8CEZ
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6ECD
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![BU of 6ecd by Molmil](/molmil-images/mine/6ecd) | Vlm2 thioesterase domain with genetically encoded 2,3-diaminopropionic acid bound with a tetradepsipeptide | Descriptor: | Vlm2, tetradepsipeptide | Authors: | Alonzo, D.A, Huguenin-Dezot, N, Heberlig, G.W, Mahesh, M, Nguyen, D.P, Dornan, M.H, Boddy, C.N, Chin, J.W, Schmeing, T.M. | Deposit date: | 2018-08-07 | Release date: | 2018-12-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Trapping biosynthetic acyl-enzyme intermediates with encoded 2,3-diaminopropionic acid. Nature, 565, 2019
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7VGB
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![BU of 7vgb by Molmil](/molmil-images/mine/7vgb) | Crystal structure of apo prolyl oligopeptidase from Microbulbifer arenaceous | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Huang, P, Jiang, Z.Q. | Deposit date: | 2021-09-15 | Release date: | 2022-05-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.227 Å) | Cite: | The structure and molecular dynamics of prolyl oligopeptidase from Microbulbifer arenaceous provide insights into catalytic and regulatory mechanisms. Acta Crystallogr D Struct Biol, 78, 2022
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5DN5
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![BU of 5dn5 by Molmil](/molmil-images/mine/5dn5) | Structure of a C-terminally truncated glycoside hydrolase domain from Salmonella typhimurium FlgJ | Descriptor: | CHLORIDE ION, IODIDE ION, Peptidoglycan hydrolase FlgJ, ... | Authors: | Zaloba, P, Bailey-Elkin, B.A, Mark, B.L. | Deposit date: | 2015-09-09 | Release date: | 2016-02-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and Biochemical Insights into the Peptidoglycan Hydrolase Domain of FlgJ from Salmonella typhimurium. Plos One, 11, 2016
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3HIG
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1EA4
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![BU of 1ea4 by Molmil](/molmil-images/mine/1ea4) | TRANSCRIPTIONAL REPRESSOR COPG/22bp dsDNA COMPLEX | Descriptor: | DNA (5'-D(*TP*AP*AP*CP*CP*GP*TP*GP *CP*AP*CP*TP*CP*AP*AP*TP*GP*CP*AP*AP*TP*C)-3'), DNA(5'-D(*AP*GP*AP*TP*TP*GP*CP*AP*TP *TP*GP*AP*GP*TP*GP*CP*AP*CP*GP*GP*TP*T)-3'), TRANSCRIPTIONAL REPRESSOR COPG | Authors: | Gomis-Rueth, F.X, Costa, M, Sola, M, Acebo, P, Eritja, R, Espinosa, M, Solar, G.D, Coll, M. | Deposit date: | 2000-11-05 | Release date: | 2001-07-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Plasmid Transcriptional Repressor Copg Oligomerises to Render Helical Superstructures Unbound and in Complexes with Oligonucleotides J.Mol.Biol., 310, 2001
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1EBM
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![BU of 1ebm by Molmil](/molmil-images/mine/1ebm) | CRYSTAL STRUCTURE OF THE HUMAN 8-OXOGUANINE GLYCOSYLASE (HOGG1) BOUND TO A SUBSTRATE OLIGONUCLEOTIDE | Descriptor: | 8-OXOGUANINE DNA GLYCOSYLASE, CALCIUM ION, DNA (5'-D(*GP*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3'), ... | Authors: | Bruner, S.D, Norman, D.P, Verdine, G.L. | Deposit date: | 2000-01-24 | Release date: | 2000-03-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for recognition and repair of the endogenous mutagen 8-oxoguanine in DNA. Nature, 403, 2000
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6EQ3
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![BU of 6eq3 by Molmil](/molmil-images/mine/6eq3) | MTH1 in complex with fragment 9 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, [2-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol | Authors: | Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2017-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
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6EQ5
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![BU of 6eq5 by Molmil](/molmil-images/mine/6eq5) | MTH1 in complex with fragment 4 | Descriptor: | 1H-benzimidazol-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | Authors: | Wiedmer, L, Sledz, P, Caflisch, A. | Deposit date: | 2017-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
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8CJ3
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![BU of 8cj3 by Molmil](/molmil-images/mine/8cj3) | Urea-based foldamer inhibitor c3u_7 chimera in complex with ASF1 histone chaperone | Descriptor: | Histone chaperone ASF1A, c3u_7 chimera inhibitor of histone chaperone ASF1 | Authors: | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | Deposit date: | 2023-02-11 | Release date: | 2023-07-05 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach. Chem.Commun.(Camb.), 59, 2023
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6AFK
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![BU of 6afk by Molmil](/molmil-images/mine/6afk) | Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor | Descriptor: | N-{(3S)-1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-indole-2-carboxamide, S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Zhong, W, Koay, A, Wong, Y.W, Sahili, A.E, Nah, Q, Kang, C, Poulsen, A, Chionh, Y.K, McBee, M, Matter, A, Hill, J, Lescar, J, Dedon, P.C. | Deposit date: | 2018-08-08 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Targeting the Bacterial Epitranscriptome for Antibiotic Development: Discovery of Novel tRNA-(N1G37) Methyltransferase (TrmD) Inhibitors. Acs Infect Dis., 5, 2019
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3ERD
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![BU of 3erd by Molmil](/molmil-images/mine/3erd) | HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH DIETHYLSTILBESTROL AND A GLUCOCORTICOID RECEPTOR INTERACTING PROTEIN 1 NR BOX II PEPTIDE | Descriptor: | ACETIC ACID, CHLORIDE ION, DIETHYLSTILBESTROL, ... | Authors: | Shiau, A.K, Barstad, D, Loria, P.M, Cheng, L, Kushner, P.J, Agard, D.A, Greene, G.L. | Deposit date: | 1999-03-31 | Release date: | 1999-04-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | The structural basis of estrogen receptor/coactivator recognition and the antagonism of this interaction by tamoxifen. Cell(Cambridge,Mass.), 95, 1998
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6M5S
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![BU of 6m5s by Molmil](/molmil-images/mine/6m5s) | The coordinates of the apo hexameric terminase complex | Descriptor: | Tripartite terminase subunit 1, Tripartite terminase subunit 2, Tripartite terminase subunit 3, ... | Authors: | Yang, Y.X, Yang, P, Wang, N, Chen, Z.H, Zhou, Z.H, Rao, Z.H, Wang, X.X. | Deposit date: | 2020-03-11 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Architecture of the herpesvirus genome-packaging complex and implications for DNA translocation. Protein Cell, 11, 2020
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4LTF
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3QRK
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![BU of 3qrk by Molmil](/molmil-images/mine/3qrk) | The crystal structure of human abl1 kinase domain in complex with DP-987 | Descriptor: | (3S)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, Tyrosine-protein kinase ABL1 | Authors: | Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L. | Deposit date: | 2011-02-18 | Release date: | 2011-06-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036. Cancer Cell, 19, 2011
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6M7F
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![BU of 6m7f by Molmil](/molmil-images/mine/6m7f) | Wild-type Cucumene Synthase | Descriptor: | Cucumene Synthase | Authors: | Blank, P.N, Pemberton, T.A, Christianson, D.W. | Deposit date: | 2018-08-20 | Release date: | 2018-10-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.051 Å) | Cite: | Crystal Structure of Cucumene Synthase, a Terpenoid Cyclase That Generates a Linear Triquinane Sesquiterpene. Biochemistry, 57, 2018
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4LTK
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![BU of 4ltk by Molmil](/molmil-images/mine/4ltk) | Dehydration/Rehydration of a Nucleic Acid system containing a Polypyridyl Ruthenium Complex at 74% relative humidity (6/7) | Descriptor: | BARIUM ION, CHLORIDE ION, DNA, ... | Authors: | Hall, J.P, Sanchez-Weatherby, J, Cardin, C.J. | Deposit date: | 2013-07-23 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Controlled Dehydration of a Ruthenium Complex-DNA Crystal Induces Reversible DNA Kinking. J.Am.Chem.Soc., 136, 2014
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6AIF
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6U0J
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![BU of 6u0j by Molmil](/molmil-images/mine/6u0j) | Crosslinked Crystal Structure of Malonyl-CoA Acyl Carrier Protein Transacylase, FabD, and Acyl Carrier Protein, AcpP | Descriptor: | 1,2-ETHANEDIOL, Acyl carrier protein, Malonyl CoA-acyl carrier protein transacylase, ... | Authors: | Mindrebo, J.T, Misson, L, Davis, T.D, Burkart, M.D, Noel, J.P. | Deposit date: | 2019-08-14 | Release date: | 2020-07-22 | Last modified: | 2020-10-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Interfacial plasticity facilitates high reaction rate of E. coli FAS malonyl-CoA:ACP transacylase, FabD. Proc.Natl.Acad.Sci.USA, 117, 2020
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8C6Y
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![BU of 8c6y by Molmil](/molmil-images/mine/8c6y) | PBP AccA from A. tumefaciens Bo542 in apoform 2 | Descriptor: | 1,2-ETHANEDIOL, Agrocinopine utilization periplasmic binding protein AccA | Authors: | Morera, S, Vigouroux, A, legrand, P. | Deposit date: | 2023-01-12 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J., 481, 2024
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7V8T
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3N9U
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![BU of 3n9u by Molmil](/molmil-images/mine/3n9u) | Crystal Structure of the Complex between the 25 kDa Subunit and the 59 kDa Subunit (RRM domain) of Human Cleavage Factor Im | Descriptor: | Cleavage and polyadenylation specificity factor subunit 5, Cleavage and polyadenylation specificity factor subunit 7, GLYCEROL | Authors: | Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Moche, M, Nielsen, T.N, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2010-05-31 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal Structure of the Complex between the 25 kDa Subunit and the 59 kDa Subunit (RRM domain) of Human Cleavage Factor Im To be Published
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6M8F
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![BU of 6m8f by Molmil](/molmil-images/mine/6m8f) | Engineered sperm whale myoglobin-based carbene transferase | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | Authors: | Bacik, J.P, Ando, N, Fasan, R. | Deposit date: | 2018-08-21 | Release date: | 2019-01-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Origin of high stereocontrol in olefin cyclopropanation catalyzed by an engineered carbene transferase. Acs Catalysis, 9, 2019
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6M49
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![BU of 6m49 by Molmil](/molmil-images/mine/6m49) | cryo-EM structure of Scap/Insig complex in the present of 25-hydroxyl cholesterol. | Descriptor: | 25-HYDROXYCHOLESTEROL, Insulin-induced gene 2 protein, Sterol regulatory element-binding protein cleavage-activating protein,Sterol regulatory element-binding protein cleavage-activating protein | Authors: | Yan, R, Cao, P, Song, W, Qian, H, Du, X, Coates, H.W, Zhao, X, Li, Y, Gao, S, Gong, X, Liu, X, Sui, J, Lei, J, Yang, H, Brown, A.J, Zhou, Q, Yan, C, Yan, N. | Deposit date: | 2020-03-06 | Release date: | 2021-01-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | A structure of human Scap bound to Insig-2 suggests how their interaction is regulated by sterols. Science, 371, 2021
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4CMY
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![BU of 4cmy by Molmil](/molmil-images/mine/4cmy) | Chlorobium tepidum Ferritin | Descriptor: | FE (III) ION, FERRITIN | Authors: | Pohl, E, Arenas, M, Townsend, P.D, Yevenes, A. | Deposit date: | 2014-01-18 | Release date: | 2014-11-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | The Crystal Structure of Ferritin from Chlorobium Tepidum Reveals a New Conformation of the 4-Fold Channel for This Protein Family. Biochimie, 106, 2014
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