2NW8
 
 | | Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferrous heme and tryptophan. Northeast Structural Genomics Target XcR13. | | Descriptor: | MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, ... | | Authors: | Forouhar, F, Anderson, J.L.R, Mowat, C.G, Bruckmann, C, Thackray, S.J, Seetharaman, J, Ho, C.K, Ma, L.C, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-11-14 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
2NW9
 | | Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferrous heme and 6-fluoro-tryptophan. Northeast Structural Genomics Target XcR13 | | Descriptor: | 6-FLUORO-L-TRYPTOPHAN, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Forouhar, F, Anderson, J.L.R, Mowat, C.G, Bruckmann, C, Thackray, S.J, Seetharaman, J, Ho, C.K, Ma, L.C, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-11-14 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
2NW7
 | | Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferric heme. Northeast Structural Genomics Target XcR13 | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase | | Authors: | Forouhar, F, Anderson, J.L.R, Mowat, C.G, Hussain, A, Bruckmann, C, Thackray, S.J, Seetharaman, J, Tucker, T, Ho, C.K, Ma, L.C, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Chapman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-11-14 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
|
|
6J56
 | | Crystal structure of Myosin VI CBD in complex with Tom1 MBM | | Descriptor: | Peptide from Target of Myb protein 1, Unconventional myosin-VI | | Authors: | Hu, S, Pan, L. | | Deposit date: | 2019-01-10 | | Release date: | 2019-08-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Structure of Myosin VI/Tom1 complex reveals a cargo recognition mode of Myosin VI for tethering.
Nat Commun, 10, 2019
|
|
7XNE
 | | Crystal structure of CBP bromodomain liganded with Y08284 | | Descriptor: | CREB-binding protein, GLYCEROL, N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-[(1S)-1-oxidanylethyl]phenyl]-3-ethanoyl-7-methoxy-indolizine-1-carboxamide | | Authors: | Xiang, Q, Wang, C, Wu, T, Zhang, C, Hu, Q, Luo, G, Hu, J, Zhuang, X, Zou, L, Shen, H, Wu, X, Zhang, Y, Kong, X, Xu, Y. | | Deposit date: | 2022-04-28 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer.
J.Med.Chem., 65, 2022
|
|
7WJV
 | | Crystal structure of human liver FBPase complexed with an covalent inhibitor | | Descriptor: | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | | Authors: | Cao, H, Huang, Y, Ren, Y, Wan, J. | | Deposit date: | 2022-01-08 | | Release date: | 2022-07-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.724 Å) | | Cite: | N -Acylamino Saccharin as an Emerging Cysteine-Directed Covalent Warhead and Its Application in the Identification of Novel FBPase Inhibitors toward Glucose Reduction.
J.Med.Chem., 65, 2022
|
|
8CYO
 | | Nurr1 Covalently Bound to a Synthetic Ligand, 10.25, via a Disulfide Bond | | Descriptor: | 2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide, CHLORIDE ION, Nuclear receptor subfamily 4 group A member 2 | | Authors: | Bruning, J.M, Liu, J, England, P.M. | | Deposit date: | 2022-05-24 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Nurr1 Covalently Bound to a Synthetic Ligand, 10.25, via a Disulfide Bond
To Be Published
|
|
8EG6
 | | huCaspase-6 in complex with inhibitor 2a | | Descriptor: | (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | | Deposit date: | 2022-09-11 | | Release date: | 2023-05-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
|
|
8EG5
 | | huCaspase-6 in complex with inhibitor 3a | | Descriptor: | (3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form), 1,2-ETHANEDIOL, Caspase-6 subunit p11, ... | | Authors: | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | | Deposit date: | 2022-09-11 | | Release date: | 2023-05-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
|
|
2K1G
 | | Solution NMR structure of lipoprotein spr from Escherichia coli K12. Northeast Structural Genomics target ER541-37-162 | | Descriptor: | Lipoprotein spr | | Authors: | Aramini, J.M, Rossi, P, Zhao, L, Jiang, M, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Huang, Y.J, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-03-03 | | Release date: | 2008-03-18 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of the NlpC/P60 domain of lipoprotein Spr from Escherichia coli: structural evidence for a novel cysteine peptidase catalytic triad.
Biochemistry, 47, 2008
|
|
7WV9
 | | Allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 in complex with Gi protein | | Descriptor: | 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, ... | | Authors: | Xu, Z, Shao, Z. | | Deposit date: | 2022-02-10 | | Release date: | 2022-06-15 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1.
Nat.Chem.Biol., 18, 2022
|
|
3CBB
 | | Crystal Structure of Hepatocyte Nuclear Factor 4alpha in complex with DNA: Diabetes Gene Product | | Descriptor: | Hepatocyte Nuclear Factor 4-alpha promoter element DNA, Hepatocyte Nuclear Factor 4-alpha, DNA binding domain, ... | | Authors: | Lu, P, Rha, G.B, Melikishvili, M, Adkins, B.C, Fried, M.G, Chi, Y.I. | | Deposit date: | 2008-02-21 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of natural promoter recognition by a unique nuclear receptor, HNF4alpha. Diabetes gene product.
J.Biol.Chem., 283, 2008
|
|
3BSE
 | | Crystal structure analysis of a 16-base-pair B-DNA | | Descriptor: | CALCIUM ION, DNA (5'-D(*DA*DCP*DAP*DCP*DTP*DAP*DCP*DAP*DAP*DTP*DGP*DTP*DTP*DGP*DCP*DAP*DAP*DT)-3'), DNA (5'-D(*DG*DTP*DAP*DTP*DTP*DGP*DCP*DAP*DAP*DCP*DAP*DTP*DTP*DGP*DTP*DAP*DGP*DT)-3') | | Authors: | Narayana, N. | | Deposit date: | 2007-12-23 | | Release date: | 2008-12-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic Analysis of a Sex-Specific Enhancer Element: Sequence-Dependent DNA Structure, Hydration, and Dynamics
J.Mol.Biol., 385, 2009
|
|
3F0Q
 | | Staphylococcus aureus dihydrofolate reductase complexed with NADPH and 2,4-Diamino-5-[3-(3-methoxy-5-(2,6-dimethylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | | Descriptor: | 5-[(3S)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase | | Authors: | Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N. | | Deposit date: | 2008-10-25 | | Release date: | 2009-10-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Predicting resistance mutations using protein design algorithms.
Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
3DTP
 | | Tarantula heavy meromyosin obtained by flexible docking to Tarantula muscle thick filament Cryo-EM 3D-MAP | | Descriptor: | Myosin II regulatory light chain, Myosin light polypeptide 6, Myosin-11,Myosin-7 | | Authors: | Alamo, L, Wriggers, W, Pinto, A, Bartoli, F, Salazar, L, Zhao, F.Q, Craig, R, Padron, R. | | Deposit date: | 2008-07-15 | | Release date: | 2008-10-07 | | Last modified: | 2020-01-29 | | Method: | ELECTRON MICROSCOPY (20 Å) | | Cite: | Three-Dimensional Reconstruction of Tarantula Myosin Filaments Suggests How Phosphorylation May Regulate Myosin Activity
J.Mol.Biol., 384, 2008
|
|
3JAX
 | | Heavy meromyosin from Schistosoma mansoni muscle thick filament by negative stain EM | | Descriptor: | myosin 2 heavy chain, myosin regulatory light chain, smooth muscle myosin essential light chain | | Authors: | Sulbaran, G, Alamo, L, Pinto, A, Marquez, G, Mendez, F, Padron, R, Craig, R. | | Deposit date: | 2015-07-03 | | Release date: | 2015-10-07 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (23 Å) | | Cite: | An invertebrate smooth muscle with striated muscle myosin filaments.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
2HEQ
 | | NMR Structure of Bacillus subtilis protein YorP, Northeast Structural Genomics Target SR399. | | Descriptor: | YorP protein | | Authors: | Ramelot, T.A, Cort, J.R, Wang, D, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.M, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-06-21 | | Release date: | 2006-08-15 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | NMR Structure of Bacillus subtilis protein YorP, Northeast Structural Genomics Target SR399.
To be Published
|
|
2HJQ
 | | NMR Structure of Bacillus Subtilis Protein YqbF, Northeast Structural Genomics Target SR449 | | Descriptor: | Hypothetical protein yqbF | | Authors: | Ding, K, Ramelot, T.A, Cort, J.R, Wang, D, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-06-30 | | Release date: | 2007-06-05 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | NMR Structure of Bacillus Subtilis Protein YqbF, Northeast Structural Genomics Target SR449
TO BE PUBLISHED
|
|
7XND
 | | Crystal structure of Phosphomevalonate kinase from Silkworm | | Descriptor: | GLYCEROL, Phosphomevalonate kinase | | Authors: | Guo, P.C, Zhang, H. | | Deposit date: | 2022-04-28 | | Release date: | 2023-05-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural insights into the substrate binding of phosphomevalonate kinase from the silkworm, Bombyx mori.
Insect Biochem.Mol.Biol., 150, 2022
|
|
7W27
 | | Crystal structure of BEND3-BEN4-DNA complex | | Descriptor: | BEN domain-containing protein 3, DNA (5'-D(P*GP*GP*AP*CP*CP*CP*AP*CP*GP*CP*AP*GP*C)-3'), DNA (5'-D(P*GP*GP*CP*TP*GP*CP*GP*TP*GP*GP*GP*TP*C)-3') | | Authors: | Zheng, L, Ren, A. | | Deposit date: | 2021-11-22 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Distinct structural bases for sequence-specific DNA binding by mammalian BEN domain proteins.
Genes Dev., 36, 2022
|
|
2KY9
 | | Solution NMR Structure of ydhK C-terminal Domain from B.subtilis, Northeast Structural Genomics Consortium Target Target SR518 | | Descriptor: | Uncharacterized protein ydhK | | Authors: | Eletsky, A, Sukumaran, D.K, Lee, H, Lee, D, Ciccosanti, C, Janjua, H, Liu, J, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-05-21 | | Release date: | 2010-07-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The copBL operon protects Staphylococcus aureus from copper toxicity: CopL is an extracellular membrane-associated copper-binding protein.
J.Biol.Chem., 294, 2019
|
|
2K1H
 | | Solution NMR structure of SeR13 from Staphylococcus epidermidis. Northeast Structural Genomics Consortium target SeR13 | | Descriptor: | Uncharacterized protein SeR13 | | Authors: | Lee, H, Wylie, G, Bansal, S, Wang, X, Shastry, R, Jiang, M, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Prestegard, J.H, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-03-05 | | Release date: | 2008-03-18 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of SeR13.
To be Published
|
|
2JVA
 | | NMR solution structure of peptidyl-tRNA hydrolase domain protein from Pseudomonas syringae pv. tomato. Northeast Structural Genomics Consortium target PsR211 | | Descriptor: | Peptidyl-tRNA hydrolase domain protein | | Authors: | Singarapu, K.K, Sukumaran, D, Parish, D, Eletsky, A, Zhang, Q, Zhao, L, Jiang, M, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Huang, Y.J, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-09-14 | | Release date: | 2007-10-02 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the peptidyl-tRNA hydrolase domain from Pseudomonas syringae expands the structural coverage of the hydrolysis domains of class 1 peptide chain release factors.
Proteins, 71, 2008
|
|
2JRT
 | | NMR solution structure of the protein coded by gene RHOS4_12090 of Rhodobacter sphaeroides. Northeast Structural Genomics target RhR5 | | Descriptor: | Uncharacterized protein | | Authors: | Wang, L, Chen, C, Nwosu, C, Cunningham, K, Owens, L, Ma, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-06-28 | | Release date: | 2007-08-21 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of the protein coded by gene RHOS4_12090 of Rhodobacter sphaeroides.
To be Published
|
|
2K3I
 | | Solution NMR structure of protein yiiS from Shigella flexneri. Northeast Structural Genomics Consortium target SfR90 | | Descriptor: | Uncharacterized protein yiiS | | Authors: | Mills, J.L, Singarapu, K.K, Eletsky, A, Sukumaran, D.K, Wang, D, Jiang, M, Ciccosanti, C, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-05-08 | | Release date: | 2008-07-08 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structures of proteins VPA0419 from Vibrio parahaemolyticus and yiiS from Shigella flexneri provide structural coverage for protein domain family PFAM 04175.
Proteins, 78, 2010
|
|
