6S1J
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![BU of 6s1j by Molmil](/molmil-images/mine/6s1j) | Crystal Structure of DYRK1A with small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, 3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine, DIMETHYL SULFOXIDE, ... | Authors: | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | Deposit date: | 2019-06-18 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.408 Å) | Cite: | Kinase Scaffold Repurposing in the Public Domain To be published
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6S3Z
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![BU of 6s3z by Molmil](/molmil-images/mine/6s3z) | Structure Of D80A-Fructofuranosidase From Xanthophyllomyces Dendrorhous Complexed With Fructose And hydroquinone | Descriptor: | 1,2-ETHANEDIOL, 1,4-benzoquinone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ramirez-Escudero, M, Sanz-Aparicio, J. | Deposit date: | 2019-06-26 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Deciphering the molecular specificity of phenolic compounds as inhibitors or glycosyl acceptors of beta-fructofuranosidase from Xanthophyllomyces dendrorhous. Sci Rep, 9, 2019
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5MI5
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![BU of 5mi5 by Molmil](/molmil-images/mine/5mi5) | BtGH84 mutant with covalent modification by MA3 in complex with PUGNAc | Descriptor: | CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GlcNAcase BT_4395, ... | Authors: | Darby, J.F, Davies, G.J, Hubbard, R.E. | Deposit date: | 2016-11-27 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Increase of enzyme activity through specific covalent modification with fragments. Chem Sci, 8, 2017
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6S1S
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![BU of 6s1s by Molmil](/molmil-images/mine/6s1s) | Crystal structure of AmpC from Pseudomonas aeruginosa in complex with [3-(2-carboxyvinyl)phenyl]boronic acid] inhibitor | Descriptor: | (~{E})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid, Beta-lactamase, PHOSPHATE ION | Authors: | Kekez, I, Vicario, M, Bellio, P, Tosoni, E, Celenza, G, Blazquez, J, Tondi, D, Cendron, L. | Deposit date: | 2019-06-19 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Phenylboronic Acids Probing Molecular Recognition against Class A and Class C beta-lactamases. Antibiotics, 8, 2019
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6S4M
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![BU of 6s4m by Molmil](/molmil-images/mine/6s4m) | Crystal structure of the human organic anion transporter MFSD10 (TETRAN) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRIC ACID, Major facilitator superfamily domain-containing protein 10 | Authors: | Pascoa, T.C, Pike, A.C.W, Bushell, S.R, Quigley, A, Chu, A, Mukhopadhyay, S.M.M, Shrestha, L, Venkaya, S, Chalk, R, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-28 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the human organic anion transporter TETRAN (MFSD10) To be published
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6S1Y
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![BU of 6s1y by Molmil](/molmil-images/mine/6s1y) | Crystal structure of Anopheles gambiae AnoACE2 in complex with gamma-Polyglutamic Acid. | Descriptor: | (2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cozier, G.E, Acharya, K.R, Cashman, J.S. | Deposit date: | 2019-06-19 | Release date: | 2019-11-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of angiotensin-converting enzyme from Anopheles gambiae in its native form and with a bound inhibitor. Biochem.J., 476, 2019
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6S4R
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![BU of 6s4r by Molmil](/molmil-images/mine/6s4r) | The crystal structure of glycogen phosphorylase in complex with 11 | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1,3-thiazol-4-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Papaioannou, O.S.E, Solovou, T.G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2019-06-28 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design. Bioorg.Med.Chem., 28, 2020
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6S5F
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![BU of 6s5f by Molmil](/molmil-images/mine/6s5f) | Structure of the human RAB39B in complex with GMPPNP | Descriptor: | 1,2-ETHANEDIOL, GLYCINE, MAGNESIUM ION, ... | Authors: | Diaz-Saez, L, Jung, S, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | Deposit date: | 2019-07-01 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the human RAB39B in complex with GMPPNP To Be Published
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6S23
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![BU of 6s23 by Molmil](/molmil-images/mine/6s23) | Crystal structure of ene-reductase GsOYE from Galleria sulphuraria in complex with 2-methyl-cyclopenten-1-one | Descriptor: | 2-methylcyclopenta-2,4-dien-1-one, FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, ... | Authors: | Robescu, M.S, Niero, M, Hall, M, Bergantino, E, Cendron, L. | Deposit date: | 2019-06-20 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Two new ene-reductases from photosynthetic extremophiles enlarge the panel of old yellow enzymes: CtOYE and GsOYE. Appl.Microbiol.Biotechnol., 104, 2020
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5MKU
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![BU of 5mku by Molmil](/molmil-images/mine/5mku) | Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 4 and a fragment of the TIF2 co-activator. | Descriptor: | (~{E})-3-[4-oxidanyl-3-(3-propan-2-ylphenyl)phenyl]prop-2-enoic acid, HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Retinoic acid receptor RXR-alpha | Authors: | Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C. | Deposit date: | 2016-12-05 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization. ACS Chem Neurosci, 8, 2017
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6S2G
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![BU of 6s2g by Molmil](/molmil-images/mine/6s2g) | Structure Of D80A-Fructofuranosidase From Xanthophyllomyces Dendrorhous Complexed With Fructose And Epigallocatechin Gallate (Egcg) | Descriptor: | (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ramirez-Escudero, M, Sanz-Aparicio, J. | Deposit date: | 2019-06-20 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Deciphering the molecular specificity of phenolic compounds as inhibitors or glycosyl acceptors of beta-fructofuranosidase from Xanthophyllomyces dendrorhous. Sci Rep, 9, 2019
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6S36
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![BU of 6s36 by Molmil](/molmil-images/mine/6s36) | Crystal structure of E. coli Adenylate kinase R119K mutant | Descriptor: | Adenylate kinase, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2019-06-24 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Nucleation of an Activating Conformational Change by a Cation-pi Interaction. Biochemistry, 58, 2019
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6S6C
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![BU of 6s6c by Molmil](/molmil-images/mine/6s6c) | Ground state structure of Archaerhodopsin-3 at 100K | Descriptor: | Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ... | Authors: | Moraes, I, Judge, P.J, Axford, D, Kwan, T.O.C, Bada Juarez, J.F, Vinals, J, Watts, A. | Deposit date: | 2019-07-02 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Structures of the archaerhodopsin-3 transporter reveal that disordering of internal water networks underpins receptor sensitization. Nat Commun, 12, 2021
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6S3C
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![BU of 6s3c by Molmil](/molmil-images/mine/6s3c) | Fragment AZ-019 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | Deposit date: | 2019-06-25 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6S72
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![BU of 6s72 by Molmil](/molmil-images/mine/6s72) | |
6S76
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![BU of 6s76 by Molmil](/molmil-images/mine/6s76) | Crystal structure of human Nek7 | Descriptor: | DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase Nek7 | Authors: | Nasir, N, Bayliss, R. | Deposit date: | 2019-07-04 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.38 Å) | Cite: | Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine. Biochem.J., 477, 2020
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5MQS
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![BU of 5mqs by Molmil](/molmil-images/mine/5mqs) | Sialidase BT_1020 | Descriptor: | Beta-L-arabinobiosidase, CALCIUM ION, SODIUM ION, ... | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | Deposit date: | 2016-12-20 | Release date: | 2017-03-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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6ZXS
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![BU of 6zxs by Molmil](/molmil-images/mine/6zxs) | Cold grown Pea Photosystem I | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Caspy, I, Borovikova-Sheinker, A, Subramanyam, R, Nelson, N. | Deposit date: | 2020-07-30 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of cold grown pea Photosystem I To Be Published
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6S45
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![BU of 6s45 by Molmil](/molmil-images/mine/6s45) | Room temperature structure of the dark state of the LOV2 domain of phototropin-2 from Arabidopsis thaliana determined with a serial crystallography approach | Descriptor: | FLAVIN MONONUCLEOTIDE, Phototropin-2 | Authors: | Aumonier, S, Santoni, G, Gotthard, G, von Stetten, D, Leonard, G, Royant, A. | Deposit date: | 2019-06-26 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Millisecond time-resolved serial oscillation crystallography of a blue-light photoreceptor at a synchrotron. Iucrj, 7, 2020
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5MR4
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![BU of 5mr4 by Molmil](/molmil-images/mine/5mr4) | Ligand-receptor complex. | Descriptor: | DI(HYDROXYETHYL)ETHER, FORMIC ACID, GDNF family receptor alpha-2, ... | Authors: | Sandmark, J, Oster, L, Aagaard, A, Roth, R.G, Dahl, G. | Deposit date: | 2016-12-21 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and biophysical characterization of the human full-length neurturin-GFRa2 complex: A role for heparan sulfate in signaling. J. Biol. Chem., 293, 2018
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7A72
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![BU of 7a72 by Molmil](/molmil-images/mine/7a72) | Structure of G132S BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of sulbactam | Descriptor: | ACETATE ION, Beta-lactamase, GLYCEROL, ... | Authors: | Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M. | Deposit date: | 2020-08-27 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The G132S Mutation Enhances the Resistance of Mycobacterium tuberculosis beta-Lactamase against Sulbactam. Biochemistry, 60, 2021
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6S4C
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![BU of 6s4c by Molmil](/molmil-images/mine/6s4c) | Crystal Structure of the vWFA2 subdomain of type VII collagen | Descriptor: | Collagen alpha-1(VII) chain, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Gebauer, J.M, Flachsenberg, F, Baumann, U, Seeger, K. | Deposit date: | 2019-06-27 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and biophysical characterization of the type VII collagen vWFA2 subdomain leads to identification of two binding sites. Febs Open Bio, 10, 2020
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5MJB
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![BU of 5mjb by Molmil](/molmil-images/mine/5mjb) | Kinase domain of human EphB1, G703C mutant, covalently bound to a quinazoline-based inhibitor | Descriptor: | 2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide, Ephrin type-B receptor 1, SULFATE ION | Authors: | Kung, A, Schimpl, M, Chen, Y.-C, Overman, R.C, Zhang, C. | Deposit date: | 2016-11-30 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | A Chemical-Genetic Approach to Generate Selective Covalent Inhibitors of Protein Kinases. ACS Chem. Biol., 12, 2017
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7A5T
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![BU of 7a5t by Molmil](/molmil-images/mine/7a5t) | Crystal structure of A55E mutant of BlaC from Mycobacterium tuberculosis | Descriptor: | Beta-lactamase, GLYCEROL, PHOSPHATE ION | Authors: | Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M. | Deposit date: | 2020-08-21 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The G132S Mutation Enhances the Resistance of Mycobacterium tuberculosis beta-Lactamase against Sulbactam. Biochemistry, 60, 2021
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6S50
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![BU of 6s50 by Molmil](/molmil-images/mine/6s50) | |