7PIK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pik by Molmil](/molmil-images/mine/7pik) | Cryo-EM structure of E. coli TnsB in complex with right end fragment of Tn7 transposon | Descriptor: | Right end fragment of Tn7 transposon, Transposon Tn7 transposition protein TnsB | Authors: | Kaczmarska, Z, Czarnocki-Cieciura, M, Rawski, M, Nowotny, M. | Deposit date: | 2021-08-20 | Release date: | 2022-06-15 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Structural basis of transposon end recognition explains central features of Tn7 transposition systems. Mol.Cell, 82, 2022
|
|
6MFY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mfy by Molmil](/molmil-images/mine/6mfy) | Crystal structure of a 5-domain construct of LgrA in the substrate donation state | Descriptor: | 4'-PHOSPHOPANTETHEINE, Linear gramicidin synthase subunit A, PHOSPHATE ION | Authors: | Reimer, J.M, Eivaskhani, M, Harb, I, Schmeing, T.M. | Deposit date: | 2018-09-12 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility. Science, 366, 2019
|
|
2QRW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qrw by Molmil](/molmil-images/mine/2qrw) | Crystal structure of Mycobacterium tuberculosis trHbO WG8F mutant | Descriptor: | CYANIDE ION, Hemoglobin-like protein HbO, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Milani, M, Bolognesi, M. | Deposit date: | 2007-07-30 | Release date: | 2007-11-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | The Roles of Tyr(CD1) and Trp(G8) in Mycobacterium tuberculosis Truncated Hemoglobin O in Ligand Binding and on the Heme Distal Site Architecture Biochemistry, 46, 2007
|
|
6V10
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v10 by Molmil](/molmil-images/mine/6v10) | genome-containing AAV8 particles | Descriptor: | Capsid protein, DNA (5'-D(*CP*A)-3') | Authors: | Mietzsch, M, Agbandje-McKenna, M. | Deposit date: | 2019-11-19 | Release date: | 2019-12-11 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | Comparative Analysis of the Capsid Structures of AAVrh.10, AAVrh.39, and AAV8. J.Virol., 94, 2020
|
|
7SOD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sod by Molmil](/molmil-images/mine/7sod) | |
7SOB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sob by Molmil](/molmil-images/mine/7sob) | |
7SO9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7so9 by Molmil](/molmil-images/mine/7so9) | |
7SOC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7soc by Molmil](/molmil-images/mine/7soc) | |
7SOE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7soe by Molmil](/molmil-images/mine/7soe) | |
3KVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kvh by Molmil](/molmil-images/mine/3kvh) | Crystal structure of human protein syndesmos (NUDT16-like protein) | Descriptor: | CHLORIDE ION, GLYCEROL, Protein syndesmos | Authors: | Tresaugues, L, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Kotzsch, A, Kraulis, P, Moche, M, Nielsen, T.K, Nyman, T, Persson, C, Roos, A.K, Schuler, H, Schutz, P, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2009-11-30 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of human protein syndesmos (NUDT16L1) To be Published
|
|
8TV7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tv7 by Molmil](/molmil-images/mine/8tv7) | SARS-CoV-2 Mac1 in complex with MDOLL-0229 | Descriptor: | (1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, GLYCEROL, Papain-like protease nsp3 | Authors: | Wazir, S, Maksimainen, M, Lehtio, L. | Deposit date: | 2023-08-17 | Release date: | 2024-04-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of 2-Amide-3-methylester Thiophenes that Target SARS-CoV-2 Mac1 and Repress Coronavirus Replication, Validating Mac1 as an Antiviral Target. J.Med.Chem., 67, 2024
|
|
7SOF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sof by Molmil](/molmil-images/mine/7sof) | |
7SOA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7soa by Molmil](/molmil-images/mine/7soa) | |
8TV6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tv6 by Molmil](/molmil-images/mine/8tv6) | SARS-CoV-2 Mac1 in complex with MDOLL-0169 | Descriptor: | (1R,6R)-6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Wazir, S, Maksimainen, M, Lehtio, L. | Deposit date: | 2023-08-17 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of 2-Amide-3-methylester Thiophenes that Target SARS-CoV-2 Mac1 and Repress Coronavirus Replication, Validating Mac1 as an Antiviral Target. J.Med.Chem., 67, 2024
|
|
1C0L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1c0l by Molmil](/molmil-images/mine/1c0l) | D-AMINO ACID OXIDASE: STRUCTURE OF SUBSTRATE COMPLEXES AT VERY HIGH RESOLUTION REVEAL THE CHEMICAL REACTTION MECHANISM OF FLAVIN DEHYDROGENATION | Descriptor: | D-AMINO ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE, TRIFLUOROALANINE | Authors: | Umhau, S, Molla, G, Diederichs, K, Pilone, M.S, Ghisla, S, Welte, W. | Deposit date: | 1999-07-16 | Release date: | 2000-11-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | The x-ray structure of D-amino acid oxidase at very high resolution identifies the chemical mechanism of flavin-dependent substrate dehydrogenation. Proc.Natl.Acad.Sci.USA, 97, 2000
|
|
6MBI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mbi by Molmil](/molmil-images/mine/6mbi) | |
5CCH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cch by Molmil](/molmil-images/mine/5cch) | Structure of the Ca2+-bound synaptotagmin-1 SNARE complex (short unit cell form) | Descriptor: | CALCIUM ION, Synaptosomal-associated protein 25, Synaptotagmin-1, ... | Authors: | Zhou, Q, Zhao, M, Lyubimov, A.Y, Uervirojnangkoorn, M, Zeldin, O.B, Weis, W.I, Brunger, A.T. | Deposit date: | 2015-07-02 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Architecture of the synaptotagmin-SNARE machinery for neuronal exocytosis. Nature, 525, 2015
|
|
7SSE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sse by Molmil](/molmil-images/mine/7sse) | Crystal structure of the WDR domain of human DCAF1 in complex with CYCA-117-70 | Descriptor: | DDB1- and CUL4-associated factor 1, N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine | Authors: | Kimani, S, Owen, J, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Shahani, V.M, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2021-11-10 | Release date: | 2021-12-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets. J.Chem.Inf.Model., 63, 2023
|
|
6URL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6url by Molmil](/molmil-images/mine/6url) | Barrier-to-autointegration factor soaked in isopropanol: 1 of 14 in MSCS set | Descriptor: | Barrier-to-autointegration factor, ETHANOL | Authors: | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | Deposit date: | 2019-10-23 | Release date: | 2020-10-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor. Acta Crystallogr D Struct Biol, 76, 2020
|
|
6URR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6urr by Molmil](/molmil-images/mine/6urr) | Barrier-to-autointegration factor soaked in Dioxane: 1 of 14 in MSCS set | Descriptor: | Barrier-to-autointegration factor, ETHANOL | Authors: | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | Deposit date: | 2019-10-24 | Release date: | 2020-10-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor. Acta Crystallogr D Struct Biol, 76, 2020
|
|
1C3P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1c3p by Molmil](/molmil-images/mine/1c3p) | |
8FTP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ftp by Molmil](/molmil-images/mine/8ftp) | |
6USI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6usi by Molmil](/molmil-images/mine/6usi) | Barrier-to-autointegration factor soaked in 1,6-hexanediol: 1 of 14 in MSCS set | Descriptor: | Barrier-to-autointegration factor, ETHANOL | Authors: | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | Deposit date: | 2019-10-26 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.653 Å) | Cite: | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor. Acta Crystallogr D Struct Biol, 76, 2020
|
|
6B55
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b55 by Molmil](/molmil-images/mine/6b55) | Crystal structure of the Plant Defensin NaD1 complexed with phosphatidic acid | Descriptor: | 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE, 1,2-ETHANEDIOL, Flower-specific defensin, ... | Authors: | Jarva, M, Phan, K, Humble, C, Lay, F.T, Hulett, M, Kvansakul, M. | Deposit date: | 2017-09-28 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray structure of a carpet-like antimicrobial defensin-phospholipid membrane disruption complex. Nat Commun, 9, 2018
|
|
6B5O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b5o by Molmil](/molmil-images/mine/6b5o) | Structure of PfCSP peptide 29 with human protective antibody CIS43 | Descriptor: | CIS43 Fab Heavy chain, CIS43 Fab Light chain, PfCSP peptide 29: ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-ASN | Authors: | Pancera, M, Weidle, C. | Deposit date: | 2017-09-29 | Release date: | 2018-03-21 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite. Nat. Med., 24, 2018
|
|