5EW9
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![BU of 5ew9 by Molmil](/molmil-images/mine/5ew9) | Crystal Structure of Aurora A Kinase Domain Bound to MK-5108 | Descriptor: | 4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid, Aurora kinase A | Authors: | Shiau, A.K, Motamedi, A. | Deposit date: | 2015-11-20 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.181 Å) | Cite: | A Cell Biologist's Field Guide to Aurora Kinase Inhibitors. Front Oncol, 5, 2015
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8JXB
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![BU of 8jxb by Molmil](/molmil-images/mine/8jxb) | Cryo-EM structure of rat megalin wingAc | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Goto, S, Tsutsumi, A, Lee, Y, Hosojima, M, Kabasawa, H, Komochi, K, Yun-san, L, Nagatoshi, S, Tsumoto, K, Nishizawa, T, Kikkawa, M, Saito, A. | Deposit date: | 2023-06-30 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structures elucidate the multiligand receptor nature of megalin. Proc.Natl.Acad.Sci.USA, 121, 2024
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5BOJ
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![BU of 5boj by Molmil](/molmil-images/mine/5boj) | Crystal Structure of Human Transthyretin in Complex with Gemfibrozil | Descriptor: | 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid, SODIUM ION, Transthyretin | Authors: | Begum, A, Olofsson, A, Sauer-Eriksson, A.E. | Deposit date: | 2015-05-27 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Enthalpic Forces Correlate with the Selectivity of Transthyretin-Stabilizing Ligands in Human Plasma. J.Med.Chem., 58, 2015
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6IV1
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7ABR
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![BU of 7abr by Molmil](/molmil-images/mine/7abr) | Cryo-EM structure of B. subtilis ClpC (DWB mutant) hexamer bound to a substrate polypeptide | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Negative regulator of genetic competence ClpC/MecB, ... | Authors: | Morreale, F.E, Meinhart, A, Haselbach, D, Clausen, T. | Deposit date: | 2020-09-08 | Release date: | 2021-10-06 | Last modified: | 2022-07-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | BacPROTACs mediate targeted protein degradation in bacteria. Cell, 185, 2022
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7A9M
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6RJ2
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![BU of 6rj2 by Molmil](/molmil-images/mine/6rj2) | Crystal structure of PHGDH in complex with compound 40 | Descriptor: | D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | Deposit date: | 2019-04-26 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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6IFF
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![BU of 6iff by Molmil](/molmil-images/mine/6iff) | Crystal structure of M1 zinc metallopeptidase E323A mutant from Deinococcus radiodurans | Descriptor: | SODIUM ION, TYROSINE, ZINC ION, ... | Authors: | Agrawal, R, Kumar, A, Kumar, A, Gaur, N.K, Makde, R.D. | Deposit date: | 2018-09-20 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase. Int.J.Biol.Macromol., 147, 2020
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2MA8
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![BU of 2ma8 by Molmil](/molmil-images/mine/2ma8) | Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein SrfN: Northeast Structural Genomics Consortium Target StR109 | Descriptor: | Putative secreted protein | Authors: | Cort, J.R, Eletsky, A, Adkins, J.N, Burnet, M.C, Parish, D, Liu, K, Sukumaran, D.K, Jiang, M, Cunningham, K, Ma, T, Xiao, R, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-06-29 | Release date: | 2013-09-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO. Plos One, 9, 2014
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5F31
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![BU of 5f31 by Molmil](/molmil-images/mine/5f31) | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P 42 21 2 space group | Descriptor: | ETHANOL, PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase, ... | Authors: | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | Deposit date: | 2015-12-02 | Release date: | 2016-03-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA. Nat Commun, 7, 2016
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5F36
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7A0X
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![BU of 7a0x by Molmil](/molmil-images/mine/7a0x) | Structure of dimeric sodium proton antiporter NhaA, at pH 6.0, crystallized with chimeric Fab antibodies | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, ... | Authors: | Fippel, A, Lentes, C.J, Mir, S.H, Wirth, C, Hunte, C. | Deposit date: | 2020-08-11 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Molecular determinants for substrate uptake in electrogenic sodium/proton antiporters To Be Published
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7A0W
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![BU of 7a0w by Molmil](/molmil-images/mine/7a0w) | Structure of dimeric sodium proton antiporter NhaA, at pH 8.5, crystallized with chimeric Fab antibodies | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CARDIOLIPIN, CHLORIDE ION, ... | Authors: | Fippel, A, Gross, N.M, Mir, S.H, Wirth, C, Hunte, C. | Deposit date: | 2020-08-11 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Molecular determinants for substrate uptake in electrogenic sodium/proton antiporters To Be Published
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5F2Z
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![BU of 5f2z by Molmil](/molmil-images/mine/5f2z) | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P21 space group | Descriptor: | PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase | Authors: | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | Deposit date: | 2015-12-02 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA. Nat Commun, 7, 2016
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7A0Y
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![BU of 7a0y by Molmil](/molmil-images/mine/7a0y) | Structure of dimeric sodium proton antiporter NhaA K300R variant, at pH 8.2, crystallized with chimeric Fab antibodies | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ... | Authors: | Fippel, A, Mir, S.H, Lentes, C.J, Wirth, C, Hunte, C. | Deposit date: | 2020-08-11 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Molecular determinants for substrate uptake in electrogenic sodium/proton antiporters To Be Published
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4HHP
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![BU of 4hhp by Molmil](/molmil-images/mine/4hhp) | Crystal structure of triosephosphate isomerase from trypanosoma cruzi, mutant e105d | Descriptor: | GLYCEROL, SULFATE ION, Triosephosphate isomerase, ... | Authors: | Hernandez-Santoyo, A, Aguirre-Fuentes, Y, Torres-Larios, A, Gomez-Puyou, A, De Gomez-Puyou, M.T. | Deposit date: | 2012-10-10 | Release date: | 2013-10-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Different contribution of conserved amino acids to the global properties of triosephosphate isomerases. Proteins, 82, 2014
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4HPS
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7A0O
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![BU of 7a0o by Molmil](/molmil-images/mine/7a0o) | NMR structure of flagelliform spidroin (FlagSp) N-terminal domain from Trichonephila clavipes at pH 5.5 | Descriptor: | Flagelliform spidroin variant 1 | Authors: | Sarr, M, Kitoka, K, Walsh-White, K.-A, Kaldmae, M, Landreh, M, Rising, A, Johansson, J, Jaudzems, K, Kronqvist, N. | Deposit date: | 2020-08-10 | Release date: | 2021-08-18 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | The dimerization mechanism of the N-terminal domain of spider silk proteins is conserved despite extensive sequence divergence. J.Biol.Chem., 298, 2022
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5AP3
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![BU of 5ap3 by Molmil](/molmil-images/mine/5ap3) | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 9-CYCLOPENTYL-2-[[2-METHOXY-4-[(1-METHYLPIPERIDIN-4-YL)OXY]-PHENYL]AMINO]-7-METHYL-7,9-DIHYDRO-8H-PURIN-8-ONE, ... | Authors: | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S. | Deposit date: | 2015-09-14 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. Cancer Res., 75, 2015
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5ARB
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![BU of 5arb by Molmil](/molmil-images/mine/5arb) | Cooperative bio-metallic selectivity in a tailored protease enables creation of a C-C cross-coupling Heckase | Descriptor: | 5-methyl-2-(5-methylpyridin-2-yl)pyridine, CALCIUM ION, CHLORIDE ION, ... | Authors: | Sharma, M, Diaz-Rodriguez, A, Offen, W.A, Palm-Espling, M.E, Pordea, A, Wormald, M.R, Mcdonough, M, Davies, G.J, Davis, B.G. | Deposit date: | 2015-09-24 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Cooperative Bio-Metallic Selectivity in a Tailored Protease Enables Creation of a C-C Cross-Coupling Heckase To be Published
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6IVN
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![BU of 6ivn by Molmil](/molmil-images/mine/6ivn) | Crystal structure of a membrane protein G264A | Descriptor: | CHLORIDE ION, GLUTAMIC ACID, Ibestrophin, ... | Authors: | Kittredge, A, Fukuda, F, Zhang, Y, Yang, T. | Deposit date: | 2018-12-04 | Release date: | 2019-11-06 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations. Commun Biol, 2, 2019
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7A0I
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![BU of 7a0i by Molmil](/molmil-images/mine/7a0i) | NMR structure of flagelliform spidroin (FlagSp) N-terminal domain from Trichonephila clavipes at pH 7.2 | Descriptor: | Flagelliform spidroin variant 1 | Authors: | Sarr, M, Kitoka, K, Walsh-White, K.-A, Kaldmae, M, Landreh, M, Rising, A, Johansson, J, Jaudzems, K, Kronqvist, N. | Deposit date: | 2020-08-09 | Release date: | 2021-08-18 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | The dimerization mechanism of the N-terminal domain of spider silk proteins is conserved despite extensive sequence divergence. J.Biol.Chem., 298, 2022
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5F2T
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![BU of 5f2t by Molmil](/molmil-images/mine/5f2t) | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - C 2 space group | Descriptor: | MAGNESIUM ION, PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase | Authors: | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | Deposit date: | 2015-12-02 | Release date: | 2016-03-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA. Nat Commun, 7, 2016
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6XKS
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![BU of 6xks by Molmil](/molmil-images/mine/6xks) | Crystal structure of domain A from the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) of Salmonella typhimurium | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Histidine ABC transporter substrate-binding protein HisJ | Authors: | Romero-Romero, S, Berrocal, T, Vergara, R, Espinoza-Perez, G, Rodriguez-Romero, A. | Deposit date: | 2020-06-27 | Release date: | 2021-07-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Thermodynamic and kinetic analysis of the LAO binding protein and its isolated domains reveal non-additivity in stability, folding and function. Febs J., 2023
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5LXD
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![BU of 5lxd by Molmil](/molmil-images/mine/5lxd) | Crystal structure of DYRK2 in complex with EHT 1610 (compound 2) | Descriptor: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 2, methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate | Authors: | Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-20 | Release date: | 2016-10-26 | Last modified: | 2017-01-11 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases. J. Med. Chem., 59, 2016
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