2RCY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rcy by Molmil](/molmil-images/mine/2rcy) | Crystal structure of Plasmodium falciparum pyrroline carboxylate reductase (MAL13P1.284) with NADP bound | Descriptor: | GLYCEROL, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Wernimont, A.K, Lew, J, Lin, Y.H, Ren, H, Sun, X, Khuu, C, Hassanali, A, Wasney, G, Zhao, Y, Kozieradzki, I, Schapira, M, Bochkarev, A, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2007-09-20 | Release date: | 2007-10-23 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of Plasmodium falciparum pyrroline carboxylate reductase (MAL13P1.284) with NADP bound. To be Published
|
|
6KHX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6khx by Molmil](/molmil-images/mine/6khx) | Crystal structure of Prx from Akkermansia muciniphila | Descriptor: | CALCIUM ION, Peroxiredoxin | Authors: | Li, M, Wang, J, Xu, W, Wang, Y, Zhang, M, Wang, M. | Deposit date: | 2019-07-16 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Crystal structure of Akkermansia muciniphila peroxiredoxin reveals a novel regulatory mechanism of typical 2-Cys Prxs by a distinct loop. Febs Lett., 594, 2020
|
|
2RDO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rdo by Molmil](/molmil-images/mine/2rdo) | 50S subunit with EF-G(GDPNP) and RRF bound | Descriptor: | 23S RIBOSOMAL RNA, 50S ribosomal protein L1, 50S ribosomal protein L11, ... | Authors: | Gao, N, Zavialov, A.V, Ehrenberg, M, Frank, J. | Deposit date: | 2007-09-24 | Release date: | 2008-03-04 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (9.1 Å) | Cite: | Specific interaction between EF-G and RRF and its implication for GTP-dependent ribosome splitting into subunits. J.Mol.Biol., 374, 2007
|
|
5V9T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v9t by Molmil](/molmil-images/mine/5v9t) | Crystal structure of selective pyrrolidine amide KDM5a inhibitor N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide (compound 48) | Descriptor: | Lysine-specific demethylase 5A, N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide, NICKEL (II) ION, ... | Authors: | Kiefer, J.R, Liang, J, Vinogradova, M. | Deposit date: | 2017-03-23 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
|
|
5VAS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vas by Molmil](/molmil-images/mine/5vas) | Pekin duck egg lysozyme isoform III (DEL-III), orthorhombic form | Descriptor: | GLYCEROL, Lysozyme, PHOSPHATE ION | Authors: | Christie, M, Christ, D, Langley, D.B. | Deposit date: | 2017-03-27 | Release date: | 2018-04-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis of antigen recognition: crystal structure of duck egg lysozyme. Acta Crystallogr D Struct Biol, 73, 2017
|
|
2R55
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r55 by Molmil](/molmil-images/mine/2r55) | Human StAR-related lipid transfer protein 5 | Descriptor: | StAR-related lipid transfer protein 5 | Authors: | Lehtio, L, Busam, R.D, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Sagemark, J, Sundstrom, M, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Persson, C, Structural Genomics Consortium (SGC) | Deposit date: | 2007-09-03 | Release date: | 2007-09-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Comparative structural analysis of lipid binding START domains. Plos One, 6, 2011
|
|
5VH0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vh0 by Molmil](/molmil-images/mine/5vh0) | RHCC in complex with pyrene | Descriptor: | 1,2-ETHANEDIOL, Tetrabrachion, pyrene | Authors: | McDougall, M, Francisco, O, Stetefeld, J. | Deposit date: | 2017-04-12 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.055 Å) | Cite: | Proteinaceous Nano container Encapsulate Polycyclic Aromatic Hydrocarbons. Sci Rep, 9, 2019
|
|
5VLK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vlk by Molmil](/molmil-images/mine/5vlk) | |
6DWF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dwf by Molmil](/molmil-images/mine/6dwf) | |
5VLP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vlp by Molmil](/molmil-images/mine/5vlp) | PCSK9 complex with LDLR antagonist peptide and Fab7G7 | Descriptor: | Fab7G7 heavy chain, Fab7G7 light chain, LDLR antagonist peptide, ... | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2017-04-25 | Release date: | 2017-08-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists. Nat. Struct. Mol. Biol., 24, 2017
|
|
2R9O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r9o by Molmil](/molmil-images/mine/2r9o) | Cathepsin S complexed with Compound 8 | Descriptor: | Cathepsin S, N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | Deposit date: | 2007-09-13 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation to be published
|
|
5VLA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vla by Molmil](/molmil-images/mine/5vla) | Short PCSK9 delta-P' complex with Fusion2 peptide | Descriptor: | CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-MET-PRO-TRP-ASN-LEU-VAL-ARG-ILE-GLY-LEU-LEU | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2017-04-25 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists. Nat. Struct. Mol. Biol., 24, 2017
|
|
2RGU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rgu by Molmil](/molmil-images/mine/2rgu) | Crystal structure of complex of human DPP4 and inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d ione, Dipeptidyl peptidase 4 | Authors: | Nar, H, Himmelsbach, F, Eckhardt, M. | Deposit date: | 2007-10-05 | Release date: | 2007-11-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 8-(3-(R)-Aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydropurine-2,6-dione (BI 1356), a Highly Potent, Selective, Long-Acting, and Orally Bioavailable DPP-4 Inhibitor for the Treatment of Type 2 Diabetes. J.Med.Chem., 50, 2007
|
|
5VG2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vg2 by Molmil](/molmil-images/mine/5vg2) | Intradiol ring-cleavage Dioxygenase from Tetranychus urticae | Descriptor: | CACODYLATE ION, FE (III) ION, Intradiol ring-cleavage Dioxygenase | Authors: | Schlachter, C, Klapper, V, Chruszcz, M. | Deposit date: | 2017-04-10 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Structural and functional characterization of an intradiol ring-cleavage dioxygenase from the polyphagous spider mite herbivore Tetranychus urticae Koch. Insect Biochem.Mol.Biol., 107, 2019
|
|
6JLJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jlj by Molmil](/molmil-images/mine/6jlj) | XFEL structure of cyanobacterial photosystem II (dark state, dataset1) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
|
|
1JIF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1jif by Molmil](/molmil-images/mine/1jif) | Crystal structure of bleomycin-binding protein from bleomycin-producing Streptomyces verticillus complexed with copper(II)-bleomycin | Descriptor: | BLEOMYCIN A2, CHLORIDE ION, COPPER (II) ION, ... | Authors: | Sugiyama, M, Kumagai, T, Hayashida, M, Maruyama, M, Matoba, Y. | Deposit date: | 2001-07-02 | Release date: | 2002-02-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The 1.6-A crystal structure of the copper(II)-bound bleomycin complexed with the bleomycin-binding protein from bleomycin-producing Streptomyces verticillus. J.Biol.Chem., 277, 2002
|
|
3KW9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kw9 by Molmil](/molmil-images/mine/3kw9) | |
3KWZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kwz by Molmil](/molmil-images/mine/3kwz) | |
6JLK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jlk by Molmil](/molmil-images/mine/6jlk) | XFEL structure of cyanobacterial photosystem II (1F state, dataset1) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
|
|
6JLM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jlm by Molmil](/molmil-images/mine/6jlm) | XFEL structure of cyanobacterial photosystem II (dark state, dataset2) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2019-03-06 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Science, 366, 2019
|
|
5X17
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x17 by Molmil](/molmil-images/mine/5x17) | Crystal structure of murine CK1d in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Casein kinase I isoform delta, SULFATE ION | Authors: | Kikuchi, M, Shinohara, Y, Ueda, H.R, Umehara, T. | Deposit date: | 2017-01-25 | Release date: | 2017-10-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Temperature-Sensitive Substrate and Product Binding Underlie Temperature-Compensated Phosphorylation in the Clock Mol. Cell, 67, 2017
|
|
5WE4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5we4 by Molmil](/molmil-images/mine/5we4) | 70S ribosome-EF-Tu wt complex with GppNHp | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Fislage, M, Brown, Z, Frank, J. | Deposit date: | 2017-07-07 | Release date: | 2018-04-25 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM shows stages of initial codon selection on the ribosome by aa-tRNA in ternary complex with GTP and the GTPase-deficient EF-TuH84A. Nucleic Acids Res., 46, 2018
|
|
2Q9M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q9m by Molmil](/molmil-images/mine/2q9m) | 4-Substituted Trinems as Broad Spectrum-Lactamase Inhibitors: Structure-based Design, Synthesis and Biological Activity | Descriptor: | (1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-YL)-4-METHOXY-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID, Beta-lactamase | Authors: | Plantan, I, Selic, L, Mesar, T, Stefanic Anderluh, P, Oblak, M, Prezelj, A, Hesse, L, Andrejasic, M, Vilar, M, Turk, D, Kocijan, A, Prevec, T, Vilfan, G, Kocjan, D, Copar, A, Urleb, U, Solmajer, T. | Deposit date: | 2007-06-13 | Release date: | 2007-08-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | 4-Substituted Trinems as Broad Spectrum beta-Lactamase Inhibitors: Structure-Based Design, Synthesis, and Biological Activity J.Med.Chem., 50, 2007
|
|
5WDA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wda by Molmil](/molmil-images/mine/5wda) | Structure of the PulG pseudopilus | Descriptor: | CALCIUM ION, General secretion pathway protein G | Authors: | Lopez-Castilla, A, Thomassin, J.L, Bardiaux, B, Zheng, W, Nivaskumar, M, Yu, X, Nilges, M, Egelman, E.H, Izadi-Pruneyre, N, Francetic, O. | Deposit date: | 2017-07-04 | Release date: | 2017-10-25 | Last modified: | 2020-01-01 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | Structure of the calcium-dependent type 2 secretion pseudopilus. Nat Microbiol, 2, 2017
|
|
5I6A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i6a by Molmil](/molmil-images/mine/5i6a) | bicyclo[3.3.2]decapeptide | Descriptor: | ALA-PHE-GLY-LYD-VAL-PHE-PRO-GLN-ALA-GLY, DIMETHYL SULFOXIDE | Authors: | Bartoloni, M, Waltersperger, S, Bumann, M, Stocker, A, Darbre, T, Reymond, J.-L. | Deposit date: | 2016-02-16 | Release date: | 2016-03-09 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (0.813 Å) | Cite: | Stereoselective synthesis and structure determination of a bicyclo[3.3.2]decapeptide Arkivoc, 2014, 2014
|
|