4PU5
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![BU of 4pu5 by Molmil](/molmil-images/mine/4pu5) | Shewanella oneidensis Toxin Antitoxin System Toxin Protein HipA Bound with AMPPNP and Mg | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SODIUM ION, ... | Authors: | Wen, Y, Behiels, E, Felix, J, Elegheert, J, Vergauwen, B, Devreese, B, Savvides, S. | Deposit date: | 2014-03-12 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.834 Å) | Cite: | The bacterial antitoxin HipB establishes a ternary complex with operator DNA and phosphorylated toxin HipA to regulate bacterial persistence. Nucleic Acids Res., 42, 2014
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6EJF
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4PS0
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5ACC
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![BU of 5acc by Molmil](/molmil-images/mine/5acc) | A Novel Oral Selective Estrogen Receptor Down-regulator, AZD9496, drives Tumour Growth Inhibition in Estrogen Receptor positive and ESR1 Mutant Models | Descriptor: | (E)-3-(3,5-DIFLUORO-4-((1R,3R)-2-(2-FLUORO-2- METHYLPROPYL)-3-METHYL-2,3,4,9-TETRAHYDRO-1H-PYRIDO(3,4-B)INDOL-1-YL)PHENYL)ACRYLIC ACID, ESTROGEN RECEPTOR | Authors: | Norman, R.A, Weir, H.M, Bradbury, R.H, Lawson, M, Rabow, A.A, Buttar, D, Callis, R.J, Curwen, J.O, de Almeida, C, Ballard, P, Hulse, M, Donald, C.S, Feron, L.J.L, Gingell, H, Karoutchi, G, MacFaul, P, Moss, T, Pearson, S.E, Tonge, M, Davies, G, Walker, G.E, Wilson, Z, Rowlinson, R, Powell, S, Hemsley, P, Linney, E, Campbell, H, Ghazoui, Z, Sadler, C, Richmond, G, Pazolli, E, Mazzola, A.M, DCruz, C, De Savi, C. | Deposit date: | 2015-08-15 | Release date: | 2015-12-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist. J.Med.Chem., 58, 2015
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5XXX
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![BU of 5xxx by Molmil](/molmil-images/mine/5xxx) | GMPCPP-microtubule complexed with nucleotide-free KIF5C | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | Authors: | Morikawa, M, Shigematsu, H, Nitta, R, Hirokawa, N. | Deposit date: | 2017-07-05 | Release date: | 2018-10-10 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (6.43 Å) | Cite: | Kinesin-binding-triggered conformation switching of microtubules contributes to polarized transport J. Cell Biol., 217, 2018
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5EWZ
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![BU of 5ewz by Molmil](/molmil-images/mine/5ewz) | Small-molecule stabilization of the 14-3-3/Gab2 PPI interface | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, GRB2-associated-binding protein 2 | Authors: | Bier, D, Ottmann, C. | Deposit date: | 2015-11-23 | Release date: | 2016-05-04 | Last modified: | 2018-12-19 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Small-Molecule Stabilization of the 14-3-3/Gab2 Protein-Protein Interaction (PPI) Interface. Chemmedchem, 11, 2016
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8TGM
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![BU of 8tgm by Molmil](/molmil-images/mine/8tgm) | VMAT1 dimer with reserpine | Descriptor: | VMAT1 dimer with reserpine, reserpine | Authors: | Ye, J, Liu, B, Li, W. | Deposit date: | 2023-07-12 | Release date: | 2024-03-20 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural insights into vesicular monoamine storage and drug interactions. Nature, 629, 2024
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4Q94
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![BU of 4q94 by Molmil](/molmil-images/mine/4q94) | human RPRD1B CID in complex with a RPB1-CTD derived Ser2 phosphorylated peptide | Descriptor: | Regulation of nuclear pre-mRNA domain-containing protein 1B, SULFATE ION, UNKNOWN ATOM OR ION, ... | Authors: | Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC) | Deposit date: | 2014-04-29 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation. Nat.Struct.Mol.Biol., 21, 2014
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5F46
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![BU of 5f46 by Molmil](/molmil-images/mine/5f46) | Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample, apoenzyme form | Descriptor: | CHLORIDE ION, aminoglycoside acetyltransferase meta-AAC0020 | Authors: | Xu, Z, Skarina, T, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-12-03 | Release date: | 2015-12-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes. ACS Infect Dis, 3, 2017
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1JFF
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![BU of 1jff by Molmil](/molmil-images/mine/1jff) | Refined structure of alpha-beta tubulin from zinc-induced sheets stabilized with taxol | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Lowe, J, Li, H, Downing, K.H, Nogales, E. | Deposit date: | 2001-06-20 | Release date: | 2001-09-19 | Last modified: | 2023-08-16 | Method: | ELECTRON CRYSTALLOGRAPHY (3.5 Å) | Cite: | Refined structure of alpha beta-tubulin at 3.5 A resolution. J.Mol.Biol., 313, 2001
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5F48
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![BU of 5f48 by Molmil](/molmil-images/mine/5f48) | Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with coenzyme A | Descriptor: | CHLORIDE ION, COENZYME A, MAGNESIUM ION, ... | Authors: | Xu, Z, Skarina, T, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-12-03 | Release date: | 2015-12-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes. ACS Infect Dis, 3, 2017
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1JAV
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1J9M
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![BU of 1j9m by Molmil](/molmil-images/mine/1j9m) | K38H mutant of Streptomyces K15 DD-transpeptidase | Descriptor: | CHLORIDE ION, DD-transpeptidase, SODIUM ION | Authors: | Fonze, E, Rhazi, N, Nguyen-Disteche, M, Charlier, P. | Deposit date: | 2001-05-28 | Release date: | 2001-06-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Catalytic mechanism of the Streptomyces K15 DD-transpeptidase/penicillin-binding protein probed by site-directed mutagenesis and structural analysis. Biochemistry, 42, 2003
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5IDM
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![BU of 5idm by Molmil](/molmil-images/mine/5idm) | Bifunctional histidine kinase CckA (domain, CA) in complex with c-di-GMP and AMPPNP/Mg2+ | 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), Cell cycle histidine kinase CckA, MAGNESIUM ION, ... | Authors: | Dubey, B.N, Schirmer, T. | Deposit date: | 2016-02-24 | Release date: | 2016-10-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cyclic di-GMP mediates a histidine kinase/phosphatase switch by noncovalent domain cross-linking. Sci Adv, 2, 2016
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4Q3K
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![BU of 4q3k by Molmil](/molmil-images/mine/4q3k) | Crystal structure of MGS-M1, an alpha/beta hydrolase enzyme from a Medee basin deep-sea metagenome library | Descriptor: | CHLORIDE ION, FLUORIDE ION, MGS-M1, ... | Authors: | Stogios, P.J, Xu, X, Cui, H, Alcaide, M, Ferrer, M, Savchenko, A. | Deposit date: | 2014-04-11 | Release date: | 2015-02-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Pressure adaptation is linked to thermal adaptation in salt-saturated marine habitats. Environ Microbiol, 17, 2015
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5XXT
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![BU of 5xxt by Molmil](/molmil-images/mine/5xxt) | GDP-microtubule complexed with nucleotide-free KIF5C | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Morikawa, M, Shigematsu, H, Nitta, R, Hirokawa, N. | Deposit date: | 2017-07-05 | Release date: | 2018-10-10 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (5.35 Å) | Cite: | Kinesin-binding-triggered conformation switching of microtubules contributes to polarized transport J. Cell Biol., 217, 2018
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3VES
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![BU of 3ves by Molmil](/molmil-images/mine/3ves) | Crystal structure of the O-carbamoyltransferase TobZ in complex with AMPCPP and carbamoyl phosphate | Descriptor: | 1,2-ETHANEDIOL, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, FE (II) ION, ... | Authors: | Parthier, C, Stubbs, M.T, Goerlich, S, Jaenecke, F. | Deposit date: | 2012-01-09 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction. Angew.Chem.Int.Ed.Engl., 51, 2012
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1JE3
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![BU of 1je3 by Molmil](/molmil-images/mine/1je3) | Solution Structure of EC005 from Escherichia coli | Descriptor: | HYPOTHETICAL 8.6 KDA PROTEIN IN AMYA-FLIE INTERGENIC REGION | Authors: | Yee, A, Gutierrez, P, Kozlov, G, Denisov, A, Gehring, K, Arrowsmith, C. | Deposit date: | 2001-06-15 | Release date: | 2002-03-06 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | An NMR approach to structural proteomics. Proc.Natl.Acad.Sci.USA, 99, 2002
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7OH7
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![BU of 7oh7 by Molmil](/molmil-images/mine/7oh7) | Cryo-EM structure of Drs2p-Cdc50p in the E1-AMPPCP state with PI4P bound | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ... | Authors: | Timcenko, M, Dieudonne, T, Montigny, C, Boesen, T, Lyons, J.A, Lenoir, G, Nissen, P. | Deposit date: | 2021-05-09 | Release date: | 2021-06-09 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis of substrate-independent phosphorylation in a P4-ATPase lipid flippase J.Mol.Biol., 2021
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2ZVK
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![BU of 2zvk by Molmil](/molmil-images/mine/2zvk) | Crystal structure of PCNA in complex with DNA polymerase eta fragment | Descriptor: | DNA polymerase eta, Proliferating cell nuclear antigen | Authors: | Hishiki, A, Hashimoto, H, Hanafusa, T, Kamei, K, Ohashi, E, Shimizu, T, Ohmori, H, Sato, M. | Deposit date: | 2008-11-11 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis for Novel Interactions between Human Translesion Synthesis Polymerases and Proliferating Cell Nuclear Antigen J.Biol.Chem., 284, 2009
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5AUO
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![BU of 5auo by Molmil](/molmil-images/mine/5auo) | Crystal structure of the HypAB-Ni complex (AMPPCP) | Descriptor: | ATPase involved in chromosome partitioning, ParA/MinD family, Mrp homolog, ... | Authors: | Watanabe, S, Kawashima, T, Nishitani, Y, Miki, K. | Deposit date: | 2015-05-27 | Release date: | 2015-06-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of a Ni acquisition cycle for [NiFe] hydrogenase by Ni-metallochaperone HypA and its enhancer Proc.Natl.Acad.Sci.USA, 112, 2015
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2ZVL
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![BU of 2zvl by Molmil](/molmil-images/mine/2zvl) | Crystal structure of PCNA in complex with DNA polymerase kappa fragment | Descriptor: | DNA polymerase kappa, Proliferating cell nuclear antigen, SULFATE ION, ... | Authors: | Hishiki, A, Hashimoto, H, Hanafusa, T, Kamei, K, Ohashi, E, Shimizu, T, Ohmori, H, Sato, M. | Deposit date: | 2008-11-11 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for Novel Interactions between Human Translesion Synthesis Polymerases and Proliferating Cell Nuclear Antigen J.Biol.Chem., 284, 2009
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5F2Q
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![BU of 5f2q by Molmil](/molmil-images/mine/5f2q) | C-type lectin from Bothrops jararacussu | Descriptor: | C-type lectin BJcuL, CALCIUM ION, SODIUM ION | Authors: | de Padua, R.A.P, Pinheiro, M.P, Sartim, M.A, Sampaio, S.V, Nonato, M.C. | Deposit date: | 2015-12-02 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | C-type lectin from Bothrops jararacussu To Be Published
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1WC3
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![BU of 1wc3 by Molmil](/molmil-images/mine/1wc3) | Soluble adenylyl cyclase CyaC from S. platensis in complex with alpha, beta-methylene-ATP and Strontium | Descriptor: | ADENYLATE CYCLASE, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, STRONTIUM ION | Authors: | Steegborn, C, Litvin, T.N, Levin, L.R, Buck, J, Wu, H. | Deposit date: | 2004-11-08 | Release date: | 2004-12-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bicarbonate Activation of Adenylyl Cyclase Via Promotion of Catalytic Active Site Closure and Metal Recruitment Nat.Struct.Mol.Biol., 12, 2005
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5F47
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![BU of 5f47 by Molmil](/molmil-images/mine/5f47) | Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with trehalose | Descriptor: | CALCIUM ION, CHLORIDE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, ... | Authors: | Xu, Z, Skarina, T, Wawrzak, Z, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-12-03 | Release date: | 2015-12-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes. ACS Infect Dis, 3, 2017
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