protein, heart, PALMITIC ACID, ... | Authors: | Matsuoka, D, Sugiyama, S, Kakinouchi, K, Niiyama, M, Murata, M, Matsuoka, S. | Deposit date: | 2016-01-12 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | The 1.02A structure of human FABP3 M20S mutant complexed with palmitic acid. To Be Published
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7UYC
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![BU of 7uyc by Molmil](/molmil-images/mine/7uyc) | Inhibitor bound VIM1 | Descriptor: | (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, MAGNESIUM ION, ... | Authors: | Fischmann, T.O, Scapin, G. | Deposit date: | 2022-05-06 | Release date: | 2023-05-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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6R3N
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5AOT
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![BU of 5aot by Molmil](/molmil-images/mine/5aot) | Very high resolution structure of a novel carbohydrate binding module from Ruminococcus flavefaciens FD-1 endoglucanase Cel5A | Descriptor: | CACODYLATE ION, Carbohydrate binding module, GLYCEROL | Authors: | Pires, A.J, Ribeiro, T, Thompson, A, Venditto, I, Fernandes, V.O, Bule, P, Santos, H, Alves, V.D, Pires, V, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | Deposit date: | 2015-09-11 | Release date: | 2016-06-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5SSZ
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5SSX
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3A0M
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![BU of 3a0m by Molmil](/molmil-images/mine/3a0m) | Structure of (PPG)4-OVG-(PPG)4, monoclinic, twinned crystal | Descriptor: | collagen-like peptide | Authors: | Okuyama, K, Morimoto, T, Mizuno, K, Bachinger, H.P. | Deposit date: | 2009-03-21 | Release date: | 2010-03-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Stabilization of triple-helical structures of collagen peptides containing a Hyp-Thr-Gly, Hyp-Val-Gly, or Hyp-Ser-Gly sequence. Biopolymers, 95, 2011
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8HKA
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7A2S
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4CZ5
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5MDU
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![BU of 5mdu by Molmil](/molmil-images/mine/5mdu) | Structure of the RNA recognition motif (RRM) of Seb1 from S. pombe. | Descriptor: | CHLORIDE ION, GLYCEROL, Rpb7-binding protein seb1, ... | Authors: | Wittmann, S, Renner, M, El Omari, K, Adams, O, Vasiljeva, L, Grimes, J. | Deposit date: | 2016-11-13 | Release date: | 2017-04-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | The conserved protein Seb1 drives transcription termination by binding RNA polymerase II and nascent RNA. Nat Commun, 8, 2017
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3NU3
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![BU of 3nu3 by Molmil](/molmil-images/mine/3nu3) | Wild Type HIV-1 Protease with Antiviral Drug Amprenavir | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | Authors: | Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T. | Deposit date: | 2010-07-06 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters. Febs J., 277, 2010
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6J5S
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![BU of 6j5s by Molmil](/molmil-images/mine/6j5s) | Crystal structure of human HINT1 mutant complexing with AP5A | Descriptor: | BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ETHANESULFONIC ACID, Histidine triad nucleotide-binding protein 1 | Authors: | Wang, J, Fang, P, Guo, M. | Deposit date: | 2019-01-11 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells. Nat Commun, 10, 2019
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4YU1
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4P5S
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![BU of 4p5s by Molmil](/molmil-images/mine/4p5s) | Structure of reduced W45Y mutant of amicyanin | Descriptor: | Amicyanin, COPPER (I) ION | Authors: | Sukumar, N, Davidson, V.L. | Deposit date: | 2014-03-19 | Release date: | 2014-04-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | The sole tryptophan of amicyanin enhances its thermal stability but does not influence the electronic properties of the type 1 copper site. Arch.Biochem.Biophys., 550-551, 2014
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