5MU1
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![BU of 5mu1 by Molmil](/molmil-images/mine/5mu1) | UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum soaked with K2PtI6 | Descriptor: | CALCIUM ION, IODIDE ION, PLATINUM (II) ION, ... | Authors: | Roversi, P, Caputo, A.T, Hill, J, Alonzi, D.S, Zitzmann, N. | Deposit date: | 2017-01-11 | Release date: | 2017-07-26 | Last modified: | 2023-03-08 | Method: | X-RAY DIFFRACTION (3.48 Å) | Cite: | Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6RLC
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![BU of 6rlc by Molmil](/molmil-images/mine/6rlc) | Crystal structure of the PDZ tandem of syntenin in complex with fragment F13 | Descriptor: | (2~{S})-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid, ACETATE ION, Syntenin-1 | Authors: | Feracci, M, Barral, K. | Deposit date: | 2019-05-02 | Release date: | 2021-02-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Pharmacological inhibition of syntenin PDZ2 domain impairs breast cancer cell activities and exosome loadifing with syndecan and EpCAM cargo. J Extracell Vesicles, 10, 2020
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7C64
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![BU of 7c64 by Molmil](/molmil-images/mine/7c64) | Crystal structure of beta-glycosides-binding protein of ABC transporter in an open state (Form II) | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CARBON DIOXIDE, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-21 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers. J.Mol.Biol., 432, 2020
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7C6T
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![BU of 7c6t by Molmil](/molmil-images/mine/7c6t) | Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to laminaritriose (Form I) | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, CHLORIDE ION, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-22 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers. J.Mol.Biol., 432, 2020
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6RM7
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![BU of 6rm7 by Molmil](/molmil-images/mine/6rm7) | Fragment AZ-026 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Somsen, B, Wolter, M, Guillory, X, Genet, S, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-05-05 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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7CFA
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![BU of 7cfa by Molmil](/molmil-images/mine/7cfa) | |
6RMF
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![BU of 6rmf by Molmil](/molmil-images/mine/6rmf) | Crystal structure of NDM-1 with VNRX-5133 | Descriptor: | (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide, (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Metallo-beta-lactamase type 2, ... | Authors: | Hinchliffe, P, Spencer, J, Brem, J, Schofield, C.J. | Deposit date: | 2019-05-06 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases. J.Med.Chem., 62, 2019
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6RMT
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5MV4
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![BU of 5mv4 by Molmil](/molmil-images/mine/5mv4) | ACC1 Fab fragment in complex with citrullinated CII616-639 epitope of collagen type II (ptm23) | Descriptor: | ACC1 antibody Fab fragment, heavy chain, light chain, ... | Authors: | Dobritzsch, D, Holmdahl, R, Ge, C. | Deposit date: | 2017-01-15 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage. JCI Insight, 2, 2017
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7C7F
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![BU of 7c7f by Molmil](/molmil-images/mine/7c7f) | Crystal structures of AKR1C3 binary complex with NADP+ | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase family 1 member C3, ... | Authors: | Irie, K, Toyooka, N, Endo, S. | Deposit date: | 2020-05-25 | Release date: | 2020-09-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer. J.Med.Chem., 63, 2020
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5MVM
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5MDN
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![BU of 5mdn by Molmil](/molmil-images/mine/5mdn) | Structure of the family B DNA polymerase from the hyperthermophilic archaeon Pyrobaculum calidifontis | Descriptor: | DNA polymerase, MAGNESIUM ION | Authors: | Guo, J, Zhang, W, Coker, A.R, Wood, S.P, Cooper, J.B, Rashid, N, Akhtar, M. | Deposit date: | 2016-11-12 | Release date: | 2016-12-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the family B DNA polymerase from the hyperthermophilic archaeon Pyrobaculum calidifontis. Acta Crystallogr D Struct Biol, 73, 2017
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7C8W
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![BU of 7c8w by Molmil](/molmil-images/mine/7c8w) | Structure of sybody MR17 in complex with the SARS-CoV-2 S receptor-binding domain (RBD) | Descriptor: | GLYCEROL, Spike protein S1, Synthetic nanobody MR17, ... | Authors: | Li, T, Cai, H, Yao, H, Qin, W, Li, D. | Deposit date: | 2020-06-03 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection. Nat Commun, 12, 2021
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6RP1
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![BU of 6rp1 by Molmil](/molmil-images/mine/6rp1) | 1.49 A RESOLUTION OF SPOROSARCINA PASTEURII UREASE INHIBITED IN THE PRESENCE OF NBPTO AT pH 6.5 | Descriptor: | 1,2-ETHANEDIOL, DIAMIDOPHOSPHATE, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Benini, S, Ciurli, S. | Deposit date: | 2019-05-13 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | The Impact of pH on Catalytically Critical Protein Conformational Changes: The Case of the Urease, a Nickel Enzyme. Chemistry, 25, 2019
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5MWP
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![BU of 5mwp by Molmil](/molmil-images/mine/5mwp) | The structure of MR in complex with AZD9977. | Descriptor: | 2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, Mineralocorticoid receptor, NCOA1 peptide | Authors: | Edman, K, Aagaard, A, Backstrom, S. | Deposit date: | 2017-01-19 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion. PLoS ONE, 13, 2018
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5MWY
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![BU of 5mwy by Molmil](/molmil-images/mine/5mwy) | The structure of MR in complex with eplerenone. | Descriptor: | Mineralocorticoid receptor, NCOA1, eplerenone | Authors: | Edman, K, Aagaard, A, Backstrom, S. | Deposit date: | 2017-01-20 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion. PLoS ONE, 13, 2018
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7COZ
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![BU of 7coz by Molmil](/molmil-images/mine/7coz) | Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-41 | Descriptor: | 1,2-ETHANEDIOL, 1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide, Glutaminyl-peptide cyclotransferase, ... | Authors: | Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J. | Deposit date: | 2020-08-05 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Piperidine-4-carboxamide as a new scaffold for designing secretory glutaminyl cyclase inhibitors. Int.J.Biol.Macromol., 170, 2020
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6RLW
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7CCA
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![BU of 7cca by Molmil](/molmil-images/mine/7cca) | Crystal structure of White Spot Syndrome Virus Thymidylate Synthase - ternary complex with Methotrexate and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, Thymidylate Synthase | Authors: | Panchal, N.V, Kumar, S, Shaikh, N, Vasudevan, D. | Deposit date: | 2020-06-16 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure analysis of thymidylate synthase from white spot syndrome virus reveals WSSV-specific structural elements. Int.J.Biol.Macromol., 167, 2021
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6RMJ
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![BU of 6rmj by Molmil](/molmil-images/mine/6rmj) | Crystal structure of human NGR-TNF | Descriptor: | Tumor necrosis factor | Authors: | Degano, M, Garau, G. | Deposit date: | 2019-05-07 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Mechanism of Action of the Tumor Vessel Targeting Agent NGR-hTNF: Role of Both NGR Peptide and hTNF in Cell Binding and Signaling. Int J Mol Sci, 20, 2019
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6RR5
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![BU of 6rr5 by Molmil](/molmil-images/mine/6rr5) | Structure of 50% reduced KpDyP | Descriptor: | GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ... | Authors: | Pfanzagl, V, Beale, J, Hofbauer, S. | Deposit date: | 2019-05-17 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner. J.Biol.Chem., 295, 2020
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7CDI
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![BU of 7cdi by Molmil](/molmil-images/mine/7cdi) | Crystal structure of SARS-CoV-2 antibody P2C-1F11 with RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ... | Authors: | Wang, X, Zhang, L, Ge, J, Wang, R. | Deposit date: | 2020-06-19 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry. Nat Commun, 12, 2021
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6RMV
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![BU of 6rmv by Molmil](/molmil-images/mine/6rmv) | The crystal structure of a TRP channel peptide bound to a G protein beta gamma heterodimer | Descriptor: | GLYCEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Gruss, F, Oberwinkler, J, Ulens, C. | Deposit date: | 2019-05-07 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | The structural basis for an on-off switch controlling G beta gamma-mediated inhibition of TRPM3 channels. Proc.Natl.Acad.Sci.USA, 117, 2020
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5MK4
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![BU of 5mk4 by Molmil](/molmil-images/mine/5mk4) | Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 7 and a fragment of the TIF2 co-activator. | Descriptor: | (~{E})-3-[3-(2-methyl-5-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid, CHLORIDE ION, Nuclear receptor coactivator 2, ... | Authors: | Andrei, S.A, Scheepstra, M, Brunsveld, L, Ottmann, C. | Deposit date: | 2016-12-02 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization. ACS Chem Neurosci, 8, 2017
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6RS1
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![BU of 6rs1 by Molmil](/molmil-images/mine/6rs1) | |