2O3I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2o3i by Molmil](/molmil-images/mine/2o3i) | X-ray Crystal Structure of Protein CV_3147 from Chromobacterium violaceum. Northeast Structural Genomics Consortium Target CvR68. | Descriptor: | Hypothetical protein | Authors: | Vorobiev, S.M, Chen, Y, Seetharaman, J, Cunningham, K, Ma, L.C, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-12-01 | Release date: | 2006-12-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the hypothetical protein Q7NTB2_CHRVO from Chromobacterium violaceum To be Published
|
|
6JJ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jj3 by Molmil](/molmil-images/mine/6jj3) | BRD4 in complex with 138A | Descriptor: | 2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide, Bromodomain-containing protein 4 | Authors: | Xu, J, Chen, Y, Jiang, F, Zhu, J. | Deposit date: | 2019-02-25 | Release date: | 2020-01-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.718 Å) | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis. J.Med.Chem., 62, 2019
|
|
3V0U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v0u by Molmil](/molmil-images/mine/3v0u) | Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding | Descriptor: | Perakine reductase | Authors: | Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J. | Deposit date: | 2011-12-08 | Release date: | 2012-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding. J.Biol.Chem., 287, 2012
|
|
3QJS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qjs by Molmil](/molmil-images/mine/3qjs) | The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus | Descriptor: | CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ... | Authors: | Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A. | Deposit date: | 2011-01-30 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B). Biochim.Biophys.Acta, 1817, 2012
|
|
3QJQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qjq by Molmil](/molmil-images/mine/3qjq) | The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus | Descriptor: | CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ... | Authors: | Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A. | Deposit date: | 2011-01-30 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B). Biochim.Biophys.Acta, 1817, 2012
|
|
3QJU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qju by Molmil](/molmil-images/mine/3qju) | The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus | Descriptor: | CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ... | Authors: | Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A. | Deposit date: | 2011-01-30 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B). Biochim.Biophys.Acta, 1817, 2012
|
|
2A2P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2a2p by Molmil](/molmil-images/mine/2a2p) | Solution structure of SelM from Mus musculus | Descriptor: | Selenoprotein M | Authors: | Ferguson, A.D, Labunskyy, V.M, Fomenko, D.E, Chelliah, Y, Amezcua, C.A, Rizo, J, Gladyshev, V.N, Deisenhofer, J. | Deposit date: | 2005-06-22 | Release date: | 2005-12-06 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | NMR Structures of the Selenoproteins Sep15 and SelM Reveal Redox Activity of a New Thioredoxin-like Family. J.Biol.Chem., 281, 2006
|
|
2ASL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2asl by Molmil](/molmil-images/mine/2asl) | oxoG-modified Postinsertion Binary Complex | Descriptor: | 5'-D(*CP*T*AP*AP*CP*(8OG)P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3', 5'-D(*GP*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*(DOC))-3', CALCIUM ION, ... | Authors: | Rechkoblit, O, Malinina, L, Cheng, Y, Kuryavyi, V, Broyde, S, Geacintov, N.E, Patel, D.J. | Deposit date: | 2005-08-23 | Release date: | 2006-01-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Stepwise Translocation of Dpo4 Polymerase during Error-Free Bypass of an oxoG Lesion Plos Biol., 4, 2006
|
|
3V0S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v0s by Molmil](/molmil-images/mine/3v0s) | Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding | Descriptor: | 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Perakine reductase | Authors: | Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J. | Deposit date: | 2011-12-08 | Release date: | 2012-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.773 Å) | Cite: | Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding. J.Biol.Chem., 287, 2012
|
|
3UYI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uyi by Molmil](/molmil-images/mine/3uyi) | Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding | Descriptor: | Perakine reductase | Authors: | Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J. | Deposit date: | 2011-12-06 | Release date: | 2012-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.313 Å) | Cite: | Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding. J.Biol.Chem., 287, 2012
|
|
3V0T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3v0t by Molmil](/molmil-images/mine/3v0t) | Crystal Structure of Perakine Reductase, Founder Member of a Novel AKR Subfamily with Unique Conformational Changes during NADPH Binding | Descriptor: | 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Perakine Reductase | Authors: | Sun, L, Chen, Y, Rajendran, C, Panjikar, S, Mueller, U, Wang, M, Rosenthal, C, Mindnich, R, Penning, T.M, Stoeckigt, J. | Deposit date: | 2011-12-08 | Release date: | 2012-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.333 Å) | Cite: | Crystal structure of perakine reductase, founding member of a novel aldo-keto reductase (AKR) subfamily that undergoes unique conformational changes during NADPH binding. J.Biol.Chem., 287, 2012
|
|
2OA5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oa5 by Molmil](/molmil-images/mine/2oa5) | Crystal structure of ORF52 from Murid herpesvirus (MUHV-4) (Murine gammaherpesvirus 68) at 2.1 A resolution. Northeast Structural Genomics Consortium target MHR28B. | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Hypothetical protein BQLF2 | Authors: | Benach, J, Chen, Y, Seetharaman, J, Janjua, H, Xiao, R, Cunningham, K, Ma, L.-C, Ho, C.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-12-14 | Release date: | 2007-01-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and functional studies of the abundant tegument protein ORF52 from murine gammaherpesvirus 68. J.Biol.Chem., 282, 2007
|
|
6JPJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jpj by Molmil](/molmil-images/mine/6jpj) | Crystal structure of FGF401 in complex of FGFR4 | Descriptor: | Fibroblast growth factor receptor 4, N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide, SULFATE ION | Authors: | Zhou, Z, Chen, X, Chen, Y. | Deposit date: | 2019-03-27 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.638 Å) | Cite: | Characterization of FGF401 as a reversible covalent inhibitor of fibroblast growth factor receptor 4. Chem.Commun.(Camb.), 55, 2019
|
|
4IWM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4iwm by Molmil](/molmil-images/mine/4iwm) | Crystal Structure of the Conserved Hypothetical Protein MJ0927 from Methanocaldococcus jannaschii (in P21 form) | Descriptor: | UPF0135 protein MJ0927 | Authors: | Kuan, S.M, Chen, S.C, Yang, C.S, Chen, Y.R, Liu, Y.H, Chen, Y. | Deposit date: | 2013-01-24 | Release date: | 2014-01-29 | Last modified: | 2021-04-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of a conserved hypothetical protein MJ0927 from Methanocaldococcus jannaschii reveals a novel quaternary assembly in the Nif3 family. Biomed Res Int, 2014, 2014
|
|
2ATL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2atl by Molmil](/molmil-images/mine/2atl) | Unmodified Insertion Ternary Complex | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*T*AP*AP*CP*GP*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3', 5'-D(*GP*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*(DDG))-3', ... | Authors: | Rechkoblit, O, Malinina, L, Cheng, Y, Kuryavyi, V, Broyde, S, Geacintov, N.E, Patel, D.J. | Deposit date: | 2005-08-25 | Release date: | 2006-01-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Stepwise Translocation of Dpo4 Polymerase during Error-Free Bypass of an oxoG Lesion Plos Biol., 4, 2006
|
|
4JIS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jis by Molmil](/molmil-images/mine/4jis) | Crystal structure of ribitol 5-phosphate cytidylyltransferase (TarI) from Bacillus subtilis | Descriptor: | ribitol-5-phosphate cytidylyltransferase | Authors: | Yang, C.S, Chen, S.C, Chen, Y.R, Kuan, S.M, Liu, Y.H, Chen, Y. | Deposit date: | 2013-03-06 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.772 Å) | Cite: | Crystal structure of ribitol 5-phosphate cytidylyltransferase (TarI) from Bacillus subtilis To be Published
|
|
2P0Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2p0y by Molmil](/molmil-images/mine/2p0y) | Crystal structure of Q88YI3_LACPL from Lactobacillus plantarum. Northeast Structural Genomics Consortium target LpR6 | Descriptor: | Hypothetical protein lp_0780 | Authors: | Benach, J, Chen, Y, Seetharaman, J, Chi, K.H, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-03-01 | Release date: | 2007-03-27 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of Q88YI3_LACPL from Lactobacillus plantarum. To be Published
|
|
6LHD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lhd by Molmil](/molmil-images/mine/6lhd) | Crystal structure of p53/BCL-xL fusion complex | Descriptor: | ZINC ION, fusion protein of Bcl-2-like protein 1 and Isoform 6 of Cellular tumor antigen p53 | Authors: | Wei, H, Chen, Y. | Deposit date: | 2019-12-07 | Release date: | 2021-03-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Structural insight into the molecular mechanism of p53-mediated mitochondrial apoptosis. Nat Commun, 12, 2021
|
|
3QRF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qrf by Molmil](/molmil-images/mine/3qrf) | Structure of a domain-swapped FOXP3 dimer | Descriptor: | Forkhead box protein P3, MAGNESIUM ION, Nuclear factor of activated T-cells, ... | Authors: | Bandukwala, H.S, Wu, Y, Feurer, M, Chen, Y, Barbosa, B, Ghosh, S, Stroud, J.C, Benoist, C, Mathis, D, Rao, A, Chen, L. | Deposit date: | 2011-02-17 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of a Domain-Swapped FOXP3 Dimer on DNA and Its Function in Regulatory T Cells. Immunity, 34, 2011
|
|
4IWG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4iwg by Molmil](/molmil-images/mine/4iwg) | Crystal Structure of the Conserved Hypothetical Protein MJ0927 from Methanocaldococcus jannaschii (in C2221 form) | Descriptor: | UPF0135 protein MJ0927 | Authors: | Kuan, S.M, Chen, S.C, Yang, C.S, Chen, Y.R, Liu, Y.H, Chen, Y. | Deposit date: | 2013-01-23 | Release date: | 2014-01-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.472 Å) | Cite: | Crystal structure of a conserved hypothetical protein MJ0927 from Methanocaldococcus jannaschii reveals a novel quaternary assembly in the Nif3 family. Biomed Res Int, 2014, 2014
|
|
7EIL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7eil by Molmil](/molmil-images/mine/7eil) | BRD4-BD1 in complex with LT-909-110 | Descriptor: | Bromodomain-containing protein 4, N-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]ethanamide | Authors: | Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y. | Deposit date: | 2021-03-31 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of 1-(5-(1H-benzo[d]imidazole-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one derivatives as novel and potent bromodomain and extra-terminal (BET) inhibitors with anticancer efficacy Eur.J.Med.Chem., 227, 2022
|
|
2JWS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jws by Molmil](/molmil-images/mine/2jws) | Solution NMR structures of two designed proteins with 88% sequence identity but different fold and function | Descriptor: | Ga88 | Authors: | He, Y, Chen, Y, Alexander, P, Bryan, P, Orban, J. | Deposit date: | 2007-10-24 | Release date: | 2008-09-09 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | NMR structures of two designed proteins with high sequence identity but different fold and function Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
3R1G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r1g by Molmil](/molmil-images/mine/3r1g) | Structure Basis of Allosteric Inhibition of BACE1 by an Exosite-Binding Antibody | Descriptor: | Beta-secretase 1, FAB of YW412.8.31 antibody heavy chain, FAB of YW412.8.31 antibody light chain | Authors: | Wang, W, Rouge, L, Wu, P, Chiu, C, Chen, Y, Wu, Y, Watts, R.J. | Deposit date: | 2011-03-10 | Release date: | 2011-06-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Therapeutic Antibody Targeting BACE1 Inhibits Amyloid-{beta} Production in Vivo. Sci Transl Med, 3, 2011
|
|
2A4H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2a4h by Molmil](/molmil-images/mine/2a4h) | Solution structure of Sep15 from Drosophila melanogaster | Descriptor: | Selenoprotein Sep15 | Authors: | Ferguson, A.D, Labunskyy, V.M, Fomenko, D.E, Chelliah, Y, Amezcua, C.A, Rizo, J, Gladyshev, V.N, Deisenhofer, J. | Deposit date: | 2005-06-28 | Release date: | 2005-12-13 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | NMR Structures of the Selenoproteins Sep15 and SelM Reveal Redox Activity of a New Thioredoxin-like Family. J.Biol.Chem., 281, 2006
|
|
2P0V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2p0v by Molmil](/molmil-images/mine/2p0v) | Crystal structure of BT3781 protein from Bacteroides thetaiotaomicron, Northeast Structural Genomics Target BtR58 | Descriptor: | Hypothetical protein BT3781 | Authors: | Forouhar, F, Chen, Y, Seetharaman, J, Janjua, H, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-03-01 | Release date: | 2007-03-20 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of BT3781 protein from Bacteroides thetaiotaomicron. To be Published
|
|