4WIN
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![BU of 4win by Molmil](/molmil-images/mine/4win) | Crystal structure of the GATase domain from Plasmodium falciparum GMP synthetase | Descriptor: | GMP synthetase, NITRATE ION | Authors: | Ballut, L, Violot, S, Haser, R, Aghajari, N. | Deposit date: | 2014-09-26 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Active site coupling in Plasmodium falciparum GMP synthetase is triggered by domain rotation. Nat Commun, 6, 2015
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4WID
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![BU of 4wid by Molmil](/molmil-images/mine/4wid) | Crystal structure of the immediate-early 1 protein (IE1) at 2.31 angstrom (tetragonal form after crystal dehydration) | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, RhUL123 | Authors: | Klingl, S, Scherer, M, Sevvana, M, Muller, Y.A, Stamminger, T. | Deposit date: | 2014-09-25 | Release date: | 2014-10-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Crystal Structure of Cytomegalovirus IE1 Protein Reveals Targeting of TRIM Family Member PML via Coiled-Coil Interactions. Plos Pathog., 10, 2014
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4WFE
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![BU of 4wfe by Molmil](/molmil-images/mine/4wfe) | Human TRAAK K+ channel in a K+ bound conductive conformation | Descriptor: | ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT HEAVY CHAIN, ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT LIGHT CHAIN, CALCIUM ION, ... | Authors: | Brohawn, S.G, MacKinnon, R. | Deposit date: | 2014-09-15 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Physical mechanism for gating and mechanosensitivity of the human TRAAK K+ channel. Nature, 516, 2014
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4WLW
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![BU of 4wlw by Molmil](/molmil-images/mine/4wlw) | CRYSTAL STRUCTURE OF THE AG(I) (ACTIVATOR) FORM OF E. COLI CUER, A COPPER EFFLUX REGULATOR, BOUND TO COPA PROMOTER DNA | Descriptor: | DNA NON-TEMPLATE STRAND (5-D(*DGP*DAP*DCP*DCP *DTP*DTP*DCP*DCP*DCP*DCP*DTP*DTP*DGP*DCP*DTP*DGP*DGP*DAP *DAP*DGP*DGP*DTP*DC)-3, DNA TEMPLATE STRAND (5-D(*DGP*DAP*DCP*DCP*DTP *DTP*DCP*DCP*DAP*DGP*DCP*DAP*DAP*DGP*DGP*DGP*DGP*DAP*DAP *DGP*DGP*DTP*DC)-3, HTH-type transcriptional regulator CueR, ... | Authors: | Philips, S.J, Canalizo-Hernandez, M, Mondragon, A, O'Halloran, T.V. | Deposit date: | 2014-10-08 | Release date: | 2015-09-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | TRANSCRIPTION. Allosteric transcriptional regulation via changes in the overall topology of the core promoter. Science, 349, 2015
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4WFG
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![BU of 4wfg by Molmil](/molmil-images/mine/4wfg) | Human TRAAK K+ channel in a Tl+ bound conductive conformation | Descriptor: | ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT HEAVY CHAIN, ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT LIGHT CHAIN, CALCIUM ION, ... | Authors: | Brohawn, S.G, MacKinnon, R. | Deposit date: | 2014-09-15 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Physical mechanism for gating and mechanosensitivity of the human TRAAK K+ channel. Nature, 516, 2014
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6DUK
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![BU of 6duk by Molmil](/molmil-images/mine/6duk) | EGFR with an allosteric inhibitor | Descriptor: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Park, E, Eck, M.J. | Deposit date: | 2018-06-21 | Release date: | 2019-06-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Single and Dual Targeting of Mutant EGFR with an Allosteric Inhibitor. Cancer Discov, 9, 2019
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4WIH
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![BU of 4wih by Molmil](/molmil-images/mine/4wih) | Crystal structure of cAMP-dependent Protein Kinase A from Cricetulus griseus | Descriptor: | cAMP Dependent Protein Kinase Inhibitor PKI-tide, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Kudlinzki, D, Linhard, V.L, Saxena, K, Dreyer, M, Schwalbe, H. | Deposit date: | 2014-09-25 | Release date: | 2014-10-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.139 Å) | Cite: | High-resolution crystal structure of cAMP-dependent protein kinase from Cricetulus griseus. Acta Crystallogr.,Sect.F, 71, 2015
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7CJ5
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![BU of 7cj5 by Molmil](/molmil-images/mine/7cj5) | Crystal structure of homo dimeric D-allulose 3-epimerase from Methylomonas sp. in complex with D-fructose | Descriptor: | D-fructose, Epimerase, MAGNESIUM ION, ... | Authors: | Yoshida, H, Yoshihara, A, Kamitori, S. | Deposit date: | 2020-07-09 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a novel homodimeric l-ribulose 3-epimerase from Methylomonus sp. Febs Open Bio, 11, 2021
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4UST
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![BU of 4ust by Molmil](/molmil-images/mine/4ust) | |
4WL1
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![BU of 4wl1 by Molmil](/molmil-images/mine/4wl1) | |
4WO2
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![BU of 4wo2 by Molmil](/molmil-images/mine/4wo2) | |
4W85
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![BU of 4w85 by Molmil](/molmil-images/mine/4w85) | Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from ruminal metagenomic library, in complex with glucose | Descriptor: | MAGNESIUM ION, Xyloglucan-specific endo-beta-1,4-glucanase, beta-D-glucopyranose | Authors: | Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T. | Deposit date: | 2014-08-22 | Release date: | 2015-03-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family. Biochemistry, 54, 2015
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7C53
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![BU of 7c53 by Molmil](/molmil-images/mine/7c53) | |
4UYL
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![BU of 4uyl by Molmil](/molmil-images/mine/4uyl) | Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with VNI | Descriptor: | 14-ALPHA STEROL DEMETHYLASE, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | Deposit date: | 2014-09-01 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structure-Functional Characterization of Cytochrome P450 Sterol Alpha-Demethylase (Cyp51B) from Aspergillus Fumigatus and Molecular Basis for the Development of Antifungal Drugs J.Biol.Chem., 290, 2015
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4V20
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![BU of 4v20 by Molmil](/molmil-images/mine/4v20) | The 3-D structure of the cellobiohydrolase, Cel7A, from Aspergillus fumigatus, disaccharide complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CELLOBIOHYDROLASE, ... | Authors: | Moroz, O.V, Maranta, M, Shaghasi, T, Harris, P.V, Wilson, K.S, Davies, G.J. | Deposit date: | 2014-10-05 | Release date: | 2015-01-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Three-Dimensional Structure of the Cellobiohydrolase Cel7A from Aspergillus Fumigatus at 1.5 A Resolution Acta Crystallogr.,Sect.F, 71, 2015
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4USO
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![BU of 4uso by Molmil](/molmil-images/mine/4uso) | X-ray structure of the CCL2 lectin in complex with sialyl lewis X | Descriptor: | CCL2 LECTIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Bleuler-Martinez, S, Varrot, A, Schubert, M, Stutz, M, Sieber, R, Hengartner, M, Aebi, M, Kunzler, M. | Deposit date: | 2014-07-11 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Dimerization of the fungal defense lectin CCL2 is essential for its toxicity against nematodes. Glycobiology, 27, 2017
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4UV4
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![BU of 4uv4 by Molmil](/molmil-images/mine/4uv4) | Crystal structure of anti-FPR Fpro0165 Fab fragment | Descriptor: | FPRO0165 FAB | Authors: | Douthwaite, J.A, Sridharan, S, Huntington, C, Marwood, R, Hammersley, J, Hakulinen, J.K, Ek, M, Sjogren, T, Rider, D, Privezentzev, C, Seaman, J.C, Cariuk, P, Knights, V, Young, J, Wilkinson, T, Sleeman, M, Finch, D.K, Lowe, D.C, Vaughan, T.J. | Deposit date: | 2014-08-04 | Release date: | 2014-12-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Affinity Maturation of a Novel Antagonistic Human Monoclonal Antibody with a Long Vh Cdr3 Targeting the Class a Gpcr Formyl-Peptide Receptor 1. Mabs, 7, 2015
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4UVE
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![BU of 4uve by Molmil](/molmil-images/mine/4uve) | Discovery of pyrimidine isoxazoles InhA in complex with compound 9 | Descriptor: | 2-(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYLETHANOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | Deposit date: | 2014-08-05 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
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4UVG
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![BU of 4uvg by Molmil](/molmil-images/mine/4uvg) | Discovery of pyrimidine isoxazoles InhA in complex with compound 15 | Descriptor: | 5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]isoxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], MAGNESIUM ION, ... | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | Deposit date: | 2014-08-05 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase To be Published
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7CBJ
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![BU of 7cbj by Molmil](/molmil-images/mine/7cbj) | Crystal structure of PDE4D catalytic domain in complex with compound 36 | Descriptor: | (1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Xu, Y.C. | Deposit date: | 2020-06-12 | Release date: | 2021-06-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment. Eur.J.Med.Chem., 211, 2021
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7CQV
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![BU of 7cqv by Molmil](/molmil-images/mine/7cqv) | Complex of TRP_CBS1 and Calmodulin_Nlobe | Descriptor: | AT15141p, CALCIUM ION, Transient receptor potential protein | Authors: | Shen, Z.S. | Deposit date: | 2020-08-11 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Calmodulin binds to Drosophila TRP with an unexpected mode. Structure, 29, 2021
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4USV
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![BU of 4usv by Molmil](/molmil-images/mine/4usv) | |
7CJB
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![BU of 7cjb by Molmil](/molmil-images/mine/7cjb) | |
4URT
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![BU of 4urt by Molmil](/molmil-images/mine/4urt) | The crystal structure of a fragment of netrin-1 in complex with FN5- FN6 of DCC | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Finci, L.I, Krueger, N, Sun, X, Zhang, J, Chegkazi, M, Wu, Y, Schenk, G, Mertens, H.D.T, Svergun, D.I, Zhang, Y, Wang, J.-h, Meijers, R. | Deposit date: | 2014-07-02 | Release date: | 2014-09-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The Crystal Structure of Netrin-1 in Complex with Dcc Reveals the Bi-Functionality of Netrin-1 as a Guidance Cue Neuron, 83, 2014
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7CNN
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![BU of 7cnn by Molmil](/molmil-images/mine/7cnn) | vinorelbine in complex with tubulin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wang, Y.X, Wu, C.Y. | Deposit date: | 2020-08-02 | Release date: | 2021-08-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The high-resolution X-ray structure of vinca-domain inhibitors of microtubules provides a rational approach for drug design. Febs Lett., 595, 2021
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