6NLV
 
 | | Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines | | Descriptor: | 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Singh, S, McKenna, R. | | Deposit date: | 2019-01-09 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.794 Å) | | Cite: | Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer.
J.Med.Chem., 64, 2021
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4N8G
 | | Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0660), Target EFI-501075, with bound D-alanine-D-alanine | | Descriptor: | CHLORIDE ION, D-ALANINE, SULFATE ION, ... | | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-10-17 | | Release date: | 2013-10-30 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.502 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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4N3P
 | | Crystal Structure of De Novo designed Serine Hydrolase OSH18, Northeast Structural Genomics Consortium (NESG) Target OR396 | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | | Authors: | Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Mao, L, Xiao, R, Kogan, S, Maglaqui, M, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-10-07 | | Release date: | 2013-11-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Crystal Structure of De Novo designed Serine Hydrolase OSH18, Northeast Structural Genomics Consortium (NESG) Target OR396
To be Published
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6NSW
 | | X-ray reduced Catalase 3 From N.Crassa in Cpd I state (0.135 MGy) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Catalase-3, ... | | Authors: | Zarate-Romero, A, Rudino-Pinera, E, Stojanoff, V. | | Deposit date: | 2019-01-25 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state.
Arch.Biochem.Biophys., 666, 2019
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6NOC
 | | Crystal structure of FBF-2 repeat 5 mutant (C363A, R364Y) in complex with 8-nt RNA | | Descriptor: | Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*GP*UP*AP*AP*AP*UP*A)-3') | | Authors: | McCann, K, Wang, Y, Qiu, C, Hall, T.M.T. | | Deposit date: | 2019-01-16 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.849 Å) | | Cite: | Engineering a conserved RNA regulatory protein repurposes its biological function in vivo .
Elife, 8, 2019
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4NAR
 | | Crystal Structure of the Q9WYS3 protein from Thermotoga maritima. Northeast Structural Genomics Consortium Target VR152 | | Descriptor: | ACETATE ION, Putative uronate isomerase, SULFATE ION | | Authors: | Vorobiev, S, Lew, S, Seetharaman, J, Chi, Y, Xiao, R, Maglaqui, M, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-10-22 | | Release date: | 2013-11-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.388 Å) | | Cite: | Crystal Structure of the Q9WYS3 protein from Thermotoga maritima.
To be Published
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6NOL
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4NBN
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4N5D
 | | Tailoring Small Molecules for an Allosteric Site on Procaspase-6: Cpd1 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-amino-2,8-dimethylpyrido[2,3-d]pyrimidin-7(8H)-one, Caspase-6, ... | | Authors: | Murray, J.M, Steffek, M. | | Deposit date: | 2013-10-09 | | Release date: | 2013-12-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
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6NP5
 | | AAC-VIa bound to Kanamycin B | | Descriptor: | (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION | | Authors: | Kumar, P, Cuneo, M.J. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.353 Å) | | Cite: | Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad.
Angew.Chem.Int.Ed.Engl., 58, 2019
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4NAW
 | | Crystal Structure of Human ATG12~ATG5-ATG16N in complex with a fragment of ATG3 | | Descriptor: | Autophagy protein 5, Autophagy-related protein 16-1, SODIUM ION, ... | | Authors: | Metlagel, Z, Otomo, C, Takaesu, G, Otomo, T. | | Deposit date: | 2013-10-22 | | Release date: | 2013-11-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.195 Å) | | Cite: | Structural basis of ATG3 recognition by the autophagic ubiquitin-like protein ATG12.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4NEY
 | | Crystal Structure of an engineered protein with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR277 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Engineered protein OR277, tetrabutylphosphonium | | Authors: | Guan, R, Lin, Y.-R, Koga, N, Koga, R, Castellanos, J, Seetharaman, J, Maglaqui, M, Sahdev, S, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-10-30 | | Release date: | 2014-01-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.323 Å) | | Cite: | Northeast Structural Genomics Consortium Target OR277
To be published
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4NHA
 | | Structure of human Dicer Platform-PAZ-Connector Helix cassette in complex with 16-mer siRNA having 5'-p and UU-3' ends (3.4 Angstrom resolution) | | Descriptor: | 5'-R(P*GP*CP*GP*UP*UP*GP*GP*CP*CP*AP*AP*CP*GP*CP*UP*U)-3', Endoribonuclease Dicer | | Authors: | Simanshu, D.K, Tian, Y, Ma, J.-B, Patel, D.J. | | Deposit date: | 2013-11-04 | | Release date: | 2014-03-05 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.401 Å) | | Cite: | A Phosphate-Binding Pocket within the Platform-PAZ-Connector Helix Cassette of Human Dicer.
Mol.Cell, 53, 2014
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6NNA
 | | Human Fatty Acid Synthase Psi/KR Tri-Domain with NADPH and Compound 22 | | Descriptor: | 1,2-ETHANEDIOL, Fatty acid synthase,Fatty acid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Toms, A.V, Martin, M.W. | | Deposit date: | 2019-01-14 | | Release date: | 2019-02-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Discovery and optimization of novel piperazines as potent inhibitors of fatty acid synthase (FASN).
Bioorg. Med. Chem. Lett., 29, 2019
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6NNT
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6NO3
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4NIW
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6NOH
 | | Crystal structure of FBF-2 repeat 5 mutant (C363S, R364Y, Q367S) in complex with 8-nt RNA | | Descriptor: | 1,2-ETHANEDIOL, Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*GP*UP*AP*AP*AP*UP*A)-3') | | Authors: | McCann, K.L, Wang, Y, Qiu, C, Hall, T.M.T. | | Deposit date: | 2019-01-16 | | Release date: | 2019-01-30 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.249 Å) | | Cite: | Engineering a conserved RNA regulatory protein repurposes its biological function in vivo .
Elife, 8, 2019
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6NOY
 | | Structure of Cyanothece McdB | | Descriptor: | Maintenance of carboxysome positioning B protein, Mcsb | | Authors: | Schumacher, M.A. | | Deposit date: | 2019-01-16 | | Release date: | 2019-04-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.46 Å) | | Cite: | Structures of maintenance of carboxysome distribution Walker-box McdA and McdB adaptor homologs.
Nucleic Acids Res., 47, 2019
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6NII
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4NDY
 | | Human MHF1-MHF2 DNA complex | | Descriptor: | Centromere protein S, Centromere protein X, DNA (26-MER) | | Authors: | Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y. | | Deposit date: | 2013-10-28 | | Release date: | 2014-01-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (6.999 Å) | | Cite: | The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
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4NEZ
 | | Crystal Structure of an engineered protein with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR276 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Engineered protein OR276, tetrabutylphosphonium | | Authors: | Guan, R, Lin, Y.-R, Koga, N, Koga, R, Castellanos, J, Seetharaman, J, Maglaqui, M, Sahdev, S, Mao, L, Xiao, R, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-10-30 | | Release date: | 2014-01-15 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.395 Å) | | Cite: | Northeast Structural Genomics Consortium Target OR276
To be published
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4NGU
 | | Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio alaskensis G20 (Dde_1548), Target EFI-510103, with bound D-Ala-D-Ala | | Descriptor: | CHLORIDE ION, D-ALANINE, SULFATE ION, ... | | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-11-02 | | Release date: | 2013-12-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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4NIV
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4NKP
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