8OGW
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![BU of 8ogw by Molmil](/molmil-images/mine/8ogw) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D02 | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | Deposit date: | 2023-03-20 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D02 To Be Published
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8OHF
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![BU of 8ohf by Molmil](/molmil-images/mine/8ohf) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F04 | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | Deposit date: | 2023-03-21 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F04 To Be Published
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8AAC
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8OHO
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![BU of 8oho by Molmil](/molmil-images/mine/8oho) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H11 | Descriptor: | 1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea, Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ... | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | Deposit date: | 2023-03-21 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H11 To Be Published
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5I0A
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![BU of 5i0a by Molmil](/molmil-images/mine/5i0a) | RecA mini intein in complex with cisplatin | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, Cisplatin, Intein, ... | Authors: | Li, Z, Zhang, J, Li, H.M. | Deposit date: | 2016-02-03 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural insights into protein splicing inhibition by platinum therapeutics as potential anti-microbials To be published
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3C4S
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![BU of 3c4s by Molmil](/molmil-images/mine/3c4s) | Crystal structure of the Ssl0352 protein from Synechocystis sp. Northeast Structural Genomics Consortium target SgR42 | Descriptor: | Ssl0352 protein | Authors: | Vorobiev, S.M, Chen, Y, Seetharaman, J, Wang, D, Maglaqui, M, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-01-30 | Release date: | 2008-02-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the Ssl0352 protein from Synechocystis sp. To be Published
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4P9K
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![BU of 4p9k by Molmil](/molmil-images/mine/4p9k) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM VERMINEPHROBACTER EISENIAE EF01-2 (Veis_3954, TARGET EFI-510324) A NEPHRIDIAL SYMBIONT OF THE EARTHWORM EISENIA FOETIDA, BOUND TO D-ERYTHRONATE WITH RESIDUAL DENSITY SUGGESTIVE OF SUPERPOSITION WITH COPURIFIED ALTERNATIVE LIGAND. | Descriptor: | (2R,3R)-2,3,4-trihydroxybutanoic acid, TRAP dicarboxylate transporter, DctP subunit | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-04-04 | Release date: | 2014-05-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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4PAI
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![BU of 4pai by Molmil](/molmil-images/mine/4pai) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RUEGERIA POMEROYI DSS-3 (SPO1773, TARGET EFI-510260) WITH BOUND 3-HYDROXYBENZOATE | Descriptor: | 3-HYDROXYBENZOIC ACID, TRAP dicarboxylate transporter, DctP subunit, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-04-09 | Release date: | 2014-05-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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1H97
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![BU of 1h97 by Molmil](/molmil-images/mine/1h97) | Trematode hemoglobin from Paramphistomum epiclitum | Descriptor: | Globin-3, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Pesce, A, Dewilde, S, Kiger, L, Milani, M, Ascenzi, P, Marden, M.C, Van Hauwaert, M.L, Vanfleteren, J, Moens, L, Bolognesi, M. | Deposit date: | 2001-03-02 | Release date: | 2001-06-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Very High Resolution Structure of a Trematode Hemoglobin Displaying a Tyrb10-Tyre7 Heme Distal Residue Pair and High Oxygen Affinity J.Mol.Biol., 309, 2001
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5JYJ
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![BU of 5jyj by Molmil](/molmil-images/mine/5jyj) | Crystal structure of mouse JUNO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sperm-egg fusion protein Juno | Authors: | Kato, K, Nishimasu, H, Morita, J, Ishitani, R, Nureki, O. | Deposit date: | 2016-05-14 | Release date: | 2017-05-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the egg IZUMO1 receptor JUNO To Be Published
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5JYP
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![BU of 5jyp by Molmil](/molmil-images/mine/5jyp) | Allosteric inhibition of Kidney Isoform of Glutaminase | Descriptor: | 2-phenyl-~{N}-[5-[(1~{S},3~{S})-3-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial | Authors: | Ramachandran, S, Sivaraman, J. | Deposit date: | 2016-05-15 | Release date: | 2016-08-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Structural basis for exploring the allosteric inhibition of human kidney type glutaminase. Oncotarget, 7, 2016
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3BMQ
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![BU of 3bmq by Molmil](/molmil-images/mine/3bmq) | Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX5) | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-(benzylsulfanyl)pyrimidine-2,4-diamine, ACETATE ION, ... | Authors: | Martini, V.P, Iulek, J, Hunter, W.N. | Deposit date: | 2007-12-13 | Release date: | 2008-12-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
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8AE7
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![BU of 8ae7 by Molmil](/molmil-images/mine/8ae7) | The strucuture of Compound 15 bound to CK2alpha | Descriptor: | 2-[5,6-bis(bromanyl)-1H-indazol-3-yl]ethanenitrile, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Brear, P, De Fusco, C, Atkinson, E, Frances, N, Iegre, J, Venkitaraman, A, Hyvonen, M, Spring, D. | Deposit date: | 2022-07-12 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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5DHU
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![BU of 5dhu by Molmil](/molmil-images/mine/5dhu) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor | Descriptor: | 5'-azido-5'-deoxy-8-[(2-{[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine, CITRIC ACID, GLYCEROL, ... | Authors: | Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G. | Deposit date: | 2015-08-31 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | 8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode. Eur.J.Med.Chem., 124, 2016
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8ADA
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![BU of 8ada by Molmil](/molmil-images/mine/8ada) | Crystal structure of ClpC2 N-terminal domain | Descriptor: | Uncharacterized protein Rv2667 | Authors: | Taylor, G, Cui, H.J, Leodolter, J, Giese, C, Weber-Ban, E. | Deposit date: | 2022-07-08 | Release date: | 2023-03-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | ClpC2 protects mycobacteria against a natural antibiotic targeting ClpC1-dependent protein degradation. Commun Biol, 6, 2023
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1HD1
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![BU of 1hd1 by Molmil](/molmil-images/mine/1hd1) | HETEROGENEOUS NUCLEAR RIBONUCLEOPROTEIN D0 (HNRNP D0 RBD1), NMR | Descriptor: | PROTEIN (HETEROGENEOUS NUCLEAR RIBONUCLEOPROTEIN D0) | Authors: | Nagata, T, Kurihara, Y, Matsuda, G, Saeki, J, Kohno, T, Yanagida, Y, Ishikawa, F, Uesugi, S, Katahira, M. | Deposit date: | 1999-05-18 | Release date: | 2000-05-18 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structure and interactions with RNA of the N-terminal UUAG-specific RNA-binding domain of hnRNP D0. J.Mol.Biol., 287, 1999
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5K2J
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8AXV
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![BU of 8axv by Molmil](/molmil-images/mine/8axv) | Structure of an open form of CHIKV nsP1 capping pores | Descriptor: | 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one, ZINC ION, mRNA-capping enzyme nsP1 | Authors: | Reguera, J, Jones, R, Hons, M. | Deposit date: | 2022-09-01 | Release date: | 2023-03-29 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis and dynamics of Chikungunya alphavirus RNA capping by nsP1 capping pores. Proc.Natl.Acad.Sci.USA, 120, 2023
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5K0Y
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![BU of 5k0y by Molmil](/molmil-images/mine/5k0y) | m48S late-stage initiation complex, purified from rabbit reticulocytes lysates, displaying eIF2 ternary complex and eIF3 i and g subunits relocated to the intersubunit face | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S12, 40S ribosomal protein S21, ... | Authors: | Simonetti, A, Brito Querido, J, Myasnikov, A.G, Mancera-Martinez, E, Renaud, A, Kuhn, L, Hashem, Y. | Deposit date: | 2016-05-17 | Release date: | 2016-07-13 | Last modified: | 2018-04-18 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | eIF3 Peripheral Subunits Rearrangement after mRNA Binding and Start-Codon Recognition. Mol.Cell, 63, 2016
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3BX4
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![BU of 3bx4 by Molmil](/molmil-images/mine/3bx4) | Crystal structure of the snake venom toxin aggretin | Descriptor: | Aggretin alpha chain, Aggretin beta chain, GLYCEROL, ... | Authors: | Hooley, E, Papagrigoriou, E, Navdaev, A, Pandey, A, Clemetson, J.M, Clemetson, K.J, Emsley, J. | Deposit date: | 2008-01-11 | Release date: | 2008-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystal structure of the platelet activator aggretin reveals a novel (alphabeta)2 dimeric structure. Biochemistry, 47, 2008
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8OIX
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![BU of 8oix by Molmil](/molmil-images/mine/8oix) | CryoEM structure of 20S Trichomonas vaginalis proteasome in complex with proteasome inhibitor Salinosporamid A | Descriptor: | (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE, Family T1, proteasome alpha subunit, ... | Authors: | Silhan, J, Fajtova, P, Boura, E. | Deposit date: | 2023-03-23 | Release date: | 2024-04-10 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Tv20S proteasome in the complex with marizomib To Be Published
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7LHG
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![BU of 7lhg by Molmil](/molmil-images/mine/7lhg) | Cryo-EM structure of E. coli P pilus tip assembly intermediate PapC-PapD-PapK-PapG in the first conformation | Descriptor: | Chaperone protein PapD, Fimbrial adapter PapK, P fimbria tip G-adhesin PapG-II, ... | Authors: | Du, M, Yuan, Z, Werneburg, G, Henderson, N, Chauhan, H, Kovach, A, Zhao, G, Johl, J, Li, H, Thanassi, D. | Deposit date: | 2021-01-23 | Release date: | 2021-08-11 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Processive dynamics of the usher assembly platform during uropathogenic Escherichia coli P pilus biogenesis. Nat Commun, 12, 2021
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8JRL
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![BU of 8jrl by Molmil](/molmil-images/mine/8jrl) | Crystal structure of P450 TleB with an indole alkaloid | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wang, J, Yan, W.P. | Deposit date: | 2023-06-17 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Regulation of P450 TleB catalytic flow for the synthesis of sulfur-containing indole alkaloids by substrate structure-directed strategy. and protein engineering. Sci China Chem, 66, 2023
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3BQW
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5DF7
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![BU of 5df7 by Molmil](/molmil-images/mine/5df7) | CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH AZLOCILLIN | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, Cell division protein, ... | Authors: | Ren, J, Nettleship, J.E, Males, A, Stuart, D.I, Owens, R.J. | Deposit date: | 2015-08-26 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of penicillin-binding protein 3 in complexes with azlocillin and cefoperazone in both acylated and deacylated forms. Febs Lett., 590, 2016
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