5EKY
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![BU of 5eky by Molmil](/molmil-images/mine/5eky) | Crystal structure of deoxyribose-phosphate aldolase from Escherichia coli (K58E-Y96W mutant) | Descriptor: | 1,3-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Deoxyribose-phosphate aldolase | Authors: | Classen, T, Dick, M, Pietruszka, J, Weiergraeber, O.H. | Deposit date: | 2015-11-04 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Mechanism-based inhibition of an aldolase at high concentrations of its natural substrate acetaldehyde: structural insights and protective strategies. Chem Sci, 7, 2016
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5EJE
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![BU of 5eje by Molmil](/molmil-images/mine/5eje) | Crystal structure of E. coli Adenylate kinase G56C/T163C double mutant in complex with Ap5a | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, COBALT (II) ION | Authors: | Sauer, U.H, Kovermann, M, Grundstrom, C, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2015-11-01 | Release date: | 2016-11-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for ligand binding to an enzyme by a conformational selection pathway. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5GWL
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![BU of 5gwl by Molmil](/molmil-images/mine/5gwl) | Structure of two CCTG repeats | Descriptor: | DNA (5'-D(*CP*CP*TP*GP*CP*CP*TP*G)-3'), SODIUM ION | Authors: | Guo, P, Lam, S.L. | Deposit date: | 2016-09-12 | Release date: | 2016-10-12 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Minidumbbell: A New Form of Native DNA Structure J.Am.Chem.Soc., 138, 2016
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5GWQ
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![BU of 5gwq by Molmil](/molmil-images/mine/5gwq) | Structure of two TTTA repeats | Descriptor: | DNA (5'-D(*TP*TP*TP*AP*TP*TP*TP*A)-3'), SODIUM ION | Authors: | Guo, P, Lam, S.L. | Deposit date: | 2016-09-13 | Release date: | 2016-10-12 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Minidumbbell: A New Form of Native DNA Structure J.Am.Chem.Soc., 138, 2016
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5H1V
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![BU of 5h1v by Molmil](/molmil-images/mine/5h1v) | Complex structure of TRIM24 PHD-bromodomain and inhibitor 6 | Descriptor: | 2-Hydrazino-1,3-benzothiazole-6-carbohydrazide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ... | Authors: | Liu, J. | Deposit date: | 2016-10-11 | Release date: | 2017-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network FEBS J., 284, 2017
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5H2S
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5G4W
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![BU of 5g4w by Molmil](/molmil-images/mine/5g4w) | S. enterica HisA mutant D7N, D10G, Dup13-15 (VVR) with substrate ProFAR | Descriptor: | GLYCEROL, HISA, [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | Authors: | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M. | Deposit date: | 2016-05-17 | Release date: | 2017-04-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5G5I
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![BU of 5g5i by Molmil](/molmil-images/mine/5g5i) | S. enterica HisA mutant D10G | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION | Authors: | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | Deposit date: | 2016-05-25 | Release date: | 2017-04-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5G1T
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![BU of 5g1t by Molmil](/molmil-images/mine/5g1t) | S. enterica HisA mutant dup13-15, D10G | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION | Authors: | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | Deposit date: | 2016-03-30 | Release date: | 2017-04-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5G2I
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![BU of 5g2i by Molmil](/molmil-images/mine/5g2i) | S. enterica HisA mutant Dup13-15(VVR) | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, PHOSPHATE ION, SODIUM ION | Authors: | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M. | Deposit date: | 2016-04-08 | Release date: | 2017-04-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5E1A
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![BU of 5e1a by Molmil](/molmil-images/mine/5e1a) | Structure of KcsA with L24C/R117C mutations | Descriptor: | POTASSIUM ION, antibody Fab fragment heavy chain, antibody Fab fragment light chain, ... | Authors: | Upadhyay, V, Kim, D.M, Nimigean, C.M. | Deposit date: | 2015-09-29 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Conformational heterogeneity in closed and open states of the KcsA potassium channel in lipid bicelles. J.Gen.Physiol., 148, 2016
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5E6B
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![BU of 5e6b by Molmil](/molmil-images/mine/5e6b) | Glucocorticoid receptor DNA binding domain - RELB NF-kB response element complex | Descriptor: | DNA (5'-D(*CP*CP*GP*GP*GP*GP*AP*AP*TP*TP*CP*CP*GP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*CP*GP*GP*AP*AP*TP*TP*CP*CP*CP*CP*GP*G)-3'), Glucocorticoid receptor, ... | Authors: | Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A. | Deposit date: | 2015-10-09 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements. Nat Commun, 9, 2018
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5E4W
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![BU of 5e4w by Molmil](/molmil-images/mine/5e4w) | Crystal structure of cpSRP43 chromodomains 2 and 3 in complex with the Alb3 tail | Descriptor: | CALCIUM ION, GLYCEROL, Inner membrane protein ALBINO3, ... | Authors: | Horn, A, Ahmed, Y.L, Wild, K, Sinning, I. | Deposit date: | 2015-10-07 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for cpSRP43 chromodomain selectivity and dynamics in Alb3 insertase interaction. Nat Commun, 6, 2015
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5HBL
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![BU of 5hbl by Molmil](/molmil-images/mine/5hbl) | Native rhodanese domain of YgaP prepared with 1mM DDT is S-nitrosylated | Descriptor: | Inner membrane protein YgaP | Authors: | Eichmann, C, Tzitzilonis, C, Nakamura, T, Kwiatkowski, W, Maslennikov, I, Choe, S, Lipton, S.A, Riek, R. | Deposit date: | 2015-12-31 | Release date: | 2016-08-10 | Last modified: | 2021-09-08 | Method: | X-RAY DIFFRACTION (1.617 Å) | Cite: | S-Nitrosylation Induces Structural and Dynamical Changes in a Rhodanese Family Protein. J.Mol.Biol., 428, 2016
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5HBP
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![BU of 5hbp by Molmil](/molmil-images/mine/5hbp) | The crystal of rhodanese domain of YgaP treated with SNOC | Descriptor: | Inner membrane protein YgaP | Authors: | Eichmann, C, Tzitzilonis, C, Nakamura, T, Kwiatkowski, W, Maslennikov, I, Choe, S, Lipton, S.A, Riek, R. | Deposit date: | 2016-01-01 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | S-Nitrosylation Induces Structural and Dynamical Changes in a Rhodanese Family Protein. J.Mol.Biol., 428, 2016
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5F8S
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![BU of 5f8s by Molmil](/molmil-images/mine/5f8s) | Crystal structure of a Crenomytilus grayanus lectin | Descriptor: | GLYCEROL, GalNAc/Gal-specific lectin | Authors: | Liao, J.-H, Huang, K.-F, Tu, I.-F, Lee, I.-M, Wu, S.-H. | Deposit date: | 2015-12-09 | Release date: | 2016-04-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | A Multivalent Marine Lectin from Crenomytilus grayanus Possesses Anti-cancer Activity through Recognizing Globotriose Gb3 J.Am.Chem.Soc., 138, 2016
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5FS4
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![BU of 5fs4 by Molmil](/molmil-images/mine/5fs4) | Bacteriophage AP205 coat protein | Descriptor: | AP205 BACTERIOPHAGE COAT PROTEIN | Authors: | Shishovs, M, Tars, K. | Deposit date: | 2015-12-29 | Release date: | 2016-09-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure of Ap205 Coat Protein Reveals Circular Permutation in Ssrna Bacteriophages. J.Mol.Biol., 428, 2016
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5FEP
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![BU of 5fep by Molmil](/molmil-images/mine/5fep) | HydE from T. maritima in complex with (2R,4R)-MeTDA | Descriptor: | (2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ... | Authors: | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | Deposit date: | 2015-12-17 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE. Nat.Chem., 8, 2016
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5FHL
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5FPZ
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![BU of 5fpz by Molmil](/molmil-images/mine/5fpz) | The structure of KdgF from Yersinia enterocolitica with malonate bound in the active site. | Descriptor: | MALONIC ACID, NICKEL (II) ION, PECTIN DEGRADATION PROTEIN | Authors: | Hobbs, J.K, Lee, S.M, Robb, M, Hof, F, Barr, C, Abe, K.T, Hehemann, J.H, McLean, R, Abbott, D.W, Boraston, A.B. | Deposit date: | 2015-12-03 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Kdgf, the Missing Link in the Microbial Metabolism of Uronate Sugars from Pectin and Alginate. Proc.Natl.Acad.Sci.USA, 113, 2016
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5HR3
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![BU of 5hr3 by Molmil](/molmil-images/mine/5hr3) | Crystal structure of thioredoxin N106A mutant | Descriptor: | COPPER (II) ION, ETHANOL, SULFATE ION, ... | Authors: | Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | Deposit date: | 2016-01-22 | Release date: | 2017-02-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.101 Å) | Cite: | Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants. Sci Rep, 7, 2017
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5H9S
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![BU of 5h9s by Molmil](/molmil-images/mine/5h9s) | Crystal Structure of Human Galectin-7 in Complex with TAZTDG | Descriptor: | (2~{S},3~{R},4~{S},5~{R},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, Galectin-7 | Authors: | Hsieh, T.J, Lin, H.Y, Lin, C.H. | Deposit date: | 2015-12-29 | Release date: | 2016-06-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.821 Å) | Cite: | Dual thio-digalactoside-binding modes of human galectins as the structural basis for the design of potent and selective inhibitors Sci Rep, 6, 2016
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1CDP
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5FXC
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![BU of 5fxc by Molmil](/molmil-images/mine/5fxc) | Crystal structure of glycopeptide 22 in complex with scFv-SM3 | Descriptor: | 1,2-ETHANEDIOL, GLYCOPEPTIDE, SCFV-SM3 | Authors: | Rojas-Ocariz, V, Companon, I, Aydillo, C, Castro-Lopez, J, Jimenez-Barbero, J, Hurtado-Guerrero, R, Avenoza, A, Zurbano, M.M, Corzana, F, Busto, J.H, Peregrina, J.M. | Deposit date: | 2016-02-29 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Design of Alpha-S-Glycopeptides Derived from Muc1 with a Flexible and Solvent Exposed Sugar Moiety J.Org.Chem., 81, 2016
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5G2H
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![BU of 5g2h by Molmil](/molmil-images/mine/5g2h) | S. enterica HisA with mutation L169R | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, GLYCEROL, SODIUM ION, ... | Authors: | Newton, M, Guo, X, Soderholm, A, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M. | Deposit date: | 2016-04-08 | Release date: | 2017-04-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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