3LIC
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4BNN
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![BU of 4bnn by Molmil](/molmil-images/mine/4bnn) | Crystal structure of S. aureus FabI in complex with NADP and 2-(2- cyanophenoxy)-5-hexylphenol | Descriptor: | 2-(2-CYANOPHENOXY)-5-HEXYLPHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | Deposit date: | 2013-05-15 | Release date: | 2013-06-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex. Biochemistry, 52, 2013
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4DEJ
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![BU of 4dej by Molmil](/molmil-images/mine/4dej) | Crystal structure of glutathione transferase-like protein IL0419 (Target EFI-501089) from Idiomarina loihiensis L2TR | Descriptor: | Glutathione S-transferase related protein | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Zencheck, W.D, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-01-20 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of Glutathione S-Transferase-Like Protein Il0419 from Idiomarina Loihiensis To be Published
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3LPB
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![BU of 3lpb by Molmil](/molmil-images/mine/3lpb) | Crystal structure of Jak2 complexed with a potent 2,8-diaryl-quinoxaline inhibitor | Descriptor: | N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide, Tyrosine-protein kinase JAK2 | Authors: | Tavares, G.A, Pissot-Soldermann, C, Gerspacher, M, Furet, P, Kroemer, M. | Deposit date: | 2010-02-05 | Release date: | 2010-04-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and SAR of potent, orally available 2,8-diaryl-quinoxalines as a new class of JAK2 inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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4PHU
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![BU of 4phu by Molmil](/molmil-images/mine/4phu) | Crystal structure of Human GPR40 bound to allosteric agonist TAK-875 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DIMETHYL SULFOXIDE, Free fatty acid receptor 1,Lysozyme, ... | Authors: | Srivastava, A, Yano, J.K, Hirozane, Y, Kefala, G, Snell, G, Lane, W, Gruswitz, F, Ivetac, A, Aertgeerts, K, Nguyen, J, Jennings, A, Okada, K. | Deposit date: | 2014-05-07 | Release date: | 2014-07-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.332 Å) | Cite: | High-resolution structure of the human GPR40 receptor bound to allosteric agonist TAK-875. Nature, 513, 2014
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4BVF
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![BU of 4bvf by Molmil](/molmil-images/mine/4bvf) | CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THIOALKYLIMIDATE FORMED FROM THIO-ACETYL-LYSINE ACS2-PEPTIDE CRYSTALLIZED IN PRESENCE OF THE INHIBITOR EX-527 | Descriptor: | 1,2-ETHANEDIOL, ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL, ... | Authors: | Gertz, M, Weyand, M, Steegborn, C. | Deposit date: | 2013-06-25 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism Proc.Natl.Acad.Sci.USA, 110, 2013
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3L6H
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![BU of 3l6h by Molmil](/molmil-images/mine/3l6h) | Crystal structure of lactococcal OpuAC in its closed-liganded conformation complexed with glycine betaine | Descriptor: | Betaine ABC transporter permease and substrate binding protein, CHLORIDE ION, TRIMETHYL GLYCINE | Authors: | Berntsson, R.P.A, Wolters, J.C, Gul, N, Karasawa, A, Thunnissen, A.M.W.H, Slotboom, D.J, Poolman, B. | Deposit date: | 2009-12-23 | Release date: | 2010-05-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ligand binding and crystal structures of the substrate-binding domain of the ABC transporter OpuA. Plos One, 5, 2010
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4DGN
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![BU of 4dgn by Molmil](/molmil-images/mine/4dgn) | Crystal Structure of maize CK2 in complex with the inhibitor luteolin | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Casein kinase II subunit alpha | Authors: | Lolli, G, Mazzorana, M, Battistutta, R. | Deposit date: | 2012-01-26 | Release date: | 2012-08-01 | Last modified: | 2013-01-02 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Inhibition of protein kinase CK2 by flavonoids and tyrphostins. A structural insight. Biochemistry, 51, 2012
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4C3F
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4DHP
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![BU of 4dhp by Molmil](/molmil-images/mine/4dhp) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
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3LIB
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3LKS
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![BU of 3lks by Molmil](/molmil-images/mine/3lks) | Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 1980 strain | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | Authors: | Gras, S, Kedzierski, L, Valkenburg, S.A, Liu, Y.C, Denholm, J, Richards, M, Rimmelzwaan, G.F, Doherty, P.C, Turner, S.J, Rossjohn, J, Kedzierska, K. | Deposit date: | 2010-01-27 | Release date: | 2010-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cross-reactive CD8+ T-cell immunity between the pandemic H1N1-2009 and H1N1-1918 influenza A viruses. Proc.Natl.Acad.Sci.USA, 107, 2010
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4CBH
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![BU of 4cbh by Molmil](/molmil-images/mine/4cbh) | Pestivirus NS3 helicase | Descriptor: | SERINE PROTEASE NS3 | Authors: | Tortorici, M.A, Duquerroy, S, Kwok, J, Vonrhein, C, Perez, J, Lamp, B, Bricogne, G, Rumenapf, T, Vachette, P, Rey, F.A. | Deposit date: | 2013-10-14 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | X-Ray Structure of the Pestivirus Ns3 Helicase and its Conformation in Solution. J.Virol., 89, 2015
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4PRE
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![BU of 4pre by Molmil](/molmil-images/mine/4pre) | Crystal structure of a HLA-B*35:08-HPVG-Q5 | Descriptor: | Beta-2-microglobulin, Epstein-Barr nuclear antigen 1, MHC class I antigen | Authors: | Yu Chih, L, Rossjohn, J, Gras, S. | Deposit date: | 2014-03-05 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Molecular Basis for the Interplay between T Cells, Viral Mutants, and Human Leukocyte Antigen Micropolymorphism. J.Biol.Chem., 289, 2014
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4GGA
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![BU of 4gga by Molmil](/molmil-images/mine/4gga) | |
4P86
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![BU of 4p86 by Molmil](/molmil-images/mine/4p86) | Structure of PyrR protein from Bacillus subtilis with GMP | Descriptor: | Bifunctional protein PyrR, GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE | Authors: | Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A. | Deposit date: | 2014-03-30 | Release date: | 2014-12-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Evolution of oligomeric state through allosteric pathways that mimic ligand binding. Science, 346, 2014
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4P5J
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![BU of 4p5j by Molmil](/molmil-images/mine/4p5j) | Crystal structure of the tRNA-like structure from Turnip Yellow Mosaic Virus (TYMV), a tRNA mimicking RNA | Descriptor: | IRIDIUM HEXAMMINE ION, MAGNESIUM ION, SPERMINE, ... | Authors: | Colussi, T.M, Costantino, D.A, Hammond, J.A, Ruehle, G.M, Nix, J.C, Kieft, J.S. | Deposit date: | 2014-03-17 | Release date: | 2014-06-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9912 Å) | Cite: | The structural basis of transfer RNA mimicry and conformational plasticity by a viral RNA. Nature, 511, 2014
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3LID
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![BU of 3lid by Molmil](/molmil-images/mine/3lid) | |
4C6U
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![BU of 4c6u by Molmil](/molmil-images/mine/4c6u) | Crystal structure of M. tuberculosis KasA in complex with TLM5 | Descriptor: | (5R)-3-acetyl-4-hydroxy-5-methyl-5-[(1Z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one, 1,2-ETHANEDIOL, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, ... | Authors: | Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. | Deposit date: | 2013-09-19 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis J.Biol.Chem., 288, 2013
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3LD9
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4C00
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![BU of 4c00 by Molmil](/molmil-images/mine/4c00) | Crystal structure of TamA from E. coli | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, ACETATE ION, CHLORIDE ION, ... | Authors: | Gruss, F, Zaehringer, F, Jakob, R.P, Burmann, B.M, Hiller, S, Maier, T. | Deposit date: | 2013-07-30 | Release date: | 2013-09-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The Structural Basis of Autotransporter Translocation by Tama Nat.Struct.Mol.Biol., 20, 2013
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4C6V
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![BU of 4c6v by Molmil](/molmil-images/mine/4c6v) | Crystal structure of M. tuberculosis KasA in complex with TLM5 (Soak for 5 min) | Descriptor: | (5R)-3-acetyl-4-hydroxy-5-methyl-5-[(1Z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one, 1,2-ETHANEDIOL, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, ... | Authors: | Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. | Deposit date: | 2013-09-19 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis J.Biol.Chem., 288, 2013
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4PRB
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![BU of 4prb by Molmil](/molmil-images/mine/4prb) | Crystal structure of a HLA-B*35:08-HPVG-A4 | Descriptor: | ACETATE ION, Beta-2-microglobulin, Epstein-Barr nuclear antigen 1, ... | Authors: | Yu Chih, L, Rossjohn, J, Gras, S. | Deposit date: | 2014-03-05 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Molecular Basis for the Interplay between T Cells, Viral Mutants, and Human Leukocyte Antigen Micropolymorphism. J.Biol.Chem., 289, 2014
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3LKP
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![BU of 3lkp by Molmil](/molmil-images/mine/3lkp) | Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 1972 strain | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | Authors: | Gras, S, Kedzierski, L, Valkenburg, S.A, Liu, Y.C, Denholm, J, Richards, M, Rimmelzwaan, G.F, Doherty, P.C, Turner, S.J, Rossjohn, J, Kedzierska, K. | Deposit date: | 2010-01-27 | Release date: | 2010-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cross-reactive CD8+ T-cell immunity between the pandemic H1N1-2009 and H1N1-1918 influenza A viruses. Proc.Natl.Acad.Sci.USA, 107, 2010
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4PN9
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![BU of 4pn9 by Molmil](/molmil-images/mine/4pn9) | A de novo designed hexameric coiled coil CC-Hex2 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CC-Hex2 | Authors: | Wood, C.W, Burton, A.J, Thomson, A.R, Brady, R.L, Woolfson, D.N. | Deposit date: | 2014-05-23 | Release date: | 2014-10-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Computational design of water-soluble alpha-helical barrels. Science, 346, 2014
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