8R07
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![BU of 8r07 by Molmil](/molmil-images/mine/8r07) | C-terminal Rel-homology Domain of NFAT1 | Descriptor: | Nuclear factor of activated T-cells, cytoplasmic 2 | Authors: | Zak, K.M, Boettcher, J. | Deposit date: | 2023-10-30 | Release date: | 2024-03-06 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Ligandability assessment of the C-terminal Rel-homology domain of NFAT1. Arch Pharm, 357, 2024
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6HAQ
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![BU of 6haq by Molmil](/molmil-images/mine/6haq) | AFGH61B WILD-TYPE COPPER LOADED | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, COPPER (II) ION, ... | Authors: | Lo Leggio, L, Poulsen, J.C.N, Weihe, C.D. | Deposit date: | 2018-08-08 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structure of a lytic polysaccharide monooxygenase from Aspergillus fumigatus and an engineered thermostable variant. Carbohydr. Res., 469, 2018
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8DZP
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![BU of 8dzp by Molmil](/molmil-images/mine/8dzp) | momSalB bound Kappa Opioid Receptor in complex with Gi1 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Fay, J.F, Che, T. | Deposit date: | 2022-08-08 | Release date: | 2023-05-03 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Ligand and G-protein selectivity in the kappa-opioid receptor. Nature, 617, 2023
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8DZQ
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![BU of 8dzq by Molmil](/molmil-images/mine/8dzq) | momSalB bound Kappa Opioid Receptor in complex with GoA | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(o) subunit alpha, ... | Authors: | Fay, J.F, Che, T. | Deposit date: | 2022-08-08 | Release date: | 2023-05-03 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (2.82 Å) | Cite: | Ligand and G-protein selectivity in the kappa-opioid receptor. Nature, 617, 2023
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8DZS
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![BU of 8dzs by Molmil](/molmil-images/mine/8dzs) | GR89,696 bound Kappa Opioid Receptor in complex with Gz | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(z) subunit alpha, ... | Authors: | Fay, J.F, Che, T. | Deposit date: | 2022-08-08 | Release date: | 2023-05-03 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | Ligand and G-protein selectivity in the kappa-opioid receptor. Nature, 617, 2023
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8DZR
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![BU of 8dzr by Molmil](/molmil-images/mine/8dzr) | GR89,696 bound Kappa Opioid Receptor in complex with gustducin | Descriptor: | G alpha gustducin protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Fay, J.F, Che, T. | Deposit date: | 2022-08-08 | Release date: | 2023-05-03 | Last modified: | 2023-05-31 | Method: | ELECTRON MICROSCOPY (2.61 Å) | Cite: | Ligand and G-protein selectivity in the kappa-opioid receptor. Nature, 617, 2023
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5NES
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![BU of 5nes by Molmil](/molmil-images/mine/5nes) | Discovery, crystal structures and atomic force microscopy study of thioether ligated D,L-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa | Descriptor: | 1,3-dimethylbenzene, 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, ... | Authors: | Reymond, J.-L, Darbre, T, Stocker, A, Hong, W, van Delden, C, Koehler, T, Luscher, A, Visini, R, Fu, Y, Di Bonaventura, I, He, R. | Deposit date: | 2017-03-11 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.606 Å) | Cite: | Design, crystal structure and atomic force microscopy study of thioether ligated d,l-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa. Chem Sci, 8, 2017
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8C0F
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![BU of 8c0f by Molmil](/molmil-images/mine/8c0f) | Tubulin-PTC596 complex | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-fluoranyl-2-(6-fluoranyl-2-methyl-benzimidazol-1-yl)-~{N}4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine, ... | Authors: | Prota, A.E, Muehlethaler, T, Weetall, M, Steinmetz, M.O. | Deposit date: | 2022-12-16 | Release date: | 2022-12-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1005 Å) | Cite: | Preclinical and Early Clinical Development of PTC596, a Novel Small-Molecule Tubulin-Binding Agent Mol Cancer Ther, 20, 2021
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7Z6B
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7VRJ
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![BU of 7vrj by Molmil](/molmil-images/mine/7vrj) | STRUCTURE OF PHOTOSYNTHETIC LH1-RC SUPER-COMPLEX OF Allochromatium tepidum | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | Authors: | Tani, K, Kobayashi, K, Hosogi, N, Ji, X.-C, Nagashima, S, Nagashima, K.V.P, Tsukatani, Y, Kanno, R, Hall, M, Yu, L.-J, Ishikawa, I, Okura, Y, Madigan, M.T, Mizoguchi, A, Humbel, B.M, Kimura, Y, Wang-Otomo, Z.-Y. | Deposit date: | 2021-10-23 | Release date: | 2022-05-04 | Last modified: | 2022-06-08 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | A Ca 2+ -binding motif underlies the unusual properties of certain photosynthetic bacterial core light-harvesting complexes. J.Biol.Chem., 298, 2022
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6HA5
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![BU of 6ha5 by Molmil](/molmil-images/mine/6ha5) | AFGH61B L90V/D131S/M134L/A141W VARIANT | Descriptor: | ACETATE ION, COPPER (II) ION, Endoglucanase, ... | Authors: | Lo Leggio, L, Poulsen, J.C.N. | Deposit date: | 2018-08-07 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure of a lytic polysaccharide monooxygenase from Aspergillus fumigatus and an engineered thermostable variant. Carbohydr. Res., 469, 2018
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1N6E
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![BU of 1n6e by Molmil](/molmil-images/mine/1n6e) | tricorn protease in complex with a tridecapeptide chloromethyl ketone derivative | Descriptor: | DQTQKAAAELTFF, Tricorn protease | Authors: | Kim, J.-S, Groll, M, Huber, R, Brandstetter, H. | Deposit date: | 2002-11-10 | Release date: | 2002-12-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Navigation Inside a Protease: Substrate Selection and Product Exit in the Tricorn Protease
from Thermoplasma acidophilum J.Mol.Biol., 324, 2002
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1N6F
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![BU of 1n6f by Molmil](/molmil-images/mine/1n6f) | tricorn protease in complex with Z-Phe-diketo-Arg-Glu-Phe | Descriptor: | 4-[2-(3-BENZYLOXYCARBONYLAMINO-4-CYCLOHEXYL-1-HYDROXY-2-OXO-BUTYLAMINO)-5-GUANIDINO-PENTANOYLAMINO]-4-(1-CARBOXY-2-CYCLOHEXYL-ETHYLCARBAMOYL)-BUTYRIC ACID, tricorn protease | Authors: | Kim, J.-S, Groll, M, Huber, R, Brandstetter, H. | Deposit date: | 2002-11-10 | Release date: | 2002-12-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Navigation Inside a Protease: Substrate Selection and Product Exit in the Tricorn Protease
from Thermoplasma acidophilum J.Mol.Biol., 324, 2002
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1N6D
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![BU of 1n6d by Molmil](/molmil-images/mine/1n6d) | Tricorn protease in complex with tetrapeptide chloromethyl ketone derivative | Descriptor: | DECANE, RVRK, Tricorn protease | Authors: | Kim, J.-S, Groll, M, Huber, R, Brandstetter, H. | Deposit date: | 2002-11-10 | Release date: | 2002-12-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Navigation Inside a Protease: Substrate Selection and Product Exit in the Tricorn Protease
from Thermoplasma acidophilum J.Mol.Biol., 324, 2002
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7KOT
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4JUY
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![BU of 4juy by Molmil](/molmil-images/mine/4juy) | Crystal structure of the PUB domain of E3 ubiquitin ligase RNF31 | Descriptor: | E3 ubiquitin-protein ligase RNF31, UNKNOWN ATOM OR ION | Authors: | Dong, A, Hu, J, Li, Y, Wernimont, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2013-03-25 | Release date: | 2013-04-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the PUB domain of E3 ubiquitin ligase RNF31 To be Published
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4MVT
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![BU of 4mvt by Molmil](/molmil-images/mine/4mvt) | Crystal structure of SUMO E3 Ligase PIAS3 | Descriptor: | CHLORIDE ION, E3 SUMO-protein ligase PIAS3, UNKNOWN ATOM OR ION, ... | Authors: | Dong, A, Hu, J, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-24 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of SUMO E3 Ligase PIAS3 to be published
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7KP5
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2WNE
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![BU of 2wne by Molmil](/molmil-images/mine/2wne) | Mutant Laminarinase 16A cyclizes laminariheptaose | Descriptor: | PUTATIVE LAMINARINASE, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose | Authors: | Vasur, J, Kawai, R, Andersson, E, Widmalm, G, Jonsson, K.H.M, Hansson, H, Engstrom, A, Einarsson, E, Forsberg, Z, Igarashi, K, Sandgren, M, Samejima, M, Stahlberg, J. | Deposit date: | 2009-07-09 | Release date: | 2010-01-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.124 Å) | Cite: | Synthesis of Cyclic Beta-Glucan Using Laminarinase 16A Glycosynthase Mutant from the Basidiomycete Phanerochaete Chrysosporium. J.Am.Chem.Soc., 132, 2010
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5NEY
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![BU of 5ney by Molmil](/molmil-images/mine/5ney) | Discovery, crystal structures and atomic force microscopy study of thioether ligated D,L-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, CYS-TRD-TRP-LYD-LYS-LYD-LYS-LYD-TRP-TRD-CYS-ALA, ... | Authors: | Reymond, J.-L, Darbre, T, Stocker, A, Hong, W, van Delden, C, Koehler, T, Luscher, A, Visini, R, Fu, Y, Di Bonaventura, I, He, R. | Deposit date: | 2017-03-13 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Design, crystal structure and atomic force microscopy study of thioether ligated d,l-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa. Chem Sci, 8, 2017
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4QJI
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4OLF
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![BU of 4olf by Molmil](/molmil-images/mine/4olf) | |
7CSW
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![BU of 7csw by Molmil](/molmil-images/mine/7csw) | Pseudomonas aeruginosa antitoxin HigA with pa2440 promoter | Descriptor: | HTH cro/C1-type domain-containing protein, pa2440 | Authors: | Song, Y.J, Luo, G.H, Bao, R. | Deposit date: | 2020-08-17 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs. Environ.Microbiol., 23, 2021
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7CSV
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![BU of 7csv by Molmil](/molmil-images/mine/7csv) | Pseudomonas aeruginosa antitoxin HigA | Descriptor: | HTH cro/C1-type domain-containing protein | Authors: | Song, Y.J, Luo, G.H, Bao, R. | Deposit date: | 2020-08-17 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs. Environ.Microbiol., 23, 2021
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8RYS
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![BU of 8rys by Molmil](/molmil-images/mine/8rys) | Human IL-1beta, unliganded | Descriptor: | Interleukin-1 beta, SULFATE ION | Authors: | Rondeau, J.-M, Lehmann, S. | Deposit date: | 2024-02-09 | Release date: | 2024-03-06 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches. J.Med.Chem., 67, 2024
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