2H49
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h49 by Molmil](/molmil-images/mine/2h49) | |
2JSE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jse by Molmil](/molmil-images/mine/2jse) | |
1EET
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1eet by Molmil](/molmil-images/mine/1eet) | HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH THE INHIBITOR MSC204 | Descriptor: | 1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-CYCLOPROPYL]-UREA, HIV-1 REVERSE TRANSCRIPTASE | Authors: | Hogberg, M, Sahlberg, C, Engelhardt, P, Noreen, R, Kangasmetsa, J, Johansson, N.G, Oberg, B, Vrang, L, Zhang, H, Sahlberg, B.L, Unge, T, Lovgren, S, Fridborg, K, Backbro, K. | Deposit date: | 2000-02-03 | Release date: | 2001-02-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Urea-PETT compounds as a new class of HIV-1 reverse transcriptase inhibitors. 3. Synthesis and further structure-activity relationship studies of PETT analogues. J.Med.Chem., 42, 1999
|
|
2Z0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2z0f by Molmil](/molmil-images/mine/2z0f) | |
2Y8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2y8c by Molmil](/molmil-images/mine/2y8c) | Plasmodium falciparum dUTPase in complex with a trityl ligand | Descriptor: | (2S)-2-[(2,4-dioxopyrimidin-1-yl)methyl]-N-(2-hydroxyethyl)-4-trityloxy-butanamide, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE, SULFATE ION | Authors: | Baragana, B, McCarthy, O, Sanchez, P, Bosch, C, Kaiser, M, Brun, R, Whittingham, J.L, Roberts, S, Zhou, X.-X, Wilson, K.S, Johansson, N.G, Gonzalez-Pacanowska, D, Gilbert, I.H. | Deposit date: | 2011-02-04 | Release date: | 2012-03-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Beta-Branched Acyclic Nucleoside Analogues as Inhibitors of Plasmodium Falciparum Dutpase Bioorg.Med.Chem., 19, 2011
|
|
6QU9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qu9 by Molmil](/molmil-images/mine/6qu9) | Fab fragment of an antibody that inhibits polymerisation of alpha-1-antitrypsin | Descriptor: | FAB 4B12 heavy chain, FAB 4B12 light chain, GLYCEROL, ... | Authors: | Jagger, A.M, Heyer-Chauhan, N, Lomas, D.A, Irving, J.A. | Deposit date: | 2019-02-26 | Release date: | 2020-03-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structural basis for Z alpha 1 -antitrypsin polymerization in the liver. Sci Adv, 6, 2020
|
|
8HJE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hje by Molmil](/molmil-images/mine/8hje) | Vismodegib binds to the catalytical domain of human Ubiquitin-Specific Protease 28 | Descriptor: | 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, Ubiquitin carboxyl-terminal hydrolase 28 | Authors: | Shi, L, Wang, H, Xu, Z, Xiong, B, Zhang, N. | Deposit date: | 2022-11-23 | Release date: | 2023-05-03 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure-based discovery of potent USP28 inhibitors derived from Vismodegib. Eur.J.Med.Chem., 254, 2023
|
|
4ZLK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zlk by Molmil](/molmil-images/mine/4zlk) | Crystal structure of mouse myosin-5a in complex with calcium-bound calmodulin | Descriptor: | CALCIUM ION, Calmodulin, Unconventional myosin-Va | Authors: | Shen, M, Zhang, N, Zheng, S, Zhang, W.-B, Zhang, H.-M, Lu, Z, Su, Q.P, Sun, Y, Ye, K, Li, X.-D. | Deposit date: | 2015-05-01 | Release date: | 2016-05-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Structural basis for calcium regulation of myosin 5 motor function To Be Published
|
|
3ML5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ml5 by Molmil](/molmil-images/mine/3ml5) | Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 7, ZINC ION | Authors: | Di Fiore, A, Truppo, E, Supuran, C.T, Alterio, V, Dathan, N, Bootorabi, F, Parkkila, S, Monti, S.M, De Simone, G. | Deposit date: | 2010-04-16 | Release date: | 2011-03-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide Bioorg.Med.Chem.Lett., 20, 2010
|
|
7CLF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7clf by Molmil](/molmil-images/mine/7clf) | PigF with SAH | Descriptor: | ACETATE ION, Methyltransferase domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Qiu, S, Xu, D, Han, N, Sun, B, Ran, T, Wang, W. | Deposit date: | 2020-07-20 | Release date: | 2021-07-28 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.982 Å) | Cite: | Crystal structures of PigF, an O-methyltransferase involved in the prodigiosin synthetic pathway, reveal an induced-fit substrate-recognition mechanism. Iucrj, 9, 2022
|
|
7CLU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7clu by Molmil](/molmil-images/mine/7clu) | PigF with SAH | Descriptor: | ACETATE ION, GLYCEROL, Methyltransferase domain-containing protein | Authors: | Qiu, S, Xu, D, Han, N, Sun, B, Ran, T, Wang, W. | Deposit date: | 2020-07-22 | Release date: | 2021-07-28 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of PigF, an O-methyltransferase involved in the prodigiosin synthetic pathway, reveal an induced-fit substrate-recognition mechanism. Iucrj, 9, 2022
|
|
4W8F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4w8f by Molmil](/molmil-images/mine/4w8f) | Crystal structure of the dynein motor domain in the AMPPNP-bound state | Descriptor: | Dynein heavy chain lysozyme chimera, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Cheng, H.-C, Bhabha, G, Zhang, N, Vale, R.D. | Deposit date: | 2014-08-24 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.541 Å) | Cite: | Allosteric communication in the Dynein motor domain. Cell, 159, 2014
|
|
7M5Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m5z by Molmil](/molmil-images/mine/7m5z) | Crystal Structure of the MerTK Kinase Domain in Complex with Inhibitor MIPS15692 | Descriptor: | 2-(butylamino)-N-[1-(3-fluoropropyl)piperidin-4-yl]-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}pyrimidine-5-carboxamide, Tyrosine-protein kinase Mer | Authors: | Hermans, S.J, Hancock, N.C, Baell, J.B, Parker, M.W. | Deposit date: | 2021-03-25 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Development of [ 18 F]MIPS15692, a radiotracer with in vitro proof-of-concept for the imaging of MER tyrosine kinase (MERTK) in neuroinflammatory disease. Eur.J.Med.Chem., 226, 2021
|
|
4ZUV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zuv by Molmil](/molmil-images/mine/4zuv) | Crystal structure of Equine MHC I(Eqca-N*00602) in complexed with equine infectious anaemia virus (EIAV) derived peptide Env-RW12 | Descriptor: | ARG-VAL-GLU-ASP-VAL-THR-ASN-THR-ALA-GLU-TYR-TRP, Beta-2-microglobulin, Classical MHC class I antigen | Authors: | Yao, S, Liu, J, Qi, J, Chen, R, Zhang, N, Liu, Y, Xia, C. | Deposit date: | 2015-05-17 | Release date: | 2016-04-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Illumination of Equine MHC Class I Molecules Highlights Unconventional Epitope Presentation Manner That Is Evolved in Equine Leukocyte Antigen Alleles J Immunol., 196, 2016
|
|
4ZUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zuu by Molmil](/molmil-images/mine/4zuu) | Crystal structure of Equine MHC I(Eqca-N*00602) in complexed with equine infectious anaemia virus (EIAV) derived peptide Gag-CF9 | Descriptor: | Beta-2-microglobulin, CYS-THR-SER-GLU-GLU-MET-ASN-ALA-PHE, Classical MHC class I antigen | Authors: | Yao, S, Liu, J, Qi, J, Chen, R, Zhang, N, Liu, Y, Xia, C. | Deposit date: | 2015-05-17 | Release date: | 2016-04-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Illumination of Equine MHC Class I Molecules Highlights Unconventional Epitope Presentation Manner That Is Evolved in Equine Leukocyte Antigen Alleles J Immunol., 196, 2016
|
|
4ZUT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zut by Molmil](/molmil-images/mine/4zut) | Crystal structure of Equine MHC I(Eqca-N*00602) in complexed with equine infectious anaemia virus (EIAV) derived peptide Gag-GW12 | Descriptor: | Beta-2-microglobulin, Classical MHC class I antigen, GLY-SER-GLN-LYS-LEU-THR-THR-GLY-ASN-CYS-ASN-TRP | Authors: | Yao, S, Liu, J, Qi, J, Chen, R, Zhang, N, Liu, Y, Xia, C. | Deposit date: | 2015-05-17 | Release date: | 2016-04-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Illumination of Equine MHC Class I Molecules Highlights Unconventional Epitope Presentation Manner That Is Evolved in Equine Leukocyte Antigen Alleles J Immunol., 196, 2016
|
|
4ZUS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zus by Molmil](/molmil-images/mine/4zus) | Crystal structure of Equine MHC I(Eqca-N*00602) in complexed with equine infectious anaemia virus (EIAV) derived peptide REV-QW11 | Descriptor: | Beta-2-microglobulin, Classical MHC class I antigen, GLN-ALA-GLU-VAL-LEU-GLN-GLU-ARG-LEU-GLU-TRP | Authors: | Yao, S, Liu, J, Qi, J, Chen, R, Zhang, N, Liu, Y, Xia, C. | Deposit date: | 2015-05-17 | Release date: | 2016-04-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Illumination of Equine MHC Class I Molecules Highlights Unconventional Epitope Presentation Manner That Is Evolved in Equine Leukocyte Antigen Alleles J Immunol., 196, 2016
|
|
4ZUW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zuw by Molmil](/molmil-images/mine/4zuw) | Crystal structure of Equine MHC I(Eqca-N*00601) in complexed with equine infectious anaemia virus (EIAV) derived peptide Gag-GW12 | Descriptor: | Beta-2-microglobulin, Classical MHC class I antigen, GLY-SER-GLN-LYS-LEU-THR-THR-GLY-ASN-CYS-ASN-TRP | Authors: | Yao, S, Liu, J, Qi, J, Chen, R, Zhang, N, Liu, Y, Xia, C. | Deposit date: | 2015-05-17 | Release date: | 2016-04-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Illumination of Equine MHC Class I Molecules Highlights Unconventional Epitope Presentation Manner That Is Evolved in Equine Leukocyte Antigen Alleles J Immunol., 196, 2016
|
|
4ZGY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zgy by Molmil](/molmil-images/mine/4zgy) | |
6WJK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wjk by Molmil](/molmil-images/mine/6wjk) | Crystal Structure of a Self-Assembling DNA Crystal Scaffold with Rhombohedral Symmetry | Descriptor: | DNA (32-MER), DNA (5'-D(*TP*GP*GP*AP*AP*AP*CP*AP*GP*AP*CP*TP*GP*TP*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(P*AP*GP*CP*AP*TP*GP*A)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2020-04-13 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (4.514 Å) | Cite: | A Self-Assembled Rhombohedral DNA Crystal Scaffold with Tunable Cavity Sizes and High-Resolution Structural Detail. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
6WRB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wrb by Molmil](/molmil-images/mine/6wrb) | Self-assembly of a 3D DNA crystal lattice (4x5 duplex version) containing the J5 immobile Holliday junction | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*CP*GP*AP*CP*GP*GP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*C)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2020-04-29 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly. Nat Commun, 13, 2022
|
|
6WQG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wqg by Molmil](/molmil-images/mine/6wqg) | Self-assembly of a 3D DNA crystal lattice (4x5 duplex version) containing the J3 immobile Holliday junction | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*GP*TP*GP*AP*CP*TP*CP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*G)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2020-04-28 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.003 Å) | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly. Nat Commun, 13, 2022
|
|
6WRI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wri by Molmil](/molmil-images/mine/6wri) | Self-assembly of a 3D DNA crystal lattice (4x5 duplex version) containing the J28 immobile Holliday junction | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*AP*TP*GP*AP*CP*TP*CP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*G)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2020-04-29 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.057 Å) | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly. Nat Commun, 13, 2022
|
|
6WR5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wr5 by Molmil](/molmil-images/mine/6wr5) | Self-assembly of a 3D DNA crystal lattice (4x5 duplex version) containing the J35 immobile Holliday junction | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*AP*TP*GP*AP*CP*GP*AP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*C)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2020-04-29 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.063 Å) | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly. Nat Commun, 13, 2022
|
|
6WRJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wrj by Molmil](/molmil-images/mine/6wrj) | Self-assembly of a 3D DNA crystal lattice (4x5 duplex version) containing the J26 immobile Holliday junction | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*TP*TP*GP*AP*CP*AP*CP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*A)-3'), DNA (5'-D(P*GP*GP*TP*CP*TP*GP*C)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2020-04-29 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.129 Å) | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly. Nat Commun, 13, 2022
|
|