7AIL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ail by Molmil](/molmil-images/mine/7ail) | |
5XYZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xyz by Molmil](/molmil-images/mine/5xyz) | The structure of human BTK kinase domain in complex with a covalent inhibitor | Descriptor: | N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide, Tyrosine-protein kinase BTK | Authors: | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Xie, Y.T, Li, L, Qi, X.B, Huang, N. | Deposit date: | 2017-07-11 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery. J. Med. Chem., 60, 2017
|
|
7AGJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7agj by Molmil](/molmil-images/mine/7agj) | Ribonucleotide Reductase R1 protein from Aquifex aeolicus | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Rehling, D, Scaletti, E.R, Stenmark, P. | Deposit date: | 2020-09-22 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus. Biochemistry, 61, 2022
|
|
5Y6A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y6a by Molmil](/molmil-images/mine/5y6a) | Crystal structure of the anti-CRISPR protein, AcrIIA1 | Descriptor: | chain A and B | Authors: | Ka, D, An, S.Y, Suh, J.Y, Bae, E. | Deposit date: | 2017-08-11 | Release date: | 2017-11-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of an anti-CRISPR protein, AcrIIA1 Nucleic Acids Res., 46, 2018
|
|
8RU5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ru5 by Molmil](/molmil-images/mine/8ru5) | ATPase family AAA domain containing 2 with crystallization epitope mutations V1022R:Q1027E | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2 | Authors: | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2024-01-30 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants To Be Published
|
|
4DFF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dff by Molmil](/molmil-images/mine/4dff) | The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia | Descriptor: | 8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline, MAGNESIUM ION, ZINC ION, ... | Authors: | Ho, G.D, Seganish, W.M, Bercovici, A, Tulshian, D, Greenlee, W.J, Van Rijn, R, Hruza, A, Xiao, L, Rindgen, D, Mullins, D, Guzzi, M, Zhang, X, Bleichardt, C, Hodgson, R. | Deposit date: | 2012-01-23 | Release date: | 2012-03-14 | Last modified: | 2012-04-04 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia. Bioorg.Med.Chem.Lett., 22, 2012
|
|
8CYK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cyk by Molmil](/molmil-images/mine/8cyk) | Crystal structure of hallucinated protein HALC1_878 | Descriptor: | HALC1_878 | Authors: | Ragotte, R.J, Bera, A.K, Milles, L.F, Wicky, B.I.M, Baker, D. | Deposit date: | 2022-05-23 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Robust deep learning-based protein sequence design using ProteinMPNN. Science, 378, 2022
|
|
7AIK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7aik by Molmil](/molmil-images/mine/7aik) | Ribonucleotide Reductase R2 protein from Aquifex aeolicus | Descriptor: | FE (II) ION, Ribonucleoside-diphosphate reductase subunit beta,Ribonucleoside-diphosphate reductase subunit beta | Authors: | Rehling, D, Scaletti, E.R, Stenmark, P. | Deposit date: | 2020-09-27 | Release date: | 2021-11-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus. Biochemistry, 61, 2022
|
|
8UT2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ut2 by Molmil](/molmil-images/mine/8ut2) | Pre-fusion Measles virus fusion protein complexed with Fab 77 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zyla, D, Saphire, E.O. | Deposit date: | 2023-10-30 | Release date: | 2024-07-03 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.56 Å) | Cite: | A neutralizing antibody prevents postfusion transition of measles virus fusion protein. Science, 384, 2024
|
|
8UUP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uup by Molmil](/molmil-images/mine/8uup) | Structure of the Measles virus Fusion protein in the pre-fusion conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, ... | Authors: | Zyla, D, Saphire, E.O. | Deposit date: | 2023-11-01 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.11 Å) | Cite: | A neutralizing antibody prevents postfusion transition of measles virus fusion protein. Science, 384, 2024
|
|
8UUQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8uuq by Molmil](/molmil-images/mine/8uuq) | |
8UTF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8utf by Molmil](/molmil-images/mine/8utf) | |
3NS8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ns8 by Molmil](/molmil-images/mine/3ns8) | |
6MEC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mec by Molmil](/molmil-images/mine/6mec) | Structure of a group II intron retroelement after DNA integration | Descriptor: | MAGNESIUM ION, Maturase reverse transcriptase, SODIUM ION, ... | Authors: | Haack, D, Yan, X, Zhang, C, Hingey, J, Lyumkis, D, Baker, T.S, Toor, N. | Deposit date: | 2018-09-06 | Release date: | 2019-08-14 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM Structures of a Group II Intron Reverse Splicing into DNA. Cell, 178, 2019
|
|
8DF5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8df5 by Molmil](/molmil-images/mine/8df5) | SARS-CoV-2 Beta RBD in complex with human ACE2 and S304 Fab and S309 Fab | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | McCallum, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Snell, G, Veesler, D. | Deposit date: | 2022-06-21 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Shifting mutational constraints in the SARS-CoV-2 receptor-binding domain during viral evolution. Science, 377, 2022
|
|
5YFM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yfm by Molmil](/molmil-images/mine/5yfm) | |
8RU1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ru1 by Molmil](/molmil-images/mine/8ru1) | Chromatin remodeling regulator CECR2 with in crystallo disulfide bond | Descriptor: | Chromatin remodeling regulator CECR2, GLYCEROL, SODIUM ION | Authors: | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2024-01-29 | Release date: | 2024-03-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants To Be Published
|
|
2BGG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bgg by Molmil](/molmil-images/mine/2bgg) | The structure of a Piwi protein from Archaeoglobus fulgidus complexed with a 16nt siRNA duplex. | Descriptor: | 5'-R(*GP*UP*CP*GP*AP*AP*UP*UP)-3', 5'-R(*UP*UP*CP*GP*AP*CP*GP*CP)-3', MANGANESE (II) ION, ... | Authors: | Parker, J.S, Roe, S.M, Barford, D. | Deposit date: | 2004-12-22 | Release date: | 2005-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Insights Into Mrna Recognition from a Piwi Domain-Sirna Guide Complex Nature, 434, 2005
|
|
8RKF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rkf by Molmil](/molmil-images/mine/8rkf) | Crystal structure of the ZP-N1 and ZP-N2 domains of human ZP2 (hZP2-N1N2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2 | Authors: | Dioguardi, E, Stsiapanava, A, de Sanctis, D, Jovine, L. | Deposit date: | 2023-12-25 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat. Cell, 187, 2024
|
|
2VA7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2va7 by Molmil](/molmil-images/mine/2va7) | X-ray crystal structure of beta secretase complexed with compound 27 | Descriptor: | (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | Authors: | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G. | Deposit date: | 2007-08-30 | Release date: | 2007-11-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem., 50, 2007
|
|
5YGY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ygy by Molmil](/molmil-images/mine/5ygy) | Crystal Structure of BACE1 in complex with (S)-N-(3-(2-amino-6-(fluoromethyl)-4 -methyl-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-cyanopicolinamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Fuchino, K, Mitsuoka, Y, Masui, M, Kurose, N, Yoshida, S, Komano, K, Yamamoto, T, Ogawa, M, Unemura, C, Hosono, M, Ito, H, Sakaguchi, G, Ando, S, Ohnishi, S, Kido, Y, Fukushima, T, Miyajima, H, Hiroyama, S, Koyabu, K, Dhuyvetter, D, Borghys, H, Gijsen, H, Yamano, Y, Iso, Y, Kusakabe, K. | Deposit date: | 2017-09-27 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational Design of Novel 1,3-Oxazine Based beta-Secretase (BACE1) Inhibitors: Incorporation of a Double Bond To Reduce P-gp Efflux Leading to Robust A beta Reduction in the Brain J. Med. Chem., 61, 2018
|
|
8QRY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qry by Molmil](/molmil-images/mine/8qry) | |
8QV3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qv3 by Molmil](/molmil-images/mine/8qv3) | Structure of the y-Tubulin Small Complex (yTuSC) as part of the native y-Tubulin Ring Complex (yTuRC) capping microtubule minus ends at the spindle pole body | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Spindle pole body component, Spindle pole body component 110, ... | Authors: | Dendooven, T, Yatskevich, S, Burt, A, Bellini, D, Kilmartin, J, Barford, D. | Deposit date: | 2023-10-17 | Release date: | 2024-04-24 | Last modified: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (8.2 Å) | Cite: | Structure of the native gamma-tubulin ring complex capping spindle microtubules. Nat.Struct.Mol.Biol., 31, 2024
|
|
6FJS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fjs by Molmil](/molmil-images/mine/6fjs) | Proteinase~K SIRAS phased structure of room-temperature, serially collected synchrotron data | Descriptor: | CALCIUM ION, Proteinase K | Authors: | Botha, S, Baitan, D, Jungnickel, K.E.J, Oberthuer, D, Schmidt, C, Stern, S, Wiedorn, M.O, Perbandt, M, Chapman, H.N, Betzel, C. | Deposit date: | 2018-01-23 | Release date: | 2018-10-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | De novoprotein structure determination by heavy-atom soaking in lipidic cubic phase and SIRAS phasing using serial synchrotron crystallography. IUCrJ, 5, 2018
|
|
8QV2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qv2 by Molmil](/molmil-images/mine/8qv2) | Structure of the native y-Tubulin Ring Complex (yTuRC) capping microtubule minus ends at the spindle pole body | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Spindle pole body component, ... | Authors: | Dendooven, T, Yatskevich, S, Burt, A, Bellini, D, Kilmartin, J, Barford, D. | Deposit date: | 2023-10-17 | Release date: | 2024-04-24 | Last modified: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (9.2 Å) | Cite: | Structure of the native gamma-tubulin ring complex capping spindle microtubules. Nat.Struct.Mol.Biol., 31, 2024
|
|