2RH4
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![BU of 2rh4 by Molmil](/molmil-images/mine/2rh4) | Actinorhodin ketoreductase, actKR, with NADPH and Inhibitor Emodin | Descriptor: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, Actinorhodin Polyketide Ketoreductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Korman, T.P, Tsai, S.-C. | Deposit date: | 2007-10-05 | Release date: | 2008-08-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Inhibition kinetics and emodin cocrystal structure of a type II polyketide ketoreductase Biochemistry, 47, 2008
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2RHC
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![BU of 2rhc by Molmil](/molmil-images/mine/2rhc) | Actinorhodin ketordeuctase, actKR, with NADP+ and Inhibitor Emodin | Descriptor: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, Actinorhodin Polyketide Ketoreductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Korman, T.P, Tsai, S.-C. | Deposit date: | 2007-10-08 | Release date: | 2008-08-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition kinetics and emodin cocrystal structure of a type II polyketide ketoreductase Biochemistry, 47, 2008
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5WNM
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![BU of 5wnm by Molmil](/molmil-images/mine/5wnm) | |
5WNL
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![BU of 5wnl by Molmil](/molmil-images/mine/5wnl) | |
3LIM
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![BU of 3lim by Molmil](/molmil-images/mine/3lim) | Crystal structure of the pore forming toxin frac from sea anemone actinia fragacea | Descriptor: | Fragaceatoxin C, LAURYL DIMETHYLAMINE-N-OXIDE | Authors: | Mechaly, A.E, Bellomio, A, Morante, K, Gonzalez-Manas, J.M, Guerin, D.M.A. | Deposit date: | 2010-01-25 | Release date: | 2010-12-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the oligomerization and architecture of eukaryotic membrane pore-forming toxins. Structure, 19, 2011
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6S1F
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![BU of 6s1f by Molmil](/molmil-images/mine/6s1f) | Structure of the kinase domain of human RIPK2 in complex with the inhibitor CSLP3 | Descriptor: | Receptor-interacting serine/threonine-protein kinase 2, ~{N}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide | Authors: | Pinkas, D.M, Bufton, J.C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2019-06-18 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Design of 3,5-diaryl-2-aminopyridines as receptor-interacting protein kinase 2 (RIPK2) and nucleotide-binding oligomerization domain (NOD) cell signaling inhibitors To be published
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4QAM
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![BU of 4qam by Molmil](/molmil-images/mine/4qam) | Crystal Structure of the RPGR RCC1-like domain in complex with the RPGR-interacting domain of RPGRIP1 | Descriptor: | GLYCEROL, MAGNESIUM ION, X-linked retinitis pigmentosa GTPase regulator, ... | Authors: | Remans, K, Buerger, M, Vetter, I.R, Wittinghofer, A. | Deposit date: | 2014-05-05 | Release date: | 2014-07-30 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | C2 domains as protein-protein interaction modules in the ciliary transition zone. Cell Rep, 8, 2014
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4H6V
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![BU of 4h6v by Molmil](/molmil-images/mine/4h6v) | |
7R1V
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7R1W
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![BU of 7r1w by Molmil](/molmil-images/mine/7r1w) | E. coli BAM complex (BamABCDE) bound to dynobactin A | Descriptor: | Dynobactin A, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | Authors: | Jakob, R.P, Hiller, S, Maier, T. | Deposit date: | 2022-02-03 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Computational identification of a systemic antibiotic for gram-negative bacteria. Nat Microbiol, 7, 2022
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3HO4
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3HO3
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6R5F
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![BU of 6r5f by Molmil](/molmil-images/mine/6r5f) | Crystal structure of RIP1 kinase in complex with DHP77 | Descriptor: | Receptor-interacting serine/threonine-protein kinase 1, [(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone | Authors: | Thorpe, J.H, Campobasso, N, Harris, P.A. | Deposit date: | 2019-03-25 | Release date: | 2019-05-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase. J.Med.Chem., 62, 2019
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6C95
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![BU of 6c95 by Molmil](/molmil-images/mine/6c95) | |
3RGI
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![BU of 3rgi by Molmil](/molmil-images/mine/3rgi) | |
3SBM
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![BU of 3sbm by Molmil](/molmil-images/mine/3sbm) | Trans-acting transferase from Disorazole synthase in complex with Acetate | Descriptor: | ACETATE ION, DisD protein, HEXAETHYLENE GLYCOL | Authors: | Khosla, C, Mathews, I.I, Wong, F.T, Jin, X. | Deposit date: | 2011-06-06 | Release date: | 2011-07-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure and Mechanism of the trans-Acting Acyltransferase from the Disorazole Synthase. Biochemistry, 50, 2011
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4TSO
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![BU of 4tso by Molmil](/molmil-images/mine/4tso) | Crystal structure of FraC with DHPC bound (crystal form I) | Descriptor: | 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Fragaceatoxin C, PHOSPHATE ION, ... | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | Deposit date: | 2014-06-19 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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4TSP
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![BU of 4tsp by Molmil](/molmil-images/mine/4tsp) | Crystal structure of FraC with DHPC bound (crystal form II) | Descriptor: | 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Fragaceatoxin C, PHOSPHATE ION, ... | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | Deposit date: | 2014-06-19 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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4TSL
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![BU of 4tsl by Molmil](/molmil-images/mine/4tsl) | Crystal structure of FraC with POC bound (crystal form I) | Descriptor: | ACETATE ION, FORMIC ACID, Fragaceatoxin C, ... | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | Deposit date: | 2014-06-19 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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4TSY
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![BU of 4tsy by Molmil](/molmil-images/mine/4tsy) | Crystal structure of FraC with lipids | Descriptor: | 2-[[(E,2S,3R)-2-(hexanoylamino)-3-oxidanyl-dec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium, Fragaceatoxin C, HEPTANE-1,2,3-TRIOL, ... | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | Deposit date: | 2014-06-19 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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4TSN
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![BU of 4tsn by Molmil](/molmil-images/mine/4tsn) | Crystal structure of FraC with POC bound (crystal form II) | Descriptor: | ACETATE ION, Fragaceatoxin C, GLYCEROL, ... | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | Deposit date: | 2014-06-19 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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4TSQ
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![BU of 4tsq by Molmil](/molmil-images/mine/4tsq) | Crystal structure of FraC with DHPC bound (crystal form III) | Descriptor: | 1,2-dihexanoyl-sn-glycero-3-phosphocholine, CHLORIDE ION, Fragaceatoxin C, ... | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | Deposit date: | 2014-06-19 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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2GZS
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![BU of 2gzs by Molmil](/molmil-images/mine/2gzs) | |
2GZR
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7MDE
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![BU of 7mde by Molmil](/molmil-images/mine/7mde) | Full-length S95A ClbP | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Beta-lactamase, CHLORIDE ION, ... | Authors: | Velilla, J.A, Volpe, M.R, Gaudet, R. | Deposit date: | 2021-04-04 | Release date: | 2022-09-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of colibactin activation by the ClbP peptidase. Nat.Chem.Biol., 19, 2023
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