4KQ0
 
 | | Crystal structure of double-helical CGG-repetitive RNA 19mer complexed with RSS p19 | | Descriptor: | 5'-R(P*GP*GP*CP*GP*GP*CP*GP*GP*CP*GP*GP*CP*GP*GP*CP*GP*GP*CP*C)-3', RNA silencing suppressor p19, SULFATE ION | | Authors: | Cabo, A, Katorcha, E, Tamjar, J, Popov, A.N, Malinina, L. | | Deposit date: | 2013-05-14 | | Release date: | 2014-05-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural insights into CNG-repetitive RNAs associated with human Trinucleotide Repeat Expansion Diseases (TREDs)
To be Published
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4KQ7
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4KRN
 | | Nanobody/VHH domain EgA1 | | Descriptor: | Nanobody/VHH domain EgA1, SULFATE ION | | Authors: | Ferguson, K.M, Schmitz, K.R. | | Deposit date: | 2013-05-16 | | Release date: | 2013-08-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.553 Å) | | Cite: | Structural Evaluation of EGFR Inhibition Mechanisms for Nanobodies/VHH Domains.
Structure, 21, 2013
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4KRR
 | | Crystal structure of Drosophila WntD N-terminal domain-linker (residues 31-240) | | Descriptor: | GLYCEROL, SODIUM ION, Wnt inhibitor of Dorsal protein | | Authors: | Chu, M.L.-H, Choi, H.-J, Ahn, V.E, Daniels, D.L, Nusse, R, Weis, W.I. | | Deposit date: | 2013-05-16 | | Release date: | 2013-07-10 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.124 Å) | | Cite: | Structural Studies of Wnts and Identification of an LRP6 Binding Site.
Structure, 21, 2013
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4KR7
 | | Crystal structure of a 4-thiouridine synthetase - RNA complex with bound ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Probable tRNA sulfurtransferase, ... | | Authors: | Neumann, P, Ficner, R, Lakomek, K. | | Deposit date: | 2013-05-16 | | Release date: | 2014-04-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.421 Å) | | Cite: | Crystal structure of a 4-thiouridine synthetase-RNA complex reveals specificity of tRNA U8 modification.
Nucleic Acids Res., 42, 2014
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4KS3
 | | Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | | Descriptor: | (3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase | | Authors: | Kerry, P.S, Russell, R.J.M. | | Deposit date: | 2013-05-17 | | Release date: | 2013-10-30 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
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4KS5
 | | Influenza neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | | Descriptor: | (3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase | | Authors: | Kerry, P.S, Russell, R.J.M. | | Deposit date: | 2013-05-17 | | Release date: | 2013-10-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.699 Å) | | Cite: | Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
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4KSQ
 | | Crystal Structure of Human B-raf bound to a DFG-out Inhibitor 5B | | Descriptor: | N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide, Serine/threonine-protein kinase B-raf | | Authors: | Yano, J.K, Masanori, O. | | Deposit date: | 2013-05-17 | | Release date: | 2013-07-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Discovery of a Selective Kinase Inhibitor (TAK-632) Targeting Pan-RAF Inhibition: Design, Synthesis, and Biological Evaluation of C-7-Substituted 1,3-Benzothiazole Derivatives.
J.Med.Chem., 56, 2013
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4KTO
 | | Crystal Structure Of a Putative Isovaleryl-CoA dehydrogenase (PSI-NYSGRC-012251) from Sinorhizobium meliloti 1021 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, isovaleryl-CoA dehydrogenase | | Authors: | Kumar, P.R, Ahmed, M, Attonito, J, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Glenn, A.S, Hammonds, J, Hillerich, B, Himmel, D, Love, J.D, Seidel, R, Stead, M, Toro, R, Wasserman, S.R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-05-20 | | Release date: | 2013-06-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.137 Å) | | Cite: | Crystal structure of a Putative Isovaleryl-CoA dehydrogenase from Sinorhizobium meliloti 1021
to be published
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4KTE
 | | Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE148, from non-human primate | | Descriptor: | GE148 Heavy Chain Fab, GE148 Light Chain Fab, GLYCEROL, ... | | Authors: | Poulsen, C, Tran, K, Stanfield, R, Wyatt, R.T. | | Deposit date: | 2013-05-20 | | Release date: | 2014-02-05 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4K4W
 | | Poliovirus polymerase elongation complex (r5+2_form) | | Descriptor: | RNA (5'-R(*UP*GP*UP*UP*CP*GP*AP*CP*GP*AP*GP*AP*GP*AP*GP*AP*CP*C)-3'), RNA (5'-R(P*GP*GP*GP*AP*GP*AP*UP*GP*AP*AP*AP*GP*UP*CP*UP*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*UP*CP*GP*UP*CP*GP*AP*AP*A)-3'), RNA-directed RNA polymerase 3D-POL | | Authors: | Gong, P, Peersen, O.B. | | Deposit date: | 2013-04-12 | | Release date: | 2013-05-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Structures of coxsackievirus, rhinovirus, and poliovirus polymerase elongation complexes solved by engineering RNA mediated crystal contacts.
Plos One, 8, 2013
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4K3S
 | | E. coli sliding clamp in P1 crystal space group | | Descriptor: | CALCIUM ION, DNA polymerase III subunit beta, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, ... | | Authors: | Yin, Z, Oakley, A.J. | | Deposit date: | 2013-04-11 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp
J.Med.Chem., 56, 2013
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4K5W
 | | Crystal structure of Staphylococcal nuclease variant V23M/L25F/T62F at cryogenic temperature | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, PHOSPHATE ION, ... | | Authors: | Caro, J.A, Flores, E, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | | Deposit date: | 2013-04-15 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Pressure effects in proteins
To be Published
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4K5V
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23T/L36A/V99T at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | | Deposit date: | 2013-04-15 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Cavities in proteins
To be Published
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4K61
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4K6F
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4K7G
 | | Crystal structure of a 3-hydroxyproline dehydratse from agrobacterium vitis, target efi-506470, with bound pyrrole 2-carboxylate, ordered active site | | Descriptor: | 3-hydroxyproline dehydratse, ACETATE ION, CITRIC ACID, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-04-17 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a 3-hydroxyproline dehydratse from agrobacterium vitis, target efi-506470, with bound pyrrole 2-carboxylate, ordered active site
To be Published
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4K8G
 | | Crystal structure of D-Mannonate dehydratase from Novosphingobium aromaticivorans mutant (V161A, R163A, K165G, L166A, Y167G, Y168A, E169G) | | Descriptor: | GLYCEROL, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme, ... | | Authors: | Lukk, T, Wichelecki, D, Gerlt, J.A, Nair, S.K. | | Deposit date: | 2013-04-18 | | Release date: | 2013-05-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystal structure of D-Mannonate dehydratase from Novosphingobium aromaticivorans mutant (V161A, R163A, K165G, L166A, Y167G, Y168A, E169G)
To be Published
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4K9I
 | | CRYSTAL STRUCTURE OF probable sugar kinase protein from Rhizobium etli CFN 42 complexed with Norharmane | | Descriptor: | ADENOSINE, DIMETHYL SULFOXIDE, Norharmane, ... | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-04-19 | | Release date: | 2013-05-22 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | CRYSTAL STRUCTURE OF probable sugar kinase protein from Rhizobium etli CFN 42 complexed with Norharmane
To be Published
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4KE0
 | | Crystal structure of BACE1 in complex with hydroxyethylamine-macrocyclic inhibitor 13 | | Descriptor: | (3S)-3-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-5-one, Beta-secretase 1, GLYCEROL, ... | | Authors: | Whittington, D.A, Long, A.M, Li, V. | | Deposit date: | 2013-04-25 | | Release date: | 2013-07-03 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity.
Bioorg.Med.Chem.Lett., 23, 2013
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4KA0
 | | Crystal structure of a putative thiol-disulfide oxidoreductase from Bacteroides vulgatus (target NYSGRC-011676), space group P21221 | | Descriptor: | CHLORIDE ION, Putative thiol-disulfide oxidoreductase | | Authors: | Vetting, M.W, Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R.D, Bonanno, J.B, Armstrong, R.N, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-04-21 | | Release date: | 2013-05-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of a putative thiol-disulfide oxidoreductase from Bacteroides vulgatus (target NYSGRC-011676), space group P21221
To be Published
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4KGX
 | | The R state structure of E. coli ATCase with CTP bound | | Descriptor: | Aspartate carbamoyltransferase, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Cockrell, G.M, Zheng, Y, Guo, W, Peterson, A.W, Kantrowitz, E.R. | | Deposit date: | 2013-04-29 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | New Paradigm for Allosteric Regulation of Escherichia coli Aspartate Transcarbamoylase.
Biochemistry, 52, 2013
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4KHP
 | | Structure of the Thermus thermophilus 30S ribosomal subunit in complex with de-6-MSA-pactamycin | | Descriptor: | 16S Ribosomal RNA, 30S Ribosomal protein S10, 30S Ribosomal protein S11, ... | | Authors: | Tourigny, D.S, Fernandez, I.S, Kelley, A.C, Ramakrishnan, V. | | Deposit date: | 2013-05-01 | | Release date: | 2013-06-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal Structure of a Bioactive Pactamycin Analog Bound to the 30S Ribosomal Subunit.
J.Mol.Biol., 425, 2013
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4KD3
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS L25A/V66A/I92A at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Caro, J.A, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | | Deposit date: | 2013-04-24 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Pressure effects in proteins
To be Published
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4KL0
 | | Crystal structure of the effector protein XOO4466 | | Descriptor: | CALCIUM ION, Putative uncharacterized protein | | Authors: | Yu, S, Rhee, S. | | Deposit date: | 2013-05-07 | | Release date: | 2013-10-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.598 Å) | | Cite: | Crystal structure of the effector protein XOO4466 from Xanthomonas oryzae
J.Struct.Biol., 184, 2013
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