6MNZ
 
 | | Crystal structure of RibBX, a two domain 3,4-dihydroxy-2-butanone 4-phosphate synthase from A. baumannii. | | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, CHLORIDE ION, SULFATE ION | | Authors: | Wang, J, Gonzalez-Gutierrez, G, Giedroc, D.P. | | Deposit date: | 2018-10-03 | | Release date: | 2019-04-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Multi-metal Restriction by Calprotectin Impacts De Novo Flavin Biosynthesis in Acinetobacter baumannii.
Cell Chem Biol, 26, 2019
|
|
8WM0
 | | Crystal structure of TNIK-thiopeptide wTP3 complex | | Descriptor: | ADENOSINE, THIOPEPTIDE wTP3, TRAF2 and NCK-interacting protein kinase | | Authors: | Hamada, K, Kobayashi, S, Vinogradov, A.A, Zhang, Y, Goto, Y, Suga, H, Ogata, K, Sengoku, T. | | Deposit date: | 2023-10-01 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A Compact Reprogrammed Genetic Code for De Novo Discovery of Proteolytically Stable Thiopeptides.
J.Am.Chem.Soc., 2024
|
|
8GSA
 | |
5K7H
 | | Crystal structure of AibR in complex with the effector molecule isovaleryl coenzyme A | | Descriptor: | CHLORIDE ION, Isovaleryl-coenzyme A, NICKEL (II) ION, ... | | Authors: | Bock, T, Volz, C, Mueller, R, Blankenfeldt, W. | | Deposit date: | 2016-05-26 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The AibR-isovaleryl coenzyme A regulator and its DNA binding site - a model for the regulation of alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus.
Nucleic Acids Res., 45, 2017
|
|
5KEZ
 | |
5JD2
 | | SFX structure of corestreptavidin-selenobiotin complex | | Descriptor: | 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid, Streptavidin | | Authors: | DeMirci, H, Hunter, M.S, Boutet, S. | | Deposit date: | 2016-04-15 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Selenium single-wavelength anomalous diffraction de novo phasing using an X-ray-free electron laser.
Nat Commun, 7, 2016
|
|
5K7F
 | | Crystal structure of apo AibR | | Descriptor: | ACETATE ION, Transcriptional regulator, TetR family | | Authors: | Bock, T, Volz, C, Mueller, R, Blankenfeldt, W. | | Deposit date: | 2016-05-26 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The AibR-isovaleryl coenzyme A regulator and its DNA binding site - a model for the regulation of alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus.
Nucleic Acids Res., 45, 2017
|
|
6DHY
 | |
6DHZ
 | |
6BRR
 | |
3S2S
 | |
3S70
 | | Crystal structure of active caspase-6 bound with Ac-VEID-CHO solved by As-SAD | | Descriptor: | ACETATE ION, CACODYLATE ION, Caspase-6, ... | | Authors: | Su, X.-D, Liu, X, Wang, X.-J. | | Deposit date: | 2011-05-26 | | Release date: | 2012-04-11 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (1.625 Å) | | Cite: | Get phases from arsenic anomalous scattering: de novo SAD phasing of two protein structures crystallized in cacodylate buffer
Plos One, 6, 2011
|
|
6W3D
 | | Rd1NTF2_05 with long sheet | | Descriptor: | Rd1NTF2_05 | | Authors: | Bick, M.J, Basanta, B, Sankaran, B, Baker, D. | | Deposit date: | 2020-03-09 | | Release date: | 2020-04-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6W3G
 | | Rd1NTF2_04 with long sheet | | Descriptor: | Rd1NTF2_04 | | Authors: | Bick, M.J, Basanta, B, Sankaran, B, Baker, D. | | Deposit date: | 2020-03-09 | | Release date: | 2020-04-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | An enumerative algorithm for de novo design of proteins with diverse pocket structures.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6W3F
 | |
7BX2
 | |
6PLF
 | | Crystal structure of human PHGDH complexed with Compound 1 | | Descriptor: | 1,2-ETHANEDIOL, 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid, D-3-phosphoglycerate dehydrogenase | | Authors: | Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. | | Deposit date: | 2019-06-30 | | Release date: | 2019-07-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
|
|
6PLG
 | | Crystal structure of human PHGDH complexed with Compound 15 | | Descriptor: | (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid, D-3-phosphoglycerate dehydrogenase, D-MALATE | | Authors: | Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. | | Deposit date: | 2019-06-30 | | Release date: | 2019-07-24 | | Last modified: | 2019-09-04 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
|
|
6RA4
 | | Human ARGONAUTE-2 PAZ DOMAIN (214-347) IN COMPLEX WITH CGUGACUCU | | Descriptor: | GLYCEROL, Protein argonaute-2, RNA (5'-R(*CP*GP*UP*GP*AP*CP*UP*CP*U)-3') | | Authors: | Rondeau, J.-M, Bourgier, E. | | Deposit date: | 2019-04-05 | | Release date: | 2019-05-08 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | How to Computationally Stack the Deck for Hit-to-Lead Generation: In Silico Molecular Interaction Energy Profiling for de Novo siRNA Guide Strand Surrogate Selection.
J.Chem.Inf.Model., 59, 2019
|
|
8AP1
 | | Cryo-EM structure of yeast mitochondrial RNA polymerase transcription initiation complex with two GTP molecules poised for de novo initiation (IC2) | | Descriptor: | DNA-directed RNA polymerase, mitochondrial, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Goovaerts, Q, Shen, J, Patel, S.S, Das, K. | | Deposit date: | 2022-08-09 | | Release date: | 2023-08-23 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Structures illustrate step-by-step mitochondrial transcription initiation.
Nature, 622, 2023
|
|
4ONJ
 | | Crystal structure of the catalytic domain of ntDRM | | Descriptor: | DNA methyltransferase, SINEFUNGIN | | Authors: | Du, J, Patel, D.J. | | Deposit date: | 2014-01-28 | | Release date: | 2014-06-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.807 Å) | | Cite: | Molecular Mechanism of Action of Plant DRM De Novo DNA Methyltransferases.
Cell(Cambridge,Mass.), 157, 2014
|
|
4ONQ
 | |
4E8U
 | |
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: | 2023-12-06 | | 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
|
|
2N2T
 | | Solution NMR Structure of DE NOVO DESIGNED PROTEIN (FDA_60), Northeast Structural Genomics Consortium (NESG) Target OR303 | | Descriptor: | OR303 | | Authors: | Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Hamilton, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2015-05-14 | | Release date: | 2015-09-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of DE NOVO DESIGNED PROTEIN (FDA_60), Northeast Structural Genomics Consortium (NESG) Target OR303
To be Published
|
|
