5N8G
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![BU of 5n8g by Molmil](/molmil-images/mine/5n8g) | Serial Cu nitrite reductase structures at elevated cryogenic temperature, 240K. Dataset 2. | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION | Authors: | Horrell, S, Kekilli, D, Hough, M, Strange, R. | Deposit date: | 2017-02-23 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase. IUCrJ, 4, 2017
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6TAJ
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![BU of 6taj by Molmil](/molmil-images/mine/6taj) | Crystal structure of Escherichia coli Orotate Phosphoribosyltransferase in complex with Orotic acid 1.60 Angstrom resolution | Descriptor: | GLYCEROL, OROTIC ACID, Orotate phosphoribosyltransferase | Authors: | Navas-Yuste, S, Lopez-Estepa, M, Gomez, S, Fernandez, F.J, Vega, M.C. | Deposit date: | 2019-10-29 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Elucidating the Catalytic Reaction Mechanism of Orotate Phosphoribosyltransferase by Means of X-ray Crystallography and Computational Simulations Acs Catalysis, 10, 2020
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5N6U
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6TB5
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![BU of 6tb5 by Molmil](/molmil-images/mine/6tb5) | The crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 1.83A resolution (sequentially soaked in CaCl2 [5mM] for 20 min, then in Ammonium iron(II) sulfate [10mM] for 2h). | Descriptor: | CALCIUM ION, DNA protection during starvation protein 2, FE (III) ION | Authors: | Cuypers, M.G, McSweeney, S, Romao, C.V, Mitchell, E.P. | Deposit date: | 2019-10-31 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | The crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 1.83A resolution (sequentially soaked in CaCl2 [5mM] for 20 min, then in Ammonium iron(II) sulfate [10mM] for 2h). To Be Published
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5N8Z
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![BU of 5n8z by Molmil](/molmil-images/mine/5n8z) | Crystal Structure of Drosophila DHX36 helicase in complex with CTCTCCCTT | Descriptor: | CG9323, isoform A, DNA (5'-D(P*CP*TP*CP*TP*CP*CP*CP*TP*T)-3'), ... | Authors: | Chen, W.-F, Rety, S, Guo, H.-L, Wu, W.-Q, Liu, N.-N, Liu, Q.-W, Dai, Y.-X, Xi, X.-G. | Deposit date: | 2017-02-24 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.477 Å) | Cite: | Structural and mechanistic insights into DHX36-mediated innate immunity and G-quadruplex unfolding To Be Published
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5N8H
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![BU of 5n8h by Molmil](/molmil-images/mine/5n8h) | Serial Cu nitrite reductase structures at elevated cryogenic temperature, 240K. Dataset 3. | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION | Authors: | Horrell, S, Kekilli, D, Hough, M, Strange, R. | Deposit date: | 2017-02-23 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase. IUCrJ, 4, 2017
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6TN1
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![BU of 6tn1 by Molmil](/molmil-images/mine/6tn1) | Unliganded Crystal Structure of Recombinant GBA | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2019-12-05 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis. Acta Crystallogr D Struct Biol, 76, 2020
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5N8U
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![BU of 5n8u by Molmil](/molmil-images/mine/5n8u) | Crystal Structure of Drosophila DHX36 helicase in complex with CTCTCCT | Descriptor: | CG9323, isoform A, DNA (5'-D(P*CP*TP*CP*TP*CP*CP*CP*T)-3'), ... | Authors: | Chen, W.-F, Rety, S, Guo, H.-L, Wu, W.-Q, Liu, N.-N, Liu, Q.-W, Dai, Y.-X, Xi, X.-G. | Deposit date: | 2017-02-24 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural and mechanistic insights into DHX36-mediated innate immunity and G-quadruplex unfolding To Be Published
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7BWY
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![BU of 7bwy by Molmil](/molmil-images/mine/7bwy) | Crystal structure of ice-binding protein from an Antarctic ascomycete, Antarctomyces psychrotrophicus. | Descriptor: | GLYCEROL, Ice-binding protein isoform1a | Authors: | Yamauchi, A, Arai, T, Kondo, H, Tsuda, S. | Deposit date: | 2020-04-16 | Release date: | 2020-05-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | An Ice-Binding Protein from an Antarctic Ascomycete Is Fine-Tuned to Bind to Specific Water Molecules Located in the Ice Prism Planes. Biomolecules, 10, 2020
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5N9E
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![BU of 5n9e by Molmil](/molmil-images/mine/5n9e) | Crystal Structure of Drosophila DHX36 helicase in complex with TGGGGATTT | Descriptor: | CG9323, isoform A, DNA (5'-D(P*TP*GP*GP*GP*GP*AP*TP*TP*T)-3') | Authors: | Chen, W.-F, Rety, S, Hai-Lei Guo, H.-L, Wu, W.-Q, Liu, N.-N, Liu, Q.-W, Dai, Y.-X, Xi, X.-G. | Deposit date: | 2017-02-24 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.007 Å) | Cite: | Structural and mechanistic insights into DHX36-mediated innate immunity and G-quadruplex unfolding To Be Published
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7BQ1
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![BU of 7bq1 by Molmil](/molmil-images/mine/7bq1) | X-ray structure of human PPARalpha ligand binding domain-intrinsic fatty acid (E. coli origin)-SRC1 coactivator peptide co-crystals obtained by co-crystallization | Descriptor: | 15-meric peptide from Nuclear receptor coactivator 1, GLYCEROL, PALMITIC ACID, ... | Authors: | Kamata, S, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | Deposit date: | 2020-03-23 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.521 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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5NA1
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![BU of 5na1 by Molmil](/molmil-images/mine/5na1) | NADH:quinone oxidoreductase (NDH-II) from Staphylococcus aureus - holoprotein structure - 2.32 A resolution | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, NADH dehydrogenase-like protein SAOUHSC_00878, ... | Authors: | Brito, J.A, Athayde, D, Sousa, F.M, Sena, F.V, Pereira, M.M, Archer, M. | Deposit date: | 2017-02-27 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | The key role of glutamate 172 in the mechanism of type II NADH:quinone oxidoreductase of Staphylococcus aureus. Biochim. Biophys. Acta, 1858, 2017
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7BX9
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![BU of 7bx9 by Molmil](/molmil-images/mine/7bx9) | Purification, characterization and X-ray structure of YhdA-type azoreductase from Bacillus velezensis | Descriptor: | Azoreductase, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | Authors: | Khan, F, Suguna, K. | Deposit date: | 2020-04-18 | Release date: | 2020-12-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Purification, characterization, and crystal structure of YhdA-type azoreductase from Bacillus velezensis. Proteins, 89, 2021
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5NA0
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![BU of 5na0 by Molmil](/molmil-images/mine/5na0) | TTK kinase domain in complex with a PEG-linked pyrimido-indolizine | Descriptor: | Dual specificity protein kinase TTK, ~{N}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide | Authors: | Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R. | Deposit date: | 2017-02-27 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J. Mol. Biol., 429, 2017
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5NA7
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![BU of 5na7 by Molmil](/molmil-images/mine/5na7) | Structure of DPP III from Bacteroides thetaiotaomicron | Descriptor: | CHLORIDE ION, Putative dipeptidyl-peptidase III, SULFATE ION, ... | Authors: | Sabljic, I, Luic, M. | Deposit date: | 2017-02-27 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Crystal structure of dipeptidyl peptidase III from the human gut symbiont Bacteroides thetaiotaomicron. PLoS ONE, 12, 2017
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5NAE
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7BQO
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![BU of 7bqo by Molmil](/molmil-images/mine/7bqo) | The structure of HpiI in complex with its substrate analogue | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one, GLYCEROL, ... | Authors: | Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y. | Deposit date: | 2020-03-25 | Release date: | 2020-10-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | An enzymatic Alder-ene reaction. Nature, 586, 2020
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6T5M
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5NB3
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![BU of 5nb3 by Molmil](/molmil-images/mine/5nb3) | High resolution C-phycoerythrin from marine cyanobacterium Phormidium sp. A09DM at pH 7.5 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | Authors: | Sonani, R.R, Roszak, A.W, Ortmann de Percin Northumberland, C, Madamwar, D, Cogdell, R.J. | Deposit date: | 2017-03-01 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | An improved crystal structure of C-phycoerythrin from the marine cyanobacterium Phormidium sp. A09DM. Photosyn. Res., 135, 2018
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6T5V
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![BU of 6t5v by Molmil](/molmil-images/mine/6t5v) | KRasG12C ligand complex | Descriptor: | 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Phillips, C. | Deposit date: | 2019-10-17 | Release date: | 2020-02-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C. J.Med.Chem., 63, 2020
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5NBL
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![BU of 5nbl by Molmil](/molmil-images/mine/5nbl) | Crystal structure of the Arp4-N-actin(APO-state) heterodimer bound by a nanobody | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-related protein 4, ... | Authors: | Knoll, K.R, Eustermann, S, Hopfner, K.P. | Deposit date: | 2017-03-02 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The nuclear actin-containing Arp8 module is a linker DNA sensor driving INO80 chromatin remodeling. Nat. Struct. Mol. Biol., 25, 2018
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6TPI
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![BU of 6tpi by Molmil](/molmil-images/mine/6tpi) | EnvC bound to the FtsX periplasmic domain | Descriptor: | Cell division protein FtsX, Murein hydrolase activator EnvC | Authors: | Crow, A. | Deposit date: | 2019-12-13 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Insights into bacterial cell division from a structure of EnvC bound to the FtsX periplasmic domain. Proc.Natl.Acad.Sci.USA, 117, 2020
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6TPO
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![BU of 6tpo by Molmil](/molmil-images/mine/6tpo) | Conformation of cd1 nitrite reductase NirS without bound heme d1 | Descriptor: | (R,R)-2,3-BUTANEDIOL, HEME C, Nitrite reductase, ... | Authors: | Kluenemann, T, Blankenfeldt, W. | Deposit date: | 2019-12-13 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.861 Å) | Cite: | Structure of heme d 1 -free cd 1 nitrite reductase NirS. Acta Crystallogr.,Sect.F, 76, 2020
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5NGD
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![BU of 5ngd by Molmil](/molmil-images/mine/5ngd) | Crystal structure of the V325G mutant of the bacteriophage G20C portal protein | Descriptor: | Portal protein | Authors: | Pascoa, T, Jenkins, H.T, Chechik, M, Greive, S.J, Antson, A.A. | Deposit date: | 2017-03-17 | Release date: | 2017-03-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Porphyrin-Assisted Docking of a Thermophage Portal Protein into Lipid Bilayers: Nanopore Engineering and Characterization Acs Nano, 11, 2017
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5NGR
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![BU of 5ngr by Molmil](/molmil-images/mine/5ngr) | Crystal structure of human MTH1 in complex with fragment inhibitor 8-(methylsulfanyl)-7H-purin-6-amine | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-methylsulfanyl-7~{H}-purin-6-amine, SULFATE ION | Authors: | Gustafsson, R, Rudling, A, Almlof, I, Homan, E, Scobie, M, Warpman Berglund, U, Helleday, T, Carlsson, J, Stenmark, P. | Deposit date: | 2017-03-20 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space. J. Med. Chem., 60, 2017
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