8DHR
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![BU of 8dhr by Molmil](/molmil-images/mine/8dhr) | An ester mutant of SfGFP | Descriptor: | Green fluorescent protein | Authors: | Reddi, R, Valiyaveetil, F.I. | Deposit date: | 2022-06-28 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A facile approach for incorporating tyrosine esters to probe ion-binding sites and backbone hydrogen bonds. J.Biol.Chem., 300, 2023
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8DS5
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![BU of 8ds5 by Molmil](/molmil-images/mine/8ds5) | X-ray structure of the MK5890 Fab - CD27 antibody-antigen complex | Descriptor: | CADMIUM ION, CD27 antigen, MK-5890 Fab heavy chain, ... | Authors: | Fischmann, T.O. | Deposit date: | 2022-07-21 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.926 Å) | Cite: | Preclinical characterization and clinical translation of pharmacodynamic markers for MK-5890: a human CD27 activating antibody for cancer immunotherapy. J Immunother Cancer, 10, 2022
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8DWA
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8DXT
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![BU of 8dxt by Molmil](/molmil-images/mine/8dxt) | Fab arm of antibody GAR12 bound to the receptor binding domain of SARS-CoV-2. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab arm of antibody GAR12, Light chain of Fab arm of antibody GAR12, ... | Authors: | Langley, D.B, Christ, D, Henry, J.Y. | Deposit date: | 2022-08-03 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Broadly neutralizing SARS-CoV-2 antibodies through epitope-based selection from convalescent patients. Nat Commun, 14, 2023
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8DND
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8EV1
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![BU of 8ev1 by Molmil](/molmil-images/mine/8ev1) | Dual Modulators | Descriptor: | (3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, Estrogen Receptor, ... | Authors: | Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G. | Deposit date: | 2022-10-19 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors. Eur.J.Med.Chem., 246, 2022
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7M2H
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7M2J
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7M2I
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7MSQ
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7N6M
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![BU of 7n6m by Molmil](/molmil-images/mine/7n6m) | Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RQKPLLGLSR | Descriptor: | Alkaline phosphatase peptide, Chaperone protein DnaK, SULFATE ION | Authors: | Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C. | Deposit date: | 2021-06-08 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MN0
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7MKC
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4MAZ
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![BU of 4maz by Molmil](/molmil-images/mine/4maz) | The Structure of MalL mutant enzyme V200S from Bacillus subtilus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ... | Authors: | Hobbs, J.K, Jiao, W, Easter, A.D, Parker, E.J, Schipper, L.A, Arcus, V.L. | Deposit date: | 2013-08-18 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Change in heat capacity for enzyme catalysis determines temperature dependence of enzyme catalyzed rates. Acs Chem.Biol., 8, 2013
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4MB1
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![BU of 4mb1 by Molmil](/molmil-images/mine/4mb1) | The Structure of MalL mutant enzyme G202P from Bacillus subtilus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Oligo-1,6-glucosidase 1 | Authors: | Hobbs, J.K, Jiao, W, Easter, A.D, Parker, E.J, Schipper, L.A, Arcus, V.L. | Deposit date: | 2013-08-19 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Change in heat capacity for enzyme catalysis determines temperature dependence of enzyme catalyzed rates. Acs Chem.Biol., 8, 2013
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7MYF
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![BU of 7myf by Molmil](/molmil-images/mine/7myf) | Ubiquitin variant UbV.k.1 in complex with Ube2k | Descriptor: | Ubiquitin, Ubiquitin variant UbV.k.1, Ubiquitin-conjugating enzyme E2 K | Authors: | Middleton, A.J, Day, C.L, Teyra, J, Sidhu, S.S. | Deposit date: | 2021-05-21 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Identification of Ubiquitin Variants That Inhibit the E2 Ubiquitin Conjugating Enzyme, Ube2k. Acs Chem.Biol., 16, 2021
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7NG7
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![BU of 7ng7 by Molmil](/molmil-images/mine/7ng7) | Src kinase bound to eCF506 trapped in inactive conformation | Descriptor: | 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate | Authors: | Lietha, D, Unciti-Broceta, A. | Deposit date: | 2021-02-08 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Conformation Selective Mode of Inhibiting SRC Improves Drug Efficacy and Tolerability. Cancer Res., 81, 2021
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4M56
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![BU of 4m56 by Molmil](/molmil-images/mine/4m56) | The Structure of Wild-type MalL from Bacillus subtilis | Descriptor: | D-glucose, GLYCEROL, Oligo-1,6-glucosidase 1, ... | Authors: | Hobbs, J.K, Jiao, W, Easter, A.D, Parker, E.J, Schipper, L.A, Arcus, V.L. | Deposit date: | 2013-08-08 | Release date: | 2013-10-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Change in heat capacity for enzyme catalysis determines temperature dependence of enzyme catalyzed rates. Acs Chem.Biol., 8, 2013
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4LZS
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![BU of 4lzs by Molmil](/molmil-images/mine/4lzs) | Crystal Structure of BRD4(1) bound to inhibitor XD46 | Descriptor: | 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Huegle, M, Einsle, O, Gerhardt, S. | Deposit date: | 2013-08-01 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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7NKW
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![BU of 7nkw by Molmil](/molmil-images/mine/7nkw) | Endothiapepsin structure obtained at 298K after a soaking with fragment JFD03909 from a dataset collected with JUNGFRAU detector | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin | Authors: | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | Deposit date: | 2021-02-19 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Endothiapepsin structure obtained at 298K after a soaking with fragment JFD03909 from a dataset collected with JUNGFRAU detector To Be Published
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7N2X
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![BU of 7n2x by Molmil](/molmil-images/mine/7n2x) | The crystal structure of an FMN-dependent NADH:quinone oxidoreductase, AzoR from Escherichia coli | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-AMINO-ACRYLIC ACID, ... | Authors: | Arcinas, A.J, Fedorov, E, Kelly, L, Almo, S.C, Ghosh, A. | Deposit date: | 2021-05-30 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Uncovering a novel mechanism of enzyme activation in multimeric azoreductases To Be Published
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4MNQ
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![BU of 4mnq by Molmil](/molmil-images/mine/4mnq) | TCR-peptide specificity overrides affinity enhancing TCR-MHC interactions | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Rizkallah, P.J, Cole, D.K, Sewell, A.K, Jakobsen, B.K. | Deposit date: | 2013-09-11 | Release date: | 2013-11-13 | Last modified: | 2017-08-02 | Method: | X-RAY DIFFRACTION (2.742 Å) | Cite: | T-cell receptor (TCR)-peptide specificity overrides affinity-enhancing TCR-major histocompatibility complex interactions. J.Biol.Chem., 289, 2014
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4MXA
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![BU of 4mxa by Molmil](/molmil-images/mine/4mxa) | CDPK1 from Neospora caninum in complex with inhibitor RM-1-132 | Descriptor: | 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related | Authors: | Merritt, E.A. | Deposit date: | 2013-09-26 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy. Plos One, 9, 2014
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4MPO
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![BU of 4mpo by Molmil](/molmil-images/mine/4mpo) | 1.90 A resolution structure of CT771 from Chlamydia trachomatis Bound to Hydrolyzed Ap4A Products | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORIDE ION, CT771, ... | Authors: | Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S. | Deposit date: | 2013-09-13 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Chlamydia trachomatis CT771 (nudH) Is an Asymmetric Ap4A Hydrolase. Biochemistry, 53, 2014
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7NWK
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![BU of 7nwk by Molmil](/molmil-images/mine/7nwk) | Crystal structure of CDK9-Cyclin T1 bound by compound 6 | Descriptor: | Cyclin-T1, Cyclin-dependent kinase 9, N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide | Authors: | Collie, G.W, Ferguson, A.D. | Deposit date: | 2021-03-16 | Release date: | 2021-10-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Discovery of a Series of 7-Azaindoles as Potent and Highly Selective CDK9 Inhibitors for Transient Target Engagement. J.Med.Chem., 64, 2021
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