4LHH
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![BU of 4lhh by Molmil](/molmil-images/mine/4lhh) | Endothiapepsin in complex with 2mM acylhydrazone inhibitor | Descriptor: | (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Radeva, N, Heine, A, Klebe, G. | Deposit date: | 2013-07-01 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry. Angew.Chem.Int.Ed.Engl., 53, 2014
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6PKY
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![BU of 6pky by Molmil](/molmil-images/mine/6pky) | Guinea pig N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain auto-inhibited by pro-peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ... | Authors: | Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2019-06-30 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme. Structure, 28, 2020
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4LNP
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![BU of 4lnp by Molmil](/molmil-images/mine/4lnp) | The first SH3 domain from CAP/Ponsin in complex with proline rich peptide from Vinculin | Descriptor: | Sorbin and SH3 domain-containing protein 1, Vinculin | Authors: | Zhao, D, Li, F, Wu, J, Shi, Y, Zhang, Z, Gong, Q. | Deposit date: | 2013-07-11 | Release date: | 2014-05-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin J.Struct.Biol., 187, 2014
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6PKG
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![BU of 6pkg by Molmil](/molmil-images/mine/6pkg) | Zebrafish N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain auto-inhibited by pro-peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEXAETHYLENE GLYCOL, IODIDE ION, ... | Authors: | Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2019-06-29 | Release date: | 2020-02-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme. Structure, 28, 2020
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4LFQ
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![BU of 4lfq by Molmil](/molmil-images/mine/4lfq) | High resolution x-ray crystal structure of L-ShK toxin | Descriptor: | Potassium channel toxin ShK | Authors: | Dang, B, Kubota, T, Mandal, K, Bezanilla, F, Kent, S.B.H. | Deposit date: | 2013-06-27 | Release date: | 2013-08-14 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.059 Å) | Cite: | Native Chemical Ligation at Asx-Cys, Glx-Cys: Chemical Synthesis and High-Resolution X-ray Structure of ShK Toxin by Racemic Protein Crystallography. J.Am.Chem.Soc., 135, 2013
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4LFS
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![BU of 4lfs by Molmil](/molmil-images/mine/4lfs) | High resolution x-ray structure of racemic ShK toxin | Descriptor: | CHLORIDE ION, GLYCEROL, Potassium channel toxin ShK | Authors: | Dang, B, Kubota, T, Mandal, K, Bezanilla, F, Kent, S.B.H. | Deposit date: | 2013-06-27 | Release date: | 2013-08-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Native Chemical Ligation at Asx-Cys, Glx-Cys: Chemical Synthesis and High-Resolution X-ray Structure of ShK Toxin by Racemic Protein Crystallography. J.Am.Chem.Soc., 135, 2013
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4LG0
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![BU of 4lg0 by Molmil](/molmil-images/mine/4lg0) | Structure of a ternary FOXO1-ETS1 DNA complex | Descriptor: | CALCIUM ION, DNA (5'-D(*DAP*DAP*DAP*DCP*DAP*DAP*DTP*DAP*DAP*DCP*DAP*DGP*DGP*DAP*DAP*DAP*DCP*DCP*DGP*DTP*DG)-3'), DNA (5'-D(*DTP*DTP*DCP*DAP*DCP*DGP*DGP*DTP*DTP*DTP*DCP*DCP*DTP*DGP*DTP*DTP*DAP*DTP*DTP*DGP*DT)-3'), ... | Authors: | Birrane, G, Choy, W.C, Datta, D, Geiger, C.A, Grant, M.A. | Deposit date: | 2013-06-27 | Release date: | 2014-07-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structure of a ternary FOXO1-ETS1 DNA complex To be Published
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4LN2
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![BU of 4ln2 by Molmil](/molmil-images/mine/4ln2) | The second SH3 domain from CAP/Ponsin in complex with proline rich peptide from Vinculin | Descriptor: | Sorbin and SH3 domain-containing protein 1, proline rich peptide | Authors: | Zhao, D, Li, F, Wu, J, Shi, Y, Zhang, Z, Gong, Q. | Deposit date: | 2013-07-11 | Release date: | 2014-05-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin J.Struct.Biol., 187, 2014
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6PDZ
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6PKH
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4L0A
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![BU of 4l0a by Molmil](/molmil-images/mine/4l0a) | X-ray structure of an all LNA quadruplex | Descriptor: | DNA/RNA (5'-R(*(TLN)P*(LCG)P*(LCG)P*(LCG)P*(TLN))-3'), GLYCEROL, POTASSIUM ION | Authors: | Russo Krauss, I, Parkinson, G, Merlino, A, Mazzarella, L, Sica, F. | Deposit date: | 2013-05-31 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A regular thymine tetrad and a peculiar supramolecular assembly in the first crystal structure of an all-LNA G-quadruplex. Acta Crystallogr.,Sect.D, 70, 2014
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4L68
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4NFG
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![BU of 4nfg by Molmil](/molmil-images/mine/4nfg) | K13R mutant of horse cytochrome c and yeast cytochrome c peroxidase complex | Descriptor: | Cytochrome c, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Meulenbroek, E.M, Bashir, Q, Ubbink, M, Pannu, N.S. | Deposit date: | 2013-10-31 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Engineering specificity in a dynamic protein complex with a single conserved mutation. Febs J., 281, 2014
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4NCW
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![BU of 4ncw by Molmil](/molmil-images/mine/4ncw) | foldon domain wild type C-conjugate | Descriptor: | Fibritin, N,N',N''-triethylbenzene-1,3,5-tricarboxamide | Authors: | Graewert, M.A, Berthelmann, A, Lach, J, Groll, M, Eichler, J. | Deposit date: | 2013-10-25 | Release date: | 2014-03-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Versatile C(3)-symmetric scaffolds and their use for covalent stabilization of the foldon trimer. Org.Biomol.Chem., 12, 2014
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4NDD
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![BU of 4ndd by Molmil](/molmil-images/mine/4ndd) | X-ray structure of a double mutant of calexcitin - a neuronal calcium-signalling protein | Descriptor: | CALCIUM ION, Calexcitin | Authors: | Erskine, P.T, Fokas, A, Muriithi, C, Razzall, E, Bowyer, A, Findlow, I.S, Werner, J.M, Wallace, B.A, Wood, S.P, Cooper, J.B. | Deposit date: | 2013-10-25 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein. Acta Crystallogr.,Sect.D, 71, 2015
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6PKI
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![BU of 6pki by Molmil](/molmil-images/mine/6pki) | Zebrafish N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain (C56S C230S) in complex with N-acetyl-alpha-D-glucosamine (alpha-GlcNAc) and mannose 6-phosphate (M6P) | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-phosphono-alpha-D-mannopyranose, ... | Authors: | Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2019-06-29 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.293 Å) | Cite: | Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme. Structure, 28, 2020
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4NRG
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![BU of 4nrg by Molmil](/molmil-images/mine/4nrg) | |
4O1G
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![BU of 4o1g by Molmil](/molmil-images/mine/4o1g) | MTB adenosine kinase in complex with gamma-Thio-ATP | Descriptor: | Adenosine kinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SODIUM ION | Authors: | Dostal, J, Brynda, J, Hocek, M, Pichova, I. | Deposit date: | 2013-12-15 | Release date: | 2014-11-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides J.Med.Chem., 57, 2014
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4L5M
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5K2X
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![BU of 5k2x by Molmil](/molmil-images/mine/5k2x) | Crystal structure of M. tuberculosis UspC (tetragonal crystal form) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, IODIDE ION, ... | Authors: | Futterer, K, Fullam, E, Besra, G.S. | Deposit date: | 2016-05-19 | Release date: | 2016-06-01 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and functional analysis of the solute-binding protein UspC from Mycobacterium tuberculosis that is specific for amino sugars. Open Biology, 6, 2016
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6PKU
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![BU of 6pku by Molmil](/molmil-images/mine/6pku) | Guinea pig N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain (C51S C221S) in complex with N-acetyl-alpha-D-glucosamine (alpha-GlcNAc) and mannose 6-phosphate (M6P) | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-O-phosphono-alpha-D-mannopyranose, ... | Authors: | Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2019-06-29 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme. Structure, 28, 2020
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6PW7
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![BU of 6pw7 by Molmil](/molmil-images/mine/6pw7) | X-ray crystal structure of C. elegans STIM EF-SAM domain | Descriptor: | CALCIUM ION, Stromal interaction molecule 1 | Authors: | Enomoto, M, Nishikawa, T, Back, S.I, Ishiyama, N, Zheng, L, Stathopulos, P.B, Ikura, M. | Deposit date: | 2019-07-22 | Release date: | 2019-11-13 | Last modified: | 2020-02-12 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Coordination of a Single Calcium Ion in the EF-hand Maintains the Off State of the Stromal Interaction Molecule Luminal Domain. J.Mol.Biol., 432, 2020
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5K2Y
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6PTY
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![BU of 6pty by Molmil](/molmil-images/mine/6pty) | Soluble model of human CuA (Tt3Lh) | Descriptor: | Cytochrome c oxidase subunit 2, DINUCLEAR COPPER ION, GLYCEROL, ... | Authors: | Giannini, E, Lisa, M.N, Morgada, M.N, Alzari, P.M, Vila, A.J. | Deposit date: | 2019-07-16 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Unexpected electron spin density on the axial methionine ligand in CuAsuggests its involvement in electron pathways. Chem.Commun.(Camb.), 56, 2020
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4NUU
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![BU of 4nuu by Molmil](/molmil-images/mine/4nuu) | |