4IBC
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![BU of 4ibc by Molmil](/molmil-images/mine/4ibc) | Ebola virus VP35 bound to small molecule | Descriptor: | DIMETHYL SULFOXIDE, Polymerase cofactor VP35, {4-[(2R)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.745 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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5LUS
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![BU of 5lus by Molmil](/molmil-images/mine/5lus) | Structures of DHBN domain of Pelecanus crispus BLM helicase | Descriptor: | BLM helicase | Authors: | Shi, J, Chen, W.-F, Zhang, B, Fan, S.-H, Ai, X, Liu, N.-N, Rety, S, Xi, X.-G. | Deposit date: | 2016-09-09 | Release date: | 2017-03-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.433 Å) | Cite: | A helical bundle in the N-terminal domain of the BLM helicase mediates dimer and potentially hexamer formation. J. Biol. Chem., 292, 2017
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1VZQ
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![BU of 1vzq by Molmil](/molmil-images/mine/1vzq) | Complex of thrombin with designed inhibitor 7165 | Descriptor: | 4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE, CALCIUM ION, HIRUDIN VARIANT-2, ... | Authors: | Shaerer, K, Morgenthaler, M, Seiler, P, Diederich, F, Banner, D.W, Tschopp, T, Obst-Sander, U. | Deposit date: | 2004-05-24 | Release date: | 2005-06-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Enantiomerically Pure Thrombin Inhibitors for Exploring the Molecular-Recognition Features of the Oxyanion Hole Helv.Chim.Acta, 87, 2004
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5LY0
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![BU of 5ly0 by Molmil](/molmil-images/mine/5ly0) | Crystal structure of LOB domain of Ramosa2 from Wheat | Descriptor: | LOB family transfactor Ramosa2.1, ZINC ION | Authors: | Wei, X.-B, Zhang, B, Chen, W.-F, Fan, S.-H, Rety, S, Xi, X.-G. | Deposit date: | 2016-09-23 | Release date: | 2017-10-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.877 Å) | Cite: | Structural analysis reveals a "molecular calipers" mechanism for a LATERAL ORGAN BOUNDARIES DOMAIN transcription factor protein from wheat. J. Biol. Chem., 294, 2019
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1HL5
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![BU of 1hl5 by Molmil](/molmil-images/mine/1hl5) | The Structure of Holo Type Human Cu, Zn Superoxide Dismutase | Descriptor: | CALCIUM ION, COPPER (II) ION, SUPEROXIDE DISMUTASE, ... | Authors: | Strange, R.W, Antonyuk, S, Hough, M.A, Doucette, P, Rodriguez, J, Hart, P.J, Hayward, L.J, Valentine, J.S, Hasnain, S.S. | Deposit date: | 2003-03-13 | Release date: | 2003-05-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Structure of Holo and Metal-Deficient Wild-Type Human Cu, Zn Superoxide Dismutase and its Relevance to Familial Amyotrophic Lateral Sclerosis J.Mol.Biol., 328, 2003
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4IJE
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![BU of 4ije by Molmil](/molmil-images/mine/4ije) | Crystal structure of the Zaire ebolavirus VP35 interferon inhibitory domain R312A/K319A/R322A mutant | Descriptor: | PHOSPHATE ION, POTASSIUM ION, Polymerase cofactor VP35, ... | Authors: | Binning, J.B, Wang, T, Leung, D.W, Xu, W, Borek, D, Amarasinghe, G.K. | Deposit date: | 2012-12-21 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Development of RNA Aptamers Targeting Ebola Virus VP35. Biochemistry, 52, 2013
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5UHA
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![BU of 5uha by Molmil](/molmil-images/mine/5uha) | Crystal structure of Mycobacterium tuberculosis transcription initiation complex | Descriptor: | DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lin, W, Das, K, Feng, Y, Ebright, R.H. | Deposit date: | 2017-01-11 | Release date: | 2017-04-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.906 Å) | Cite: | Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition. Mol. Cell, 66, 2017
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1EGJ
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![BU of 1egj by Molmil](/molmil-images/mine/1egj) | DOMAIN 4 OF THE BETA COMMON CHAIN IN COMPLEX WITH AN ANTIBODY | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY (HEAVY CHAIN), ANTIBODY (LIGHT CHAIN), ... | Authors: | Rossjohn, J, McKinstry, W.J, Woodcock, J.M, McClure, B.J, Hercus, T.R, Parker, M.W, Lopez, A.F, Bagley, C.J. | Deposit date: | 2000-02-15 | Release date: | 2001-02-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the activation domain of the GM-CSF/IL-3/IL-5 receptor common beta-chain bound to an antagonist. Blood, 95, 2000
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4XBR
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![BU of 4xbr by Molmil](/molmil-images/mine/4xbr) | In cellulo Crystal Structure of PAK4 in complex with Inka | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein FAM212A,Serine/threonine-protein kinase PAK 4 | Authors: | Baskaran, Y, Ang, K.C, Anekal, P.V, Chan, W.L, Grimes, J.M, Manser, E, Robinson, R.C. | Deposit date: | 2014-12-17 | Release date: | 2015-12-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | An in cellulo-derived structure of PAK4 in complex with its inhibitor Inka1 Nat Commun, 6, 2015
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4BI3
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![BU of 4bi3 by Molmil](/molmil-images/mine/4bi3) | Structure and function of amidase toxin - antitoxin combinations associated with the type VI secretion system of Serratia marcescens. | Descriptor: | POTASSIUM ION, SSP1, SULFATE ION | Authors: | Srikannathasan, V, English, G, Bui, N.K, Trunk, K, Rourke, P.E.F.O, Rao, V.A, Vollmer, W, Coulthurst, S.J, Hunter, W.N. | Deposit date: | 2013-04-09 | Release date: | 2013-06-19 | Last modified: | 2013-12-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Basis for Type Vi Secreted Peptidoglycan Dl-Endopeptidase Function, Specificity and Neutralization in Serratia Marcescens Acta Crystallogr.,Sect.D, 69, 2013
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4IOF
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![BU of 4iof by Molmil](/molmil-images/mine/4iof) | Crystal structure analysis of Fab-bound human Insulin Degrading Enzyme (IDE) | Descriptor: | Fab-bound IDE, heavy chain, light chain, ... | Authors: | McCord, L.A, Liang, W.G, Hoey, R, Dowdell, E, Koide, A, Koide, S, Tang, W.J. | Deposit date: | 2013-01-07 | Release date: | 2013-07-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.353 Å) | Cite: | Conformational states and recognition of amyloidogenic peptides of human insulin-degrading enzyme. Proc.Natl.Acad.Sci.USA, 110, 2013
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1IBK
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![BU of 1ibk by Molmil](/molmil-images/mine/1ibk) | STRUCTURE OF THE THERMUS THERMOPHILUS 30S RIBOSOMAL SUBUNIT IN COMPLEX WITH THE ANTIBIOTIC PAROMOMYCIN | Descriptor: | 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Ogle, J.M, Brodersen, D.E, Clemons Jr, W.M, Tarry, M.J, Carter, A.P, Ramakrishnan, V. | Deposit date: | 2001-03-28 | Release date: | 2001-05-04 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Recognition of cognate transfer RNA by the 30S ribosomal subunit. Science, 292, 2001
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3MK6
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![BU of 3mk6 by Molmil](/molmil-images/mine/3mk6) | Substrate and Inhibitor Binding to Pank | Descriptor: | ACETYL COENZYME *A, GLYCEROL, Pantothenate kinase 3 | Authors: | Yun, M.-K, White, S.W. | Deposit date: | 2010-04-14 | Release date: | 2010-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Modulation of Pantothenate Kinase 3 Activity by Small Molecules that Interact with the Substrate/Allosteric Regulatory Domain. Chem.Biol., 17, 2010
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7WTI
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![BU of 7wti by Molmil](/molmil-images/mine/7wti) | SARS-CoV-2 Omicron variant spike in complex with Fab XGv264 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of XGv264, Light chain of XGv264, ... | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-02-04 | Release date: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Selection and structural bases of potent broadly neutralizing antibodies from 3-dose vaccinees that are highly effective against diverse SARS-CoV-2 variants, including Omicron sublineages. Cell Res., 32, 2022
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4XIY
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![BU of 4xiy by Molmil](/molmil-images/mine/4xiy) | Crystal structure of ketol-acid reductoisomerase from Azotobacter | Descriptor: | DI(HYDROXYETHYL)ETHER, FE (III) ION, Ketol-acid reductoisomerase, ... | Authors: | Spatzal, T, Cahn, J.K.B, Wiig, J.A, Einsle, O, Hu, Y, Ribbe, M.W, Arnold, F.H. | Deposit date: | 2015-01-07 | Release date: | 2015-04-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases. Biochem.J., 468, 2015
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4IPC
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![BU of 4ipc by Molmil](/molmil-images/mine/4ipc) | Structure of the N-terminal domain of RPA70, E7R mutant | Descriptor: | Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Frank, A.O, Vangamudi, B, Fesik, S.W, Chazin, W.J. | Deposit date: | 2013-01-09 | Release date: | 2013-09-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Surface Reengineering of RPA70N Enables Cocrystallization with an Inhibitor of the Replication Protein A Interaction Motif of ATR Interacting Protein. Biochemistry, 52, 2013
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4IPD
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![BU of 4ipd by Molmil](/molmil-images/mine/4ipd) | Structure of the N-terminal domain of RPA70, E100R mutant | Descriptor: | Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Frank, A.O, Vangamudi, B, Fesik, S.W, Chazin, W.J. | Deposit date: | 2013-01-09 | Release date: | 2013-09-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Surface Reengineering of RPA70N Enables Cocrystallization with an Inhibitor of the Replication Protein A Interaction Motif of ATR Interacting Protein. Biochemistry, 52, 2013
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4XNQ
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![BU of 4xnq by Molmil](/molmil-images/mine/4xnq) | Antibody hemagglutinin Complexes | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, H5.3 Light chain, H5.3 heavy chain, ... | Authors: | Spiller, B.W, Winarski, K.L. | Deposit date: | 2015-01-15 | Release date: | 2015-07-15 | Last modified: | 2022-03-30 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Vaccine-elicited antibody that neutralizes H5N1 influenza and variants binds the receptor site and polymorphic sites. Proc.Natl.Acad.Sci.USA, 112, 2015
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4IJI
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![BU of 4iji by Molmil](/molmil-images/mine/4iji) | Crystal structure of a glutathione transferase family member from Psuedomonas fluorescens Pf-5, target EFI-900011, with bound S-(propanoic acid)-glutathione | Descriptor: | ACRYLIC ACID, BENZOIC ACID, Glutathione S-transferase-like protein YibF, ... | Authors: | Vetting, M.W, Sauder, J.M, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Burley, S.K, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-12-21 | Release date: | 2013-02-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of a glutathione transferase family member from Psuedomonas fluorescens Pf-5, target EFI-900011, with bound S-(propanoic acid)-glutathione To be Published
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4XLY
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![BU of 4xly by Molmil](/molmil-images/mine/4xly) | The complex structure of KS-D75C with substrate CPP | Descriptor: | (2E)-3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Uncharacterized protein blr2150 | Authors: | Hu, Y, Zheng, Y, Ko, T.P, Liu, W, Guo, R.T. | Deposit date: | 2015-01-14 | Release date: | 2015-02-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum. Sci Rep, 4, 2014
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4IPG
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![BU of 4ipg by Molmil](/molmil-images/mine/4ipg) | Structure of the N-terminal domain of RPA70, E7R, E100R mutant | Descriptor: | Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Frank, A.O, Vangamudi, B, Fesik, S.W, Chazin, W.J. | Deposit date: | 2013-01-09 | Release date: | 2013-09-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Surface Reengineering of RPA70N Enables Cocrystallization with an Inhibitor of the Replication Protein A Interaction Motif of ATR Interacting Protein. Biochemistry, 52, 2013
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4IPH
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![BU of 4iph by Molmil](/molmil-images/mine/4iph) | Structure of N-terminal domain of RPA70 in complex with VU079104 inhibitor | Descriptor: | Replication protein A 70 kDa DNA-binding subunit, ~{N}-(2,3-dimethylphenyl)-7-oxidanylidene-12-sulfanylidene-5,11-dithia-1,8-diazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9-triene-10-carboxamide | Authors: | Feldkamp, M.D, Frank, A.O, Vangamudi, B, Fesik, S.W, Chazin, W.J. | Deposit date: | 2013-01-09 | Release date: | 2013-09-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Surface Reengineering of RPA70N Enables Cocrystallization with an Inhibitor of the Replication Protein A Interaction Motif of ATR Interacting Protein. Biochemistry, 52, 2013
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4EA8
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![BU of 4ea8 by Molmil](/molmil-images/mine/4ea8) | X-ray crystal structure of PerB from Caulobacter crescentus in complex with coenzyme A and GDP-N-acetylperosamine at 1 Angstrom resolution | Descriptor: | CHLORIDE ION, COENZYME A, GDP-N-acetylperosamine, ... | Authors: | Thoden, J.B, Reinhardt, L.A, Cook, P.D, Menden, P, Cleland, W.W, Holden, H.M. | Deposit date: | 2012-03-22 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Catalytic Mechanism of Perosamine N-Acetyltransferase Revealed by High-Resolution X-ray Crystallographic Studies and Kinetic Analyses. Biochemistry, 51, 2012
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4IPN
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![BU of 4ipn by Molmil](/molmil-images/mine/4ipn) | The complex structure of 6-phospho-beta-glucosidase BglA-2 with thiocellobiose-6P from Streptococcus pneumoniae | Descriptor: | 6-O-phosphono-alpha-L-idopyranose-(1-4)-4-thio-beta-D-glucopyranose, 6-phospho-beta-glucosidase | Authors: | Yu, W.L, Jiang, Y.L, Andreas, P, Cheng, W, Bai, X.H, Ren, Y.M, Thompsonn, J, Zhou, C.Z, Chen, Y.X. | Deposit date: | 2013-01-10 | Release date: | 2013-04-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.411 Å) | Cite: | Structural insights into the substrate specificity of a 6-phospho-&[beta]-glucosidase BglA-2 from Streptococcus pneumoniae TIGR4 J.Biol.Chem., 288, 2013
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4XVM
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![BU of 4xvm by Molmil](/molmil-images/mine/4xvm) | |