4RYJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ryj by Molmil](/molmil-images/mine/4ryj) | |
6ZBV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zbv by Molmil](/molmil-images/mine/6zbv) | Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor and sybody Sb_GlyT1#7 | Descriptor: | Sodium- and chloride-dependent glycine transporter 1,Sodium- and chloride-dependent glycine transporter 1, Sybody Sb_GlyT1#7, [5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone | Authors: | Shahsavar, A, Stohler, P, Bourenkov, G, Zimmermann, I, Siegrist, M, Guba, W, Pinard, E, Sinning, S, Seeger, M.A, Schneider, T.R, Dawson, R.J.P, Nissen, P. | Deposit date: | 2020-06-09 | Release date: | 2021-03-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural insights into the inhibition of glycine reuptake. Nature, 591, 2021
|
|
2PAQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2paq by Molmil](/molmil-images/mine/2paq) | Crystal structure of the 5'-deoxynucleotidase YfbR | Descriptor: | 5'-deoxynucleotidase YfbR | Authors: | Zimmerman, M.D, Chruszcz, M, Cymborowski, M, Kudritska, M, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-03-27 | Release date: | 2007-04-10 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insight into the mechanism of substrate specificity and catalytic activity of an HD-domain phosphohydrolase: the 5'-deoxyribonucleotidase YfbR from Escherichia coli. J.Mol.Biol., 378, 2008
|
|
6FTS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fts by Molmil](/molmil-images/mine/6fts) | TETR(D) N82A MUTANT IN COMPLEX WITH PEG4 | Descriptor: | CHLORIDE ION, TETRAETHYLENE GLYCOL, Tetracycline repressor protein class D | Authors: | Hinrichs, W, Palm, G.J, Berndt, L, Girbardt, B. | Deposit date: | 2018-02-23 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Thermodynamics, cooperativity and stability of the tetracycline repressor (TetR) upon tetracycline binding. Biochim Biophys Acta Proteins Proteom, 1868, 2020
|
|
6Z0L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z0l by Molmil](/molmil-images/mine/6z0l) | Het-N2 - De novo designed three-helix heterodimer with Cysteine at the N2 position of the alpha-helix | Descriptor: | CADMIUM ION, Cys-N2 Strand, Positive Strand, ... | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V. | Deposit date: | 2020-05-09 | Release date: | 2021-03-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Acyl Transfer Catalytic Activity in De Novo Designed Protein with N-Terminus of alpha-Helix As Oxyanion-Binding Site. J.Am.Chem.Soc., 143, 2021
|
|
6Z0M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z0m by Molmil](/molmil-images/mine/6z0m) | Het-Ncap - De novo designed three-helix heterodimer with Cysteine at the Ncap position of the alpha-helix | Descriptor: | Cys-Ncap strand, Positive Strand, SULFATE ION, ... | Authors: | McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V. | Deposit date: | 2020-05-09 | Release date: | 2021-03-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Acyl Transfer Catalytic Activity in De Novo Designed Protein with N-Terminus of alpha-Helix As Oxyanion-Binding Site. J.Am.Chem.Soc., 143, 2021
|
|
5Z5H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z5h by Molmil](/molmil-images/mine/5z5h) | Crystal structure of a thermostable glycoside hydrolase family 43 {beta}-1,4-xylosidase from Geobacillus thermoleovorans IT-08 in complex with D-xylose | Descriptor: | Beta-xylosidase, CALCIUM ION, alpha-D-xylopyranose | Authors: | Rohman, A, van Oosterwijk, N, Puspaningsih, N.N.T, Dijkstra, B.W. | Deposit date: | 2018-01-18 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of product inhibition by arabinose and xylose of the thermostable GH43 beta-1,4-xylosidase from Geobacillus thermoleovorans IT-08. PLoS ONE, 13, 2018
|
|
4TT2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tt2 by Molmil](/molmil-images/mine/4tt2) | Crystal structure of ATAD2A bromodomain complexed with H4(1-20)K5Ac peptide | Descriptor: | ATPase family AAA domain-containing protein 2, Histone H4K5Ac | Authors: | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | Deposit date: | 2014-06-19 | Release date: | 2014-12-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2. Biochem.J., 466, 2015
|
|
6ZBM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zbm by Molmil](/molmil-images/mine/6zbm) | Structure of the D125N mutant of the catalytic domain of the Bacillus circulans alpha-1,6 Mannanase in complex with an alpha-1,6-alpha-manno-cyclophellitol carbasugar-stabilised trisaccharide inhibitor | Descriptor: | (1~{R},2~{R},3~{R},4~{S},5~{R})-4-[[(1~{S},2~{S},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol, 1,2-ETHANEDIOL, Alpha-1,6-mannanase, ... | Authors: | Davies, G.J, Offen, W.A. | Deposit date: | 2020-06-08 | Release date: | 2021-04-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Development of Non-Hydrolysable Oligosaccharide Activity-Based Inactivators for Endoglycanases: A Case Study on alpha-1,6 Mannanases. Chemistry, 27, 2021
|
|
6ZBX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zbx by Molmil](/molmil-images/mine/6zbx) | Structure of the catalytic domain of the Bacillus circulans alpha-1,6 Mannanase in complex with an alpha-1,6- alpha-manno-cyclophellitol carbasugar-stabilised trisaccharide inhibitor | Descriptor: | (1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, 1,2-ETHANEDIOL, ... | Authors: | Schroeder, S, Offen, W.A, Jin, Y, De Boer, C, Enoterpi, J, Marino, L, van der Marel, G.A, Codee, J.D.C, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2020-06-09 | Release date: | 2021-04-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Development of Non-Hydrolysable Oligosaccharide Activity-Based Inactivators for Endoglycanases: A Case Study on alpha-1,6 Mannanases. Chemistry, 27, 2021
|
|
6ZD2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zd2 by Molmil](/molmil-images/mine/6zd2) | Structure of apo telomerase from Candida Tropicalis truncated from C-terminal domain | Descriptor: | SODIUM ION, Telomerase reverse transcriptase | Authors: | Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G. | Deposit date: | 2020-06-13 | Release date: | 2021-04-28 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡. Nucleic Acids Res., 49, 2021
|
|
6ZDQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zdq by Molmil](/molmil-images/mine/6zdq) | Structure of telomerase from Candida albicans in complexe with TWJ fragment of telomeric RNA | Descriptor: | RNA, Telomerase reverse transcriptase | Authors: | Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G. | Deposit date: | 2020-06-15 | Release date: | 2021-04-28 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡. Nucleic Acids Res., 49, 2021
|
|
6ZD1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zd1 by Molmil](/molmil-images/mine/6zd1) | Structure of apo telomerase from Candida Tropicalis | Descriptor: | Telomerase reverse transcriptase | Authors: | Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G. | Deposit date: | 2020-06-13 | Release date: | 2021-04-28 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡. Nucleic Acids Res., 49, 2021
|
|
6ZDU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zdu by Molmil](/molmil-images/mine/6zdu) | Structure of telomerase from Candida albicans in complexe with TWJ fragment of telomeric RNA | Descriptor: | Chains: C,D, Telomerase reverse transcriptase | Authors: | Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G. | Deposit date: | 2020-06-15 | Release date: | 2021-04-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡. Nucleic Acids Res., 49, 2021
|
|
4N14
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n14 by Molmil](/molmil-images/mine/4n14) | Crystal structure of Cdc20 and apcin complex | Descriptor: | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl [(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate, Cell division cycle protein 20 homolog | Authors: | Luo, X, Tian, W, Yu, H. | Deposit date: | 2013-10-03 | Release date: | 2014-08-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synergistic blockade of mitotic exit by two chemical inhibitors of the APC/C. Nature, 514, 2014
|
|
6ZD6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zd6 by Molmil](/molmil-images/mine/6zd6) | Structure of apo telomerase from Candida Tropicalis | Descriptor: | Telomerase reverse transcriptase | Authors: | Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G. | Deposit date: | 2020-06-13 | Release date: | 2021-04-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡. Nucleic Acids Res., 49, 2021
|
|
2P37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2p37 by Molmil](/molmil-images/mine/2p37) | Crystal structure of a lectin from Canavalia maritima seeds (CML) in complex with man1-3man-OMe | Descriptor: | CALCIUM ION, Concanavalin A, MANGANESE (II) ION, ... | Authors: | Moreno, F.B.M.B, Bezerra, G.A, Oliveira, T.M, Souza, E.P, Rocha, B.A.M, Benevides, R.G, Delatorre, P, Cavada, B.S, de Azevedo Jr, W. | Deposit date: | 2007-03-08 | Release date: | 2007-11-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: New insights into the understanding of the structure-biological activity relationship in legume lectins. J.Struct.Biol., 160, 2007
|
|
4N33
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n33 by Molmil](/molmil-images/mine/4n33) | Structure of langerin CRD complexed with GlcNAc-beta1-3Gal-beta1-4Glc-beta-CH2CH2N3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, C-type lectin domain family 4 member K, ... | Authors: | Feinberg, H, Rowntree, T.J.W, Tan, S.L.W, Drickamer, K, Weis, W.I, Taylor, M.E. | Deposit date: | 2013-10-06 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Common polymorphisms in human langerin change specificity for glycan ligands. J.Biol.Chem., 288, 2013
|
|
6ZBW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zbw by Molmil](/molmil-images/mine/6zbw) | Structure of the D125N mutant of the catalytic domain of the Bacillus circulans alpha-1,6 Mannanase in complex with an alpha-1,6-alpha-manno-cyclophellitol trisaccharide inhibitor | Descriptor: | (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, 1,2-ETHANEDIOL, Alpha-1,6-mannanase, ... | Authors: | Davies, G.J, Offen, W.A. | Deposit date: | 2020-06-09 | Release date: | 2021-04-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Development of Non-Hydrolysable Oligosaccharide Activity-Based Inactivators for Endoglycanases: A Case Study on alpha-1,6 Mannanases. Chemistry, 27, 2021
|
|
6ZDP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zdp by Molmil](/molmil-images/mine/6zdp) | Structure of telomerase from Candida Tropicalis in complexe with TWJ fragment of telomeric RNA | Descriptor: | Chains: B, POTASSIUM ION, Telomerase reverse transcriptase | Authors: | Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G. | Deposit date: | 2020-06-15 | Release date: | 2021-04-28 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡. Nucleic Acids Res., 49, 2021
|
|
2P6X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2p6x by Molmil](/molmil-images/mine/2p6x) | Crystal structure of human tyrosine phosphatase PTPN22 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 22 | Authors: | Ugochukwu, E, Salah, E, Barr, A, Shrestha, L, Alfano, I, Burgess-Brown, N, King, O, Umeano, C, Papagrigoriou, E, Pike, A.C.W, Bunkoczi, G, Turnbull, A, Uppenberg, J, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-03-19 | Release date: | 2007-04-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome. Cell(Cambridge,Mass.), 136, 2009
|
|
6E0R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e0r by Molmil](/molmil-images/mine/6e0r) | hALK in complex with compound 7 N-((1S)-1-(5-fluoropyridin-2-yl)ethyl)-1-(5-methyl-1H-pyrazol-3-yl)-3-(oxetan-3-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-6-amine | Descriptor: | ALK tyrosine kinase receptor, N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-6-amine | Authors: | Lane, W, Saikatendu, K. | Deposit date: | 2018-07-06 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors. J.Med.Chem., 62, 2019
|
|
3R0H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r0h by Molmil](/molmil-images/mine/3r0h) | Structure of INAD PDZ45 in complex with NG2 peptide | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Inactivation-no-after-potential D protein, ... | Authors: | Wei, Z, Liu, W, Zhang, M. | Deposit date: | 2011-03-08 | Release date: | 2011-11-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The INAD scaffold is a dynamic, redox-regulated modulator of signaling in the Drosophila eye Cell(Cambridge,Mass.), 145, 2011
|
|
8H0O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8h0o by Molmil](/molmil-images/mine/8h0o) | Crystal structure of human serum albumin and ruthenium PZA complex adduct | Descriptor: | Albumin, CHLORIDE ION, NITRIC OXIDE, ... | Authors: | Gong, W.J, Wang, Y, Bai, H.H, Wang, W.M, Wang, H.F. | Deposit date: | 2022-09-30 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.479 Å) | Cite: | Crystal structure of human serum albumin and ruthenium PZA complex adduct To Be Published
|
|
6YSX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ysx by Molmil](/molmil-images/mine/6ysx) | Thrombin in complex with 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide (j80) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin variant-2, ... | Authors: | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | Deposit date: | 2020-04-23 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Thrombin in complex with 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide (j80) To be published
|
|