2NW8
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![BU of 2nw8 by Molmil](/molmil-images/mine/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
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2NW9
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![BU of 2nw9 by Molmil](/molmil-images/mine/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
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2NW7
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![BU of 2nw7 by Molmil](/molmil-images/mine/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
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6J56
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![BU of 6j56 by Molmil](/molmil-images/mine/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
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7XNE
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![BU of 7xne by Molmil](/molmil-images/mine/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
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7WJV
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![BU of 7wjv by Molmil](/molmil-images/mine/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
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8CYO
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![BU of 8cyo by Molmil](/molmil-images/mine/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
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8EG6
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![BU of 8eg6 by Molmil](/molmil-images/mine/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
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8EG5
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![BU of 8eg5 by Molmil](/molmil-images/mine/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
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2K1G
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![BU of 2k1g by Molmil](/molmil-images/mine/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
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7WV9
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![BU of 7wv9 by Molmil](/molmil-images/mine/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
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3CBB
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![BU of 3cbb by Molmil](/molmil-images/mine/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
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3BSE
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![BU of 3bse by Molmil](/molmil-images/mine/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
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3F0Q
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![BU of 3f0q by Molmil](/molmil-images/mine/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
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3DTP
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![BU of 3dtp by Molmil](/molmil-images/mine/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
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3JAX
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![BU of 3jax by Molmil](/molmil-images/mine/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
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2HEQ
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![BU of 2heq by Molmil](/molmil-images/mine/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
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2HJQ
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![BU of 2hjq by Molmil](/molmil-images/mine/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
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7XND
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![BU of 7xnd by Molmil](/molmil-images/mine/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
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7W27
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![BU of 7w27 by Molmil](/molmil-images/mine/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
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2KY9
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![BU of 2ky9 by Molmil](/molmil-images/mine/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
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2K1H
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![BU of 2k1h by Molmil](/molmil-images/mine/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
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2JVA
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![BU of 2jva by Molmil](/molmil-images/mine/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
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2JRT
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![BU of 2jrt by Molmil](/molmil-images/mine/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
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2K3I
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![BU of 2k3i by Molmil](/molmil-images/mine/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
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