3RN8
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5CGO
| Structure of quasiracemic Ala-Magainin 2 with a beta amino acid substitution at position 13 | Descriptor: | ACPC-13 derivative of Ala-Magainin 2, D-Ala-Magainin 2 | Authors: | Hayouka, Z, Thomas, N.C, Mortenson, D.E, Satyshur, K.A, Weisblum, B, Forest, K.T, Gellman, S.H. | Deposit date: | 2015-07-09 | Release date: | 2015-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Quasiracemate Crystal Structures of Magainin 2 Derivatives Support the Functional Significance of the Phenylalanine Zipper Motif. J.Am.Chem.Soc., 137, 2015
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3SNF
| Onconase, atomic resolution crystal structure | Descriptor: | ACETATE ION, Protein P-30, SULFATE ION | Authors: | Holloway, D.E, Singh, U.P, Shogen, K, Acharya, K.R. | Deposit date: | 2011-06-29 | Release date: | 2011-10-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal structure of Onconase at 1.1 angstrom resolution--insights into substrate binding and collective motion. Febs J., 278, 2011
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5C17
| Crystal structure of the mercury-bound form of MerB2 | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, MERCURY (II) ION, ... | Authors: | Wahba, H.M, Lecoq, L, Stevenson, M, Mansour, A, Cappadocia, L, Lafrance-Vanasse, J, Wilkinson, K.J, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | Deposit date: | 2015-06-13 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Structural and Biochemical Characterization of a Copper-Binding Mutant of the Organomercurial Lyase MerB: Insight into the Key Role of the Active Site Aspartic Acid in Hg-Carbon Bond Cleavage and Metal Binding Specificity. Biochemistry, 55, 2016
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4ZSM
| BACE crystal structure with bicyclic aminothiazine fragment | Descriptor: | (4aS,8aR)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine, Beta-secretase 1, GLYCEROL | Authors: | Timm, D.E. | Deposit date: | 2015-05-13 | Release date: | 2015-06-10 | Last modified: | 2015-06-17 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Preparation and biological evaluation of conformationally constrained BACE1 inhibitors. Bioorg.Med.Chem., 23, 2015
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4ZSQ
| BACE crystal structure with tricyclic aminothiazine inhibitor | Descriptor: | Beta-secretase 1, GLYCEROL, N-[(4S,4aS,6S,8aR)-10-aminohexahydro-3H-4,8a-(epithiomethenoazeno)isochromen-6(1H)-yl]-3-chlorobenzamide | Authors: | Timm, D.E. | Deposit date: | 2015-05-13 | Release date: | 2015-06-10 | Last modified: | 2015-06-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Preparation and biological evaluation of conformationally constrained BACE1 inhibitors. Bioorg.Med.Chem., 23, 2015
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5D85
| Staphyloferrin B precursor biosynthetic enzyme SbnA bound to aminoacrylate intermediate | Descriptor: | 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CITRATE ANION, GLYCEROL, ... | Authors: | Kobylarz, M.J, Grigg, J.C, Liu, Y, Lee, M.S.F, Heinrichs, D.E, Murphy, M.E.P. | Deposit date: | 2015-08-15 | Release date: | 2016-02-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Deciphering the Substrate Specificity of SbnA, the Enzyme Catalyzing the First Step in Staphyloferrin B Biosynthesis. Biochemistry, 55, 2016
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3QE0
| A Galpha-i1 P-loop mutation prevents transition to the activated state | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, KB752 peptide, ... | Authors: | Bosch, D.E, Willard, F.S, Kimple, A.J, Miley, M.J, Siderovski, D.P. | Deposit date: | 2011-01-19 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A P-loop Mutation in Galpha Subunits Prevents Transition to the Active State: Implications for G-protein Signaling in Fungal Pathogenesis Plos Pathog., 8, 2012
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3QGK
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5D86
| Staphyloferrin B precursor biosynthetic enzyme SbnA Y152F variant | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Kobylarz, M.J, Grigg, J.C, Liu, Y, Lee, M.S.F, Heinrichs, D.E, Murphy, M.E.P. | Deposit date: | 2015-08-15 | Release date: | 2016-02-03 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Deciphering the Substrate Specificity of SbnA, the Enzyme Catalyzing the First Step in Staphyloferrin B Biosynthesis. Biochemistry, 55, 2016
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5C0U
| Crystal structure of the copper-bound form of MerB mutant D99S | Descriptor: | Alkylmercury lyase, BROMIDE ION, COPPER (II) ION | Authors: | Wahba, H.M, Lecoq, L, Stevenson, M, Mansour, A, Cappadocia, L, Lafrance-Vanasse, J, Wilkinson, K.J, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | Deposit date: | 2015-06-12 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural and Biochemical Characterization of a Copper-Binding Mutant of the Organomercurial Lyase MerB: Insight into the Key Role of the Active Site Aspartic Acid in Hg-Carbon Bond Cleavage and Metal Binding Specificity. Biochemistry, 55, 2016
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5C23
| Parkin (S65DUblR0RBR) | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ... | Authors: | Kumar, A, Aguirre, J.D, Condos, T.E.C, Martinez-Torres, R.J, Chaugule, V.K, Toth, R, Sundaramoorthy, R, Mercier, P, Knebel, A, Spratt, D.E, Barber, K.R, Shaw, G.S, Walden, H. | Deposit date: | 2015-06-15 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Disruption of the autoinhibited state primes the E3 ligase parkin for activation and catalysis. Embo J., 34, 2015
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3QGA
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3REF
| Crystal structure of EhRho1 bound to GDP and Magnesium | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho-like small GTPase, ... | Authors: | Bosch, D.E, Qiu, C, Siderovski, D.P. | Deposit date: | 2011-04-04 | Release date: | 2011-09-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Unique structural and nucleotide exchange features of the Rho1 GTPase of Entamoeba histolytica. J.Biol.Chem., 286, 2011
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3TRW
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5D87
| Staphyloferrin B precursor biosynthetic enzyme SbnA Y152F/S185G variant | Descriptor: | MAGNESIUM ION, POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Kobylarz, M.J, Grigg, J.C, Liu, Y, Lee, M.S.F, Heinrichs, D.E, Murphy, M.E.P. | Deposit date: | 2015-08-15 | Release date: | 2016-02-03 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Deciphering the Substrate Specificity of SbnA, the Enzyme Catalyzing the First Step in Staphyloferrin B Biosynthesis. Biochemistry, 55, 2016
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3TJW
| Crystal Structure of Quasiracemic Villin Headpiece Subdomain Containing (F5Phe10) Substitution | Descriptor: | D-Villin-1, L-Villin-1, SULFATE ION | Authors: | Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T. | Deposit date: | 2011-08-25 | Release date: | 2012-01-25 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations. J.Am.Chem.Soc., 134, 2012
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3TND
| Crystal structure of Shigella flexneri VapBC toxin-antitoxin complex | Descriptor: | Antitoxin VapB, SODIUM ION, SULFATE ION, ... | Authors: | Dienemann, C, Boggild, A, Winther, K.S, Gerdes, K, Brodersen, D.E. | Deposit date: | 2011-09-01 | Release date: | 2011-11-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of the VapBC Toxin-Antitoxin Complex from Shigella flexneri Reveals a Hetero-Octameric DNA-Binding Assembly. J.Mol.Biol., 414, 2011
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3R7D
| Crystal Structure of Unliganded Aspartate Transcarbamoylase from Bacillus subtilis | Descriptor: | Aspartate carbamoyltransferase, PHOSPHATE ION | Authors: | Puleo, D.E, Harris, K.M, Cockrell, G.M, Kantrowitz, E.R. | Deposit date: | 2011-03-22 | Release date: | 2011-06-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.196 Å) | Cite: | Crystallographic Snapshots of the Complete Catalytic Cycle of the Unregulated Aspartate Transcarbamoylase from Bacillus subtilis. J.Mol.Biol., 411, 2011
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3RNN
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3TRV
| Crystal structure of quasiracemic villin headpiece subdomain containing (F5Phe17) substitution | Descriptor: | D-Villin-1, ISOPROPYL ALCOHOL, L-Villin-1, ... | Authors: | Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T. | Deposit date: | 2011-09-11 | Release date: | 2012-01-25 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations. J.Am.Chem.Soc., 134, 2012
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3TRY
| Crystal structure of racemic villin headpiece subdomain in space group I-4c2 | Descriptor: | D-Villin-1, SULFATE ION | Authors: | Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T. | Deposit date: | 2011-09-11 | Release date: | 2012-01-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations. J.Am.Chem.Soc., 134, 2012
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6TW3
| HumRadA2 in complex with Naphthyl-HPA fragment-peptide chimera | Descriptor: | (2~{S})-1-[(2~{S})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{H}-imidazol-4-yl)propanoyl]-~{N}-[(2~{S})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide, DNA repair and recombination protein RadA, PHOSPHATE ION | Authors: | Marsh, M.E, Fischer, G, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | Deposit date: | 2020-01-12 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.352 Å) | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death. Cell Chem Biol, 28, 2021
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4BCA
| MAMMALIAN ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE: Tyr578Phe mutant | Descriptor: | ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, CHLORIDE ION, ... | Authors: | Nenci, S, Piano, V, Rosati, S, Aliverti, A, Pandini, V, Fraaije, M.W, Heck, A.J.R, Edmondson, D.E, Mattevi, A. | Deposit date: | 2012-10-01 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Precursor of Ether Phospholipids is Synthesized by a Flavoenzyme Through Covalent Catalysis. Proc.Natl.Acad.Sci.USA, 109, 2012
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4B2I
| Humanised monomeric RadA in complex with indazole | Descriptor: | 1H-indazole, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | Deposit date: | 2012-07-16 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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