4GEO
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![BU of 4geo by Molmil](/molmil-images/mine/4geo) | P38a MAP kinase DEF-pocket penta mutant (M194A, L195A, H228A, I229A, Y258A) | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Livnah, O, Tzarum, N. | Deposit date: | 2012-08-02 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | P38a MAP kinase DEF-pocket penta mutant (M194A, L195A, H228A, I229A, Y258A) To be Published
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5LRC
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![BU of 5lrc by Molmil](/molmil-images/mine/5lrc) | Crystal structure of Glycogen Phosphorylase in complex with KS114 | Descriptor: | (1S)-1,5-anhydro-1-(5-phenyl-4H-1,2,4-triazol-3-yl)-D-glucitol, Glycogen phosphorylase, muscle form, ... | Authors: | Kantsadi, A.L, Stravodimos, G.A, Chatzileontiadou, D.S.M, Leonidas, D.D. | Deposit date: | 2016-08-18 | Release date: | 2017-06-14 | Last modified: | 2020-08-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | van der Waals interactions govern C-beta-d-glucopyranosyl triazoles' nM inhibitory potency in human liver glycogen phosphorylase. J. Struct. Biol., 199, 2017
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3D83
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![BU of 3d83 by Molmil](/molmil-images/mine/3d83) | Crystal structure of P38 kinase in complex with a biphenyl amide inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 14, N-{4'-[(cyclopropylmethyl)carbamoyl]-6-methylbiphenyl-3-yl}-2-morpholin-4-ylpyridine-4-carboxamide | Authors: | Somers, D.O. | Deposit date: | 2008-05-22 | Release date: | 2008-07-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Biphenyl amide p38 kinase inhibitors 4: DFG-in and DFG-out binding modes. Bioorg.Med.Chem.Lett., 18, 2008
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7B24
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![BU of 7b24 by Molmil](/molmil-images/mine/7b24) | |
7B1Y
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![BU of 7b1y by Molmil](/molmil-images/mine/7b1y) | |
7B23
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![BU of 7b23 by Molmil](/molmil-images/mine/7b23) | |
7B20
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![BU of 7b20 by Molmil](/molmil-images/mine/7b20) | |
7B25
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![BU of 7b25 by Molmil](/molmil-images/mine/7b25) | |
3DFC
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![BU of 3dfc by Molmil](/molmil-images/mine/3dfc) | |
5MXW
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![BU of 5mxw by Molmil](/molmil-images/mine/5mxw) | Crystal structure of yellow lupin LLPR-10.2B protein in complex with melatonin and trans-zeatin. | Descriptor: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, Class 10 plant pathogenesis-related protein, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, ... | Authors: | Sliwiak, J, Sikorski, M, Jaskolski, M. | Deposit date: | 2017-01-25 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | PR-10 proteins as potential mediators of melatonin-cytokinin cross-talk in plants: crystallographic studies of LlPR-10.2B isoform from yellow lupine. FEBS J., 285, 2018
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5N04
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![BU of 5n04 by Molmil](/molmil-images/mine/5n04) | X-ray crystal structure of an LPMO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ... | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Lo Leggio, L. | Deposit date: | 2017-02-02 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Unliganded and substrate bound structures of the cellooligosaccharide active lytic polysaccharide monooxygenase LsAA9A at low pH. Carbohydr. Res., 448, 2017
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7BBN
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7BN3
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7BFC
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![BU of 7bfc by Molmil](/molmil-images/mine/7bfc) | |
7BFD
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5LK6
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![BU of 5lk6 by Molmil](/molmil-images/mine/5lk6) | |
8HLK
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![BU of 8hlk by Molmil](/molmil-images/mine/8hlk) | Structure of McyB-C1A1 complexed with L-Leu and AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, LEUCINE, Microcystin synthetase B (Fragment) | Authors: | Peng, Y.J. | Deposit date: | 2022-11-30 | Release date: | 2023-12-13 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Modular catalytic activity of nonribosomal peptide synthetases depends on the dynamic interaction between adenylation and condensation domains. Structure, 32, 2024
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5LRF
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![BU of 5lrf by Molmil](/molmil-images/mine/5lrf) | Crystal structure of Glycogen Phosphorylase b in complex with KS389 | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4,5-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | Authors: | Kantsadi, A.L, Leonidas, D.D. | Deposit date: | 2016-08-18 | Release date: | 2017-06-14 | Last modified: | 2019-02-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | van der Waals interactions govern C-beta-d-glucopyranosyl triazoles' nM inhibitory potency in human liver glycogen phosphorylase. J. Struct. Biol., 199, 2017
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5LRE
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![BU of 5lre by Molmil](/molmil-images/mine/5lre) | Crystal structure of Glycogen Phosphorylase b in complex with KS382 | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4,5-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | Authors: | Kantsadi, A.L, Stravodimos, G.A, Kyriakis, E, Chatzileontiadou, D.S.M, Leonidas, D.D. | Deposit date: | 2016-08-18 | Release date: | 2017-05-31 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthetic, enzyme kinetic, and protein crystallographic studies of C-beta-d-glucopyranosyl pyrroles and imidazoles reveal and explain low nanomolar inhibition of human liver glycogen phosphorylase. Eur J Med Chem, 123, 2016
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5NNS
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![BU of 5nns by Molmil](/molmil-images/mine/5nns) | Crystal structure of HiLPMO9B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, COPPER (II) ION, ... | Authors: | Dimarogona, M, Sandgren, M. | Deposit date: | 2017-04-10 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and molecular dynamics studies of a C1-oxidizing lytic polysaccharide monooxygenase from Heterobasidion irregulare reveal amino acids important for substrate recognition. FEBS J., 285, 2018
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5LRD
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![BU of 5lrd by Molmil](/molmil-images/mine/5lrd) | Crystal structure of Glycogen Phosphorylase b in complex with KS242 | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | Authors: | Kantsadi, A.L, Leonidas, D.D. | Deposit date: | 2016-08-18 | Release date: | 2017-06-14 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | van der Waals interactions govern C-beta-d-glucopyranosyl triazoles' nM inhibitory potency in human liver glycogen phosphorylase. J. Struct. Biol., 199, 2017
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6ZRB
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7A10
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![BU of 7a10 by Molmil](/molmil-images/mine/7a10) | LppS with covalent adduct derived from 1g | Descriptor: | 4-methoxycyclohexa-2,5-diene-1-thione, L,D-transpeptidase 2 | Authors: | Schnell, R, Steiner, E.M. | Deposit date: | 2020-08-11 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis. Cell Chem Biol, 28, 2021
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7A1E
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![BU of 7a1e by Molmil](/molmil-images/mine/7a1e) | LppS with covalent adduct derived from 1c | Descriptor: | ACETATE ION, L,D-transpeptidase 2, phenylmethanethiol | Authors: | Schnell, R, Steiner, E.M. | Deposit date: | 2020-08-12 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis. Cell Chem Biol, 28, 2021
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7A0Z
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![BU of 7a0z by Molmil](/molmil-images/mine/7a0z) | LppS with covalent adduct derived from 1b | Descriptor: | L,D-transpeptidase 2, TRIS(HYDROXYETHYL)AMINOMETHANE, benzenethiol | Authors: | Schnell, R, Steiner, E.M. | Deposit date: | 2020-08-11 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis. Cell Chem Biol, 28, 2021
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