6T0F
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![BU of 6t0f by Molmil](/molmil-images/mine/6t0f) | Crystal structure of CYP124 in complex with cholest-4-en-3-one | Descriptor: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, ... | Authors: | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol., 433, 2021
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4QLY
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![BU of 4qly by Molmil](/molmil-images/mine/4qly) | Crystal structure of CLA-ER, a novel enone reductase catalyzing a key step of a gut-bacterial fatty acid saturation metabolism, biohydrogenation | Descriptor: | Enone reductase CLA-ER, FLAVIN MONONUCLEOTIDE | Authors: | Hou, F, Miyakawa, T, Tanokura, M. | Deposit date: | 2014-06-13 | Release date: | 2015-02-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.005 Å) | Cite: | Structure and reaction mechanism of a novel enone reductase. Febs J., 282, 2015
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4QCI
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![BU of 4qci by Molmil](/molmil-images/mine/4qci) | PDGF-B blocking antibody bound to PDGF-BB | Descriptor: | Platelet-derived growth factor subunit B, anti-PDGF-BB antibody - Light Chain, anti-PDGF-BB antibody - Heavy chain | Authors: | Kuai, J, Mosyak, L, Tam, M, LaVallie, E, Pullen, N, Carven, G. | Deposit date: | 2014-05-12 | Release date: | 2015-03-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Characterization of Binding Mode of Action of a Blocking Anti-Platelet-Derived Growth Factor (PDGF)-B Monoclonal Antibody, MOR8457, Reveals Conformational Flexibility and Avidity Needed for PDGF-BB To Bind PDGF Receptor-beta. Biochemistry, 54, 2015
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6T0L
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![BU of 6t0l by Molmil](/molmil-images/mine/6t0l) | Crystal structure of CYP124 in complex with inhibitor compound 5' | Descriptor: | CHLORIDE ION, CYP124 in complex with inhibitor compound 5', DI(HYDROXYETHYL)ETHER, ... | Authors: | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol., 433, 2021
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6JKM
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![BU of 6jkm by Molmil](/molmil-images/mine/6jkm) | Crystal structure of BubR1 kinase domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X. | Deposit date: | 2019-03-01 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules. Cell Res., 29, 2019
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4R5T
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![BU of 4r5t by Molmil](/molmil-images/mine/4r5t) | |
4R6T
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![BU of 4r6t by Molmil](/molmil-images/mine/4r6t) | |
2P39
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![BU of 2p39 by Molmil](/molmil-images/mine/2p39) | Crystal structure of human FGF23 | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Fibroblast growth factor 23 | Authors: | Mohammadi, M. | Deposit date: | 2007-03-08 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Molecular insights into the klotho-dependent, endocrine mode of action of fibroblast growth factor 19 subfamily members. Mol.Cell.Biol., 27, 2007
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6RA7
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![BU of 6ra7 by Molmil](/molmil-images/mine/6ra7) | Human tnik in complex with compound 9 | Descriptor: | 1,2-ETHANEDIOL, 2-[8-azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol, MAGNESIUM ION, ... | Authors: | Read, J.A. | Deposit date: | 2019-04-05 | Release date: | 2019-11-06 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase To Be Published
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4FR7
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6IQM
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![BU of 6iqm by Molmil](/molmil-images/mine/6iqm) | Crystal Structure of Cell Surface Glyceraldehyde-3-Phosphate Dehydrogenase Complexed with NAD+ from Lactobacillus plantarum | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glyceraldehyde-3-phosphate dehydrogenase, ... | Authors: | Yoneda, K, Kinoshita, H. | Deposit date: | 2018-11-08 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of Cell Surface Glyceraldehyde-3-Phosphate Dehydrogenase from Lactobacillus plantarum: Insight into the Mercury Binding Mechanism Milk Sci, 68, 2019
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2P0E
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![BU of 2p0e by Molmil](/molmil-images/mine/2p0e) | Human nicotinamide riboside kinase 1 in complex with tiazofurin | Descriptor: | (1R)-1-[4-(AMINOCARBONYL)-1,3-THIAZOL-2-YL]-1,4-ANHYDRO-D-RIBITOL, CHLORIDE ION, Nicotinamide riboside kinase 1, ... | Authors: | Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Brenner, C, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2007-02-28 | Release date: | 2007-05-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Nicotinamide Riboside Kinase Structures Reveal New Pathways to NAD(+). Plos Biol., 5, 2007
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4GP8
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![BU of 4gp8 by Molmil](/molmil-images/mine/4gp8) | Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133W+T231F from Thermus thermophilus | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ... | Authors: | Li, Y, Chen, Y, Stout, C.D. | Deposit date: | 2012-08-20 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Ligand Access to the Active Site in Thermus thermophilusba(3) and Bovine Heart aa(3) Cytochrome Oxidases. Biochemistry, 52, 2013
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6TNC
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![BU of 6tnc by Molmil](/molmil-images/mine/6tnc) | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 46 | Descriptor: | CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide | Authors: | Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | Deposit date: | 2019-12-06 | Release date: | 2020-05-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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6T39
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![BU of 6t39 by Molmil](/molmil-images/mine/6t39) | Crystal structure of rsEGFP2 in its off-state determined by SFX | Descriptor: | Green fluorescent protein | Authors: | Woodhouse, J, Coquelle, N, Adam, V, Barends, T.R.M, De La Mora, E, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M. | Deposit date: | 2019-10-10 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy. Nat Commun, 11, 2020
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6JLG
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![BU of 6jlg by Molmil](/molmil-images/mine/6jlg) | Crystal Structure of HasAp with Co-9,10,19,20-Tetraphenylporphycene | Descriptor: | GLYCEROL, Heme acquisition protein HasA, PHOSPHATE ION, ... | Authors: | Sakakibara, E, Shisaka, Y, Onoda, H, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | Deposit date: | 2019-03-05 | Release date: | 2020-03-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Highly malleable haem-binding site of the haemoprotein HasA permits stable accommodation of bulky tetraphenylporphycenes. Rsc Adv, 9, 2019
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2Q7U
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![BU of 2q7u by Molmil](/molmil-images/mine/2q7u) | |
6JKK
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![BU of 6jkk by Molmil](/molmil-images/mine/6jkk) | Crystal structure of BubR1 kinase domain | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Mitotic checkpoint control protein kinase BUB1 | Authors: | Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X. | Deposit date: | 2019-03-01 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules. Cell Res., 29, 2019
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4IMY
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![BU of 4imy by Molmil](/molmil-images/mine/4imy) | |
6RYA
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![BU of 6rya by Molmil](/molmil-images/mine/6rya) | Structure of Dup1 mutant H67A:Ubiquitin complex | Descriptor: | Polyubiquitin-C, Septation initiation protein | Authors: | Donghyuk, S, Ivan, D. | Deposit date: | 2019-06-10 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Regulation of Phosphoribosyl-Linked Serine Ubiquitination by Deubiquitinases DupA and DupB. Mol.Cell, 77, 2020
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6RA5
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![BU of 6ra5 by Molmil](/molmil-images/mine/6ra5) | Human tnik in complex with compound 9 | Descriptor: | 5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine, MAGNESIUM ION, TRAF2 and NCK-interacting protein kinase | Authors: | Read, J.A. | Deposit date: | 2019-04-05 | Release date: | 2020-05-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase To Be Published
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6HGC
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![BU of 6hgc by Molmil](/molmil-images/mine/6hgc) | Structure of Calypso in complex with DEUBAD of ASX | Descriptor: | Polycomb protein Asx, Ubiquitin carboxyl-terminal hydrolase calypso,Ubiquitin carboxyl-terminal hydrolase calypso | Authors: | De, I, Chittock, E.C, Groetsch, H, Miller, T.C.R, McCarthy, A.A, Mueller, C.W. | Deposit date: | 2018-08-23 | Release date: | 2019-01-23 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Structural Basis for the Activation of the Deubiquitinase Calypso by the Polycomb Protein ASX. Structure, 27, 2019
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6HI9
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![BU of 6hi9 by Molmil](/molmil-images/mine/6hi9) | PI3 Kinase Delta in complex with 3[6(oxan4yl)pyridin2yl]phenol | Descriptor: | 3-[6-(oxan-4-yl)pyridin-2-yl]phenol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Convery, M.A, Summers, D, Peace, S. | Deposit date: | 2018-08-29 | Release date: | 2019-09-11 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | A theoretical and experimental investigation into the conformational bias of aryl cyclopropylpyrans, novel bioisosteres for N-aryl morpholines. To be published
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4ONE
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![BU of 4one by Molmil](/molmil-images/mine/4one) | |
6T3A
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![BU of 6t3a by Molmil](/molmil-images/mine/6t3a) | Difference-refined structure of rsEGFP2 10 ns following 400-nm laser irradiation of the off-state determined by SFX | Descriptor: | Green fluorescent protein | Authors: | Woodhouse, J, Coquelle, N, Adam, V, Barends, T.R.M, De La Mora, E, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M. | Deposit date: | 2019-10-10 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy. Nat Commun, 11, 2020
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