2J6Y
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![BU of 2j6y by Molmil](/molmil-images/mine/2j6y) | Structural and Functional Characterisation of partner switching regulating the environmental stress response in Bacillus subtilis | Descriptor: | PHOSPHOSERINE PHOSPHATASE RSBU | Authors: | Hardwick, S.W, Pane-Farre, J, Delumeau, O, Marles-Wright, J, Murray, J.W, Hecker, M, Lewis, R.J. | Deposit date: | 2006-10-05 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and functional characterization of partner switching regulating the environmental stress response in Bacillus subtilis. J. Biol. Chem., 282, 2007
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1BMG
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5Y6R
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![BU of 5y6r by Molmil](/molmil-images/mine/5y6r) | Crystal structure of CSFV NS5B | Descriptor: | GLYCEROL, Genome polyprotein, SULFATE ION | Authors: | Li, W, Wu, B. | Deposit date: | 2017-08-13 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Crystal Structure of Classical Swine Fever Virus NS5B Reveals a Novel N-Terminal Domain J. Virol., 92, 2018
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3MQC
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6PFE
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![BU of 6pfe by Molmil](/molmil-images/mine/6pfe) | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-methoxybenzoic acid. | Descriptor: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2019-06-21 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.812 Å) | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
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2XLU
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![BU of 2xlu by Molmil](/molmil-images/mine/2xlu) | Joint-functions of protein residues and NADP(H) in oxygen-activation by flavin-containing monooxygenase: complex with thioNADP | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Orru, R, Fraaije, M.W, Mattevi, A. | Deposit date: | 2010-07-21 | Release date: | 2010-09-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Joint-Functions of Protein Residues and Nadp(H) in Oxygen-Activation by Flavin-Containing Monooxygenase J.Biol.Chem., 285, 2010
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4X9T
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![BU of 4x9t by Molmil](/molmil-images/mine/4x9t) | Crystal structure of a TctC solute binding protein from Polaromonas (Bpro_3516, Target EFI-510338), no ligand | Descriptor: | CHLORIDE ION, Uncharacterized protein UPF0065 | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-11 | Release date: | 2014-12-24 | Last modified: | 2015-02-11 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystal structure of a TctC solute binding protein from Polaromonas (Bpro_3516, Target EFI-510338), no ligand To be published
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6P24
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![BU of 6p24 by Molmil](/molmil-images/mine/6p24) | Escherichia coli tRNA synthetase | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Kahne, D, Baidin, V, Owens, T.W. | Deposit date: | 2019-05-20 | Release date: | 2020-11-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase. J.Am.Chem.Soc., 143, 2021
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2MYY
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6M2D
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![BU of 6m2d by Molmil](/molmil-images/mine/6m2d) | MUL1-RING domain | Descriptor: | Mitochondrial ubiquitin ligase activator of NFKB 1, SULFATE ION, ZINC ION | Authors: | Lee, S.O, Ryu, K.S, Chi, S.-W. | Deposit date: | 2020-02-27 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.795 Å) | Cite: | MUL1-RING recruits the substrate, p53-TAD as a complex with UBE2D2-UB conjugate. Febs J., 2022
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4XBD
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![BU of 4xbd by Molmil](/molmil-images/mine/4xbd) | 1.45A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (Orthorhombic P Form) | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-LIKE PROTEASE | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. | Deposit date: | 2014-12-16 | Release date: | 2015-03-25 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies. J.Med.Chem., 58, 2015
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6EXN
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![BU of 6exn by Molmil](/molmil-images/mine/6exn) | Post-catalytic P complex spliceosome with 3' splice site docked | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Intron lariat: UBC4 RNA, ... | Authors: | Wilkinson, M.E, Fica, S.M, Galej, W.P, Norman, C.M, Newman, A.J, Nagai, K. | Deposit date: | 2017-11-08 | Release date: | 2018-01-17 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Postcatalytic spliceosome structure reveals mechanism of 3'-splice site selection. Science, 358, 2017
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6M2C
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2V3A
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![BU of 2v3a by Molmil](/molmil-images/mine/2v3a) | Crystal structure of rubredoxin reductase from Pseudomonas aeruginosa. | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Hagelueken, G, Wiehlmann, L, Adams, T.M, Kolmar, H, Heinz, D.W, Tuemmler, B, Schubert, W.-D. | Deposit date: | 2007-06-14 | Release date: | 2007-08-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the Electron Transfer Complex Rubredoxin - Rubredoxin Reductase from Pseudomonas Aeruginosa. Proc.Natl.Acad.Sci.USA, 104, 2007
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1GUG
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![BU of 1gug by Molmil](/molmil-images/mine/1gug) | MopII from Clostridium pasteurianum complexed with tungstate | Descriptor: | CHLORIDE ION, MOLYBDATE BINDING PROTEIN II, SODIUM ION, ... | Authors: | Schuettelkopf, A.W, Harrison, J.A, Hunter, W.N. | Deposit date: | 2002-01-25 | Release date: | 2002-02-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Passive Acquisition of Ligand by the Mopii Molbindin from Clostridium Pasteurianum: Structures of Apo and Oxyanion-Bound Forms J.Biol.Chem., 277, 2002
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5IMS
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4IFS
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![BU of 4ifs by Molmil](/molmil-images/mine/4ifs) | Crystal structure of the hSSRP1 Middle domain | Descriptor: | CHLORIDE ION, FACT complex subunit SSRP1 | Authors: | Zhang, W.J, Zeng, F.X, Shao, C, Liu, Y.W, Niu, L.W, Li, X, Teng, M.K. | Deposit date: | 2012-12-15 | Release date: | 2014-01-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of the hSSRP1 Middle domain To be Published
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2V3B
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![BU of 2v3b by Molmil](/molmil-images/mine/2v3b) | Crystal structure of the electron transfer complex rubredoxin - rubredoxin reductase from Pseudomonas aeruginosa. | Descriptor: | FE (III) ION, FLAVIN-ADENINE DINUCLEOTIDE, RUBREDOXIN 2, ... | Authors: | Hagelueken, G, Wiehlmann, L, Adams, T.M, Kolmar, H, Heinz, D.W, Tuemmler, B, Schubert, W.-D. | Deposit date: | 2007-06-14 | Release date: | 2007-08-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure of the Electron Transfer Complex Rubredoxin - Rubredoxin Reductase from Pseudomonas Aeruginosa. Proc.Natl.Acad.Sci.USA, 104, 2007
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4XEQ
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![BU of 4xeq by Molmil](/molmil-images/mine/4xeq) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (Deval_0042, TARGET EFI-510114) BOUND TO COPURIFIED (R)-PANTOIC ACID | Descriptor: | PANTOATE, TRAP dicarboxylate transporter, DctP subunit | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-12-24 | Release date: | 2015-01-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (Deval_0042, TARGET EFI-510114) BOUND TO COPURIFIED (R)-PANTOIC ACID To be published
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4IJH
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![BU of 4ijh by Molmil](/molmil-images/mine/4ijh) | Fragment-based Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A | Descriptor: | 3-chloro-6-[3-(4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Patrone, J.D, Kennedy, J.P, Frank, A.O, Vangamudi, B, Pelz, N.F, Rossanese, O.W, Waterson, A.G, Fesik, S.W, Chazin, W.J. | Deposit date: | 2012-12-21 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A. ACS MED.CHEM.LETT., 4, 2013
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6J06
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![BU of 6j06 by Molmil](/molmil-images/mine/6j06) | Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP-08 | Descriptor: | (2E)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1, CALCIUM ION, ... | Authors: | Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2018-12-21 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation. Immunity, 50, 2019
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8B0I
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![BU of 8b0i by Molmil](/molmil-images/mine/8b0i) | CryoEM structure of bacterial RapZ.GlmZ complex central to the control of cell envelope biogenesis | Descriptor: | GlmZ small regulatory RNA, RNase adapter protein RapZ | Authors: | Islam, M.S, Hardwick, H.W, Chirgadze, D.Y, Luisi, B.F. | Deposit date: | 2022-09-07 | Release date: | 2022-10-05 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (4.28 Å) | Cite: | Structure of a bacterial ribonucleoprotein complex central to the control of cell envelope biogenesis. Embo J., 42, 2023
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2MU4
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![BU of 2mu4 by Molmil](/molmil-images/mine/2mu4) | Structure of F. tularensis Virulence Determinant | Descriptor: | flpp3Sol_2 | Authors: | Zook, J.J.D.Z, Mo, G.G.M, Craciunescu, F.F.C, Sisco, N.N.S, Hansen, D.D.H, Baravati, B.B.B, Van Horn, W.W.V.H, Cherry, B.B.C, Fromme, P.P.F. | Deposit date: | 2014-09-03 | Release date: | 2015-06-10 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR Structure of Francisella tularensis Virulence Determinant Reveals Structural Homology to Bet v1 Allergen Proteins. Structure, 23, 2015
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6F6Z
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![BU of 6f6z by Molmil](/molmil-images/mine/6f6z) | Mouse Thymidylate Synthase Cocrystallized with N(4)OHdCMP and Soaked in Methylenetetrahydrofolate | Descriptor: | (2~{S})-2-[[4-[[(6~{R})-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid, 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), Thymidylate synthase | Authors: | Wilk, P, Jarmula, A, Maj, P, Rode, W. | Deposit date: | 2017-12-06 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.127 Å) | Cite: | Molecular Mechanism of Thymidylate Synthase Inhibition by N4-Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies Int J Mol Sci, 22, 2021
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3LOE
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![BU of 3loe by Molmil](/molmil-images/mine/3loe) | |