4QNM
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![BU of 4qnm by Molmil](/molmil-images/mine/4qnm) | CRYSTAL STRUCTURE of PSPF(1-265) E108Q MUTANT | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Psp operon transcriptional activator | Authors: | Darbari, V.C, Lawton, E, Lu, D, Burrows, P.C, Wiesler, S, Joly, N, Zhang, N, Zhang, X, Buck, M. | Deposit date: | 2014-06-18 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.628 Å) | Cite: | Molecular basis of nucleotide-dependent substrate engagement and remodeling by an AAA+ activator. Nucleic Acids Res., 42, 2014
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3ZRE
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![BU of 3zre by Molmil](/molmil-images/mine/3zre) | Reduced Thiol peroxidase (Tpx) from yersinia Pseudotuberculosis | Descriptor: | THIOL PEROXIDASE | Authors: | Gabrielsen, M, Zetterstrom, C.E, Wang, D, Elofsson, M, Roe, A.J. | Deposit date: | 2011-06-15 | Release date: | 2012-03-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Characterisation of Tpx from Yersinia Pseudotuberculosis Reveals Insights Into the Binding of Salicylidene Acylhydrazide Compounds. Plos One, 7, 2012
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8CW2
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![BU of 8cw2 by Molmil](/molmil-images/mine/8cw2) | Crystal structure of TDP1 complexed with compound XZ760 | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid, ... | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | Deposit date: | 2022-05-18 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.811 Å) | Cite: | Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification. Rsc Chem Biol, 4, 2023
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7BQ9
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![BU of 7bq9 by Molmil](/molmil-images/mine/7bq9) | Crystal structure of ASFV p15 | Descriptor: | 60 kDa polyprotein | Authors: | Fu, D, Chen, C, Guo, Y. | Deposit date: | 2020-03-24 | Release date: | 2020-06-24 | Method: | X-RAY DIFFRACTION (2.612 Å) | Cite: | Structure of a bifunctional membrane-DNA binding protein, African swine fever virus p15 Protein Cell, 2020
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5MF5
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![BU of 5mf5 by Molmil](/molmil-images/mine/5mf5) | PA3825-EAL Mg-CdG Structure | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Diguanylate phosphodiesterase, MAGNESIUM ION | Authors: | Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M. | Deposit date: | 2016-11-17 | Release date: | 2016-12-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases. Sci Rep, 7, 2017
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5MEI
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![BU of 5mei by Molmil](/molmil-images/mine/5mei) | Crystal structure of Agelastatin A bound to the 80S ribosome | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | Authors: | McClary, B, Zinshteyn, B, Meyer, M, Jouanneau, M, Pellegrino, S, Yusupova, G, Schuller, A, Reyes, J.C.P, Lu, J, Luo, C, Dang, Y, Romo, D, Yusupov, M, Green, R, Liu, J.O. | Deposit date: | 2016-11-15 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Inhibition of Eukaryotic Translation by the Antitumor Natural Product Agelastatin A. Cell Chem Biol, 24, 2017
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8CVQ
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![BU of 8cvq by Molmil](/molmil-images/mine/8cvq) | Crystal structure of TDP1 complexed with compound XZ761 | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid, ... | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | Deposit date: | 2022-05-18 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification. Rsc Chem Biol, 4, 2023
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2I1Y
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![BU of 2i1y by Molmil](/molmil-images/mine/2i1y) | Crystal structure of the phosphatase domain of human PTP IA-2 | Descriptor: | GLYCEROL, Receptor-type tyrosine-protein phosphatase | Authors: | Faber-Barata, J, Patskovsky, Y, Alvarado, J, Smith, D, Koss, J, Wasserman, S.R, Ozyurt, S, Atwell, S, Powell, A, Kearins, M.C, Maletic, M, Rooney, I, Bain, K.T, Freeman, M, Russell, J.C, Thompson, D.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-08-15 | Release date: | 2006-08-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structural genomics of protein phosphatases J.STRUCT.FUNCT.GENOM., 8, 2007
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5MJY
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5MVC
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![BU of 5mvc by Molmil](/molmil-images/mine/5mvc) | Crystal structure of potent human Dihydroorotate Dehydrogenase inhibitors based on hydroxylated azole scaffolds | Descriptor: | 4-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]-1,2,5-thiadiazole-3-carboxamide, ACETATE ION, CHLORIDE ION, ... | Authors: | Goyal, P, Andersson, M, Moritzer, A.C, Sainas, S, Pippione, A.C, Boschi, D, Al-Kadaraghi, S, Lolli, M, Friemann, R. | Deposit date: | 2017-01-16 | Release date: | 2017-03-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds. Eur J Med Chem, 129, 2017
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4QHN
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![BU of 4qhn by Molmil](/molmil-images/mine/4qhn) | I2 (unbound) from CH103 Lineage | Descriptor: | I2 heavy chain, I2 light chain | Authors: | Fera, D, Harrison, S.C. | Deposit date: | 2014-05-28 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Affinity maturation in an HIV broadly neutralizing B-cell lineage through reorientation of variable domains. Proc.Natl.Acad.Sci.USA, 111, 2014
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7ZZ5
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![BU of 7zz5 by Molmil](/molmil-images/mine/7zz5) | Cryo-EM structure of "BC open" conformation of Lactococcus lactis pyruvate carboxylase with acetyl-CoA | Descriptor: | ACETYL COENZYME *A, BICARBONATE ION, Pyruvate carboxylase | Authors: | Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M. | Deposit date: | 2022-05-25 | Release date: | 2022-10-12 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.43 Å) | Cite: | CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase. Nat Commun, 13, 2022
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7BON
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![BU of 7bon by Molmil](/molmil-images/mine/7bon) | Crystal structure of recombinant horse spleen apo-R52C/E56C/R59C/E63C-Fr | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | Authors: | Hishikawa, Y, Maity, B, Ito, N, Abe, S, Lu, D, Ueno, T. | Deposit date: | 2020-03-19 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Design of Multinuclear Gold Binding Site at the Two-fold Symmetric Interface of the Ferritin Cage Chem Lett., 49, 2021
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4RAB
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![BU of 4rab by Molmil](/molmil-images/mine/4rab) | Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Keough, D.T, Hockov, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | Deposit date: | 2014-09-10 | Release date: | 2015-01-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.264 Å) | Cite: | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents. J.Med.Chem., 58, 2015
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5MA4
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![BU of 5ma4 by Molmil](/molmil-images/mine/5ma4) | GFP-binding DARPin fusion gc_K7 | Descriptor: | Green fluorescent protein, K7 | Authors: | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | Deposit date: | 2016-11-03 | Release date: | 2017-11-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity. Sci Rep, 7, 2017
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2HY3
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![BU of 2hy3 by Molmil](/molmil-images/mine/2hy3) | Crystal structure of the human tyrosine receptor phosphate gamma in complex with vanadate | Descriptor: | Receptor-type tyrosine-protein phosphatase gamma, VANADATE ION | Authors: | Jin, X, Min, T, Bera, A, Mu, H, Sauder, J.M, Freeman, J.C, Reyes, C, Smith, D, Wasserman, S.R, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-08-04 | Release date: | 2006-09-05 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural genomics of protein phosphatases. J.STRUCT.FUNCT.GENOM., 8, 2007
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7ZYZ
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![BU of 7zyz by Molmil](/molmil-images/mine/7zyz) | Cryo-EM structure of "CT oxa" conformation of Lactococcus lactis pyruvate carboxylase with acetyl-CoA | Descriptor: | MANGANESE (II) ION, OXALOACETATE ION, Pyruvate carboxylase | Authors: | Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M. | Deposit date: | 2022-05-25 | Release date: | 2022-10-12 | Last modified: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (2.47 Å) | Cite: | CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase. Nat Commun, 13, 2022
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7ZZ3
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![BU of 7zz3 by Molmil](/molmil-images/mine/7zz3) | Cryo-EM structure of "BC react" conformation of Lactococcus lactis pyruvate carboxylase with acetyl-CoA | Descriptor: | ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M. | Deposit date: | 2022-05-25 | Release date: | 2022-10-12 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.41 Å) | Cite: | CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase. Nat Commun, 13, 2022
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5MBH
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![BU of 5mbh by Molmil](/molmil-images/mine/5mbh) | Structure of a bacterial light-regulated adenylyl cyclase | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, FLAVIN MONONUCLEOTIDE | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | Deposit date: | 2016-11-08 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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7ZZ8
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![BU of 7zz8 by Molmil](/molmil-images/mine/7zz8) | Cryo-EM structure of Lactococcus lactis pyruvate carboxylase with acetyl-CoA and cyclic di-AMP | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M. | Deposit date: | 2022-05-25 | Release date: | 2022-10-12 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase. Nat Commun, 13, 2022
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8CWI
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![BU of 8cwi by Molmil](/molmil-images/mine/8cwi) | Fab arm of antibody 10G4 bound to CoV-2 receptor binding domain (RBD) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Heavy chain of Fab arm of antibody 10G4, ... | Authors: | Langley, D.B, Christ, D. | Deposit date: | 2022-05-19 | Release date: | 2023-05-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.873 Å) | Cite: | Neutralization of CoV-2 omicron lineages by affinity-matured class 5 antibodies To Be Published
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5N5E
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![BU of 5n5e by Molmil](/molmil-images/mine/5n5e) | |
8CWJ
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![BU of 8cwj by Molmil](/molmil-images/mine/8cwj) | |
5N6Y
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![BU of 5n6y by Molmil](/molmil-images/mine/5n6y) | Azotobacter vinelandii vanadium nitrogenase | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, C Fe7 S8 V, CARBONATE ION, ... | Authors: | Sippel, D, Einsle, O. | Deposit date: | 2017-02-16 | Release date: | 2017-07-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The structure of vanadium nitrogenase reveals an unusual bridging ligand. Nat. Chem. Biol., 13, 2017
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7ZZ1
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![BU of 7zz1 by Molmil](/molmil-images/mine/7zz1) | Cryo-EM structure of "CT react" conformation of Lactococcus lactis pyruvate carboxylase with acetyl-CoA | Descriptor: | BIOTIN, MAGNESIUM ION, MANGANESE (II) ION, ... | Authors: | Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M. | Deposit date: | 2022-05-25 | Release date: | 2022-10-12 | Last modified: | 2022-11-02 | Method: | ELECTRON MICROSCOPY (2.27 Å) | Cite: | CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase. Nat Commun, 13, 2022
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