7AYJ
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![BU of 7ayj by Molmil](/molmil-images/mine/7ayj) | Metallo beta-lactamse Vim-1 with a sulfamoyl inhibitor. | Descriptor: | 3-(4-fluorophenyl)-1-sulfamoyl-pyrrole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Farley, A.J.M, Ermolovich, I, Calvopina, K, Rabe, P, Brem, J, Schofield, C.J. | Deposit date: | 2020-11-12 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Structural Basis of Metallo-beta-lactamase Inhibition by N -Sulfamoylpyrrole-2-carboxylates. Acs Infect Dis., 7, 2021
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6T14
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![BU of 6t14 by Molmil](/molmil-images/mine/6t14) | Native structure of mosquitocidal Cyt1A protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals at pH 7 | Descriptor: | SODIUM ION, Type-1Aa cytolytic delta-endotoxin | Authors: | Tetreau, G, Banneville, A.S, Andreeva, E, Brewster, A.S, Hunter, M.S, Sierra, R.G, Young, I.D, Boutet, S, Coquelle, N, Cascio, D, Sawaya, M.R, Sauter, N.K, Colletier, J.P. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade. Nat Commun, 11, 2020
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7FID
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![BU of 7fid by Molmil](/molmil-images/mine/7fid) | Processive cleavage of substrate at individual proteolytic active sites of the Lon proteasecomplex (conformation 1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Li, S, Hsieh, K, Kuo, C, Su, S, Huang, K, Zhang, K, Chang, C.I. | Deposit date: | 2021-07-31 | Release date: | 2021-11-24 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.44 Å) | Cite: | Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex. Sci Adv, 7, 2021
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8CBF
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![BU of 8cbf by Molmil](/molmil-images/mine/8cbf) | SARS-CoV-2 Delta-RBD complexed with Omi-42 and Beta-49 Fabs | Descriptor: | Beta-49 heavy chain, Beta-49 light chain, CHLORIDE ION, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2023-01-25 | Release date: | 2024-02-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection. Nat Commun, 15, 2024
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6T1C
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![BU of 6t1c by Molmil](/molmil-images/mine/6t1c) | Structure of the C7S mutant of mosquitocidal Cyt1A protoxin obtained by Serial Femtosecond Crystallography on in vivo grown crystals at pH 7 | Descriptor: | SODIUM ION, Type-1Aa cytolytic delta-endotoxin | Authors: | Tetreau, G, Banneville, A.S, Andreeva, E, Brewster, A.S, Hunter, M.S, Sierra, R.G, Young, I.D, Boutet, S, Coquelle, N, Cascio, D, Sawaya, M.R, Sauter, N.K, Colletier, J.P. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Serial femtosecond crystallography on in vivo-grown crystals drives elucidation of mosquitocidal Cyt1Aa bioactivation cascade. Nat Commun, 11, 2020
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7FIZ
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![BU of 7fiz by Molmil](/molmil-images/mine/7fiz) | Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex (conformation 3) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Li, S, Hsieh, K, Kuo, C, Su, S, Huang, K, Zhang, K, Chang, C.I. | Deposit date: | 2021-08-01 | Release date: | 2021-11-24 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex. Sci Adv, 7, 2021
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8CBB
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5MIH
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![BU of 5mih by Molmil](/molmil-images/mine/5mih) | Crystal structure of the lectin LecA from Pseudomonas aeruginosa in complex with a phenyl-epoxy-galactopyranoside | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, PA-I galactophilic lectin, ... | Authors: | Wagner, S, Hauk, D, Hofmann, M, Joachim, I, Sommer, R, Muller, R, Imberty, A, Varrot, A, Titz, A. | Deposit date: | 2016-11-28 | Release date: | 2017-10-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Covalent Lectin Inhibition and Application in Bacterial Biofilm Imaging. Angew. Chem. Int. Ed. Engl., 56, 2017
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7EV6
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![BU of 7ev6 by Molmil](/molmil-images/mine/7ev6) | Crystal structure of the Lon-like protease MtaLonC with D581A mutation in complex with F-b20-Q | Descriptor: | Endopeptidase La, F-b20-Q peptide {ortho-aminobenzoic acid (Abz)- QLRSLNGEWRFAWFPAPEAV[Tyr(3-NO2)]A}, PHOSPHATE ION | Authors: | Hsieh, K.Y, Kuo, C.I, Su, S.C, Huang, K.F, Chang, C.I. | Deposit date: | 2021-05-20 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex. Sci Adv, 7, 2021
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7FIE
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![BU of 7fie by Molmil](/molmil-images/mine/7fie) | Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex (conformation 2) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Li, S, Hsieh, K, Kuo, C, Su, S, Huang, K, Zhang, K, Chang, C.I. | Deposit date: | 2021-07-31 | Release date: | 2021-11-24 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.36 Å) | Cite: | Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex. Sci Adv, 7, 2021
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4R4D
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![BU of 4r4d by Molmil](/molmil-images/mine/4r4d) | Racemic crystal structure of a magnesium-bound B-DNA duplex | Descriptor: | 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', MAGNESIUM ION, SODIUM ION | Authors: | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | Deposit date: | 2014-08-19 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Racemic DNA crystallography. Angew.Chem.Int.Ed.Engl., 53, 2014
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7EUX
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![BU of 7eux by Molmil](/molmil-images/mine/7eux) | Crystal structure of the Lon-like protease MtaLonC with D581A mutation in complex with substrate polypeptide | Descriptor: | ALA-PRO-GLU-ALA-VAL, Endopeptidase La, PHOSPHATE ION | Authors: | Hsieh, K.Y, Kuo, C.I, Su, S.C, Huang, K.F, Chang, C.I. | Deposit date: | 2021-05-19 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex. Sci Adv, 7, 2021
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4R5J
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![BU of 4r5j by Molmil](/molmil-images/mine/4r5j) | Crystal structure of the DnaK C-terminus (Dnak-SBD-A) | Descriptor: | CALCIUM ION, Chaperone protein DnaK, PHOSPHATE ION | Authors: | Leu, J.I, Zhang, P, Murphy, M.E, Marmorstein, R, George, D.L. | Deposit date: | 2014-08-21 | Release date: | 2014-09-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.361 Å) | Cite: | Structural Basis for the Inhibition of HSP70 and DnaK Chaperones by Small-Molecule Targeting of a C-Terminal Allosteric Pocket. Acs Chem.Biol., 9, 2014
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1AK8
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![BU of 1ak8 by Molmil](/molmil-images/mine/1ak8) | NMR SOLUTION STRUCTURE OF CERIUM-LOADED CALMODULIN AMINO-TERMINAL DOMAIN (CE2-TR1C), 23 STRUCTURES | Descriptor: | CALMODULIN, CERIUM (III) ION | Authors: | Bentrop, D, Bertini, I, Cremonini, M.A, Forsen, S, Luchinat, C, Malmendal, A. | Deposit date: | 1997-05-29 | Release date: | 1997-09-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the paramagnetic complex of the N-terminal domain of calmodulin with two Ce3+ ions by 1H NMR. Biochemistry, 36, 1997
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6VRU
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![BU of 6vru by Molmil](/molmil-images/mine/6vru) | PIM-inhibitor complex 1 | Descriptor: | 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide, ACETATE ION, IMIDAZOLE, ... | Authors: | Barberis, C.E, Batchelor, J.D, Mechin, I, Liu, J. | Deposit date: | 2020-02-10 | Release date: | 2020-11-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model. Bioorg.Med.Chem.Lett., 30, 2020
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8U8F
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![BU of 8u8f by Molmil](/molmil-images/mine/8u8f) | GPR3 Orphan G-coupled Protein Receptor in complex with Dominant Negative Gs. | Descriptor: | G-protein coupled receptor 3, 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: | Russell, I.C, Belousoff, M.J, Sexton, P. | Deposit date: | 2023-09-17 | Release date: | 2024-03-06 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Lipid-Dependent Activation of the Orphan G Protein-Coupled Receptor, GPR3. Biochemistry, 63, 2024
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4QPI
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![BU of 4qpi by Molmil](/molmil-images/mine/4qpi) | Crystal structure of hepatitis A virus | Descriptor: | CHLORIDE ION, Capsid protein VP1, Capsid protein VP2, ... | Authors: | Wang, X, Ren, J, Gao, Q, Hu, Z, Sun, Y, Li, X, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E. | Deposit date: | 2014-06-23 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Hepatitis A virus and the origins of picornaviruses. Nature, 517, 2015
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3CFJ
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8CKN
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6PQ5
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1AD5
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![BU of 1ad5 by Molmil](/molmil-images/mine/1ad5) | SRC FAMILY KINASE HCK-AMP-PNP COMPLEX | Descriptor: | CALCIUM ION, HAEMATOPOETIC CELL KINASE HCK, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Sicheri, F, Moarefi, I, Kuriyan, J. | Deposit date: | 1997-02-20 | Release date: | 1997-05-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the Src family tyrosine kinase Hck. Nature, 385, 1997
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8F3C
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![BU of 8f3c by Molmil](/molmil-images/mine/8f3c) | Cryo-EM consensus structure of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase minus preQ1 ligand | Descriptor: | DNA (38-MER), DNA (39-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Porta, J.C, Chauvier, A, Deb, I, Ellinger, E, Frank, A.T, Meze, K, Ohi, M.D, Walter, N.G. | Deposit date: | 2022-11-09 | Release date: | 2023-06-21 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand. Nat.Struct.Mol.Biol., 30, 2023
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7SVT
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![BU of 7svt by Molmil](/molmil-images/mine/7svt) | Mycobacterium tuberculosis 3-hydroxyl-ACP dehydratase HadAB in complex with 1,3-diarylpyrazolyl-acylsulfonamide inhibitor | Descriptor: | (3R)-hydroxyacyl-ACP dehydratase subunit HadB, 1,2-ETHANEDIOL, 3-[1-(4-bromophenyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(methanesulfonyl)propanamide, ... | Authors: | Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2021-11-19 | Release date: | 2022-11-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 1,3-Diarylpyrazolyl-acylsulfonamides Target HadAB/BC Complex in Mycobacterium tuberculosis . Acs Infect Dis., 8, 2022
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8QCF
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![BU of 8qcf by Molmil](/molmil-images/mine/8qcf) | yeast cytoplasmic exosome-Ski2 complex degrading a RNA substrate | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Antiviral helicase SKI2, Exosome complex component CSL4, ... | Authors: | Keidel, A, Koegel, A, Reichelt, P, Kowalinski, E, Schaefer, I.B, Conti, E. | Deposit date: | 2023-08-25 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (2.55 Å) | Cite: | Concerted structural rearrangements enable RNA channeling into the cytoplasmic Ski238-Ski7-exosome assembly. Mol.Cell, 83, 2023
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5MU8
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![BU of 5mu8 by Molmil](/molmil-images/mine/5mu8) | HUMAN TNF-ALPHA IN COMPLEX WITH JNJ525 | Descriptor: | Tumor necrosis factor, ~{N}4-(phenylmethyl)-~{N}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine | Authors: | Blevitt, J.M, Hack, M.D, Herman, K.L, Jackson, P.F, Krawczuk, P.J, Lebsack, A.D, Liu, A.X, Mirzadegan, T, Nelen, M.I, Patrick, A.P, Steinbacher, S, Milla, M.E, Lumb, K.J. | Deposit date: | 2017-01-12 | Release date: | 2017-03-29 | Last modified: | 2019-02-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis of Small-Molecule Aggregate Induced Inhibition of a Protein-Protein Interaction. J. Med. Chem., 60, 2017
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