5G1Z
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![BU of 5g1z by Molmil](/molmil-images/mine/5g1z) | Plasmodium vivax N-myristoyltransferase in complex with a quinoline inhibitor (compound 1) | Descriptor: | 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W. | Deposit date: | 2016-04-06 | Release date: | 2017-02-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase. Medchemcomm, 8, 2017
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6VV8
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![BU of 6vv8 by Molmil](/molmil-images/mine/6vv8) | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB285 | Descriptor: | 5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | Deposit date: | 2020-02-17 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.683 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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7NVH
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![BU of 7nvh by Molmil](/molmil-images/mine/7nvh) | Cryo-EM structure of the mycolic acid transporter MmpL3 from M. tuberculosis | Descriptor: | Lauryl Maltose Neopentyl Glycol, Trehalose monomycolate exporter MmpL3 | Authors: | Adams, O, Deme, J.C, Parker, J.L, Lea, S.M, Newstead, S. | Deposit date: | 2021-03-15 | Release date: | 2021-06-16 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structure and resistance landscape of M. tuberculosis MmpL3: An emergent therapeutic target. Structure, 29, 2021
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1IJJ
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![BU of 1ijj by Molmil](/molmil-images/mine/1ijj) | THE X-RAY CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN RABBIT SKELETAL MUSCLE ACTIN AND LATRUNCULIN A AT 2.85 A RESOLUTION | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Vorobiev, S.M, Bubb, M.R, Almo, S.C. | Deposit date: | 2001-04-26 | Release date: | 2002-04-15 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Polylysine induces an antiparallel actin dimer that nucleates filament assembly: crystal structure at 3.5-A resolution J.Biol.Chem., 277, 2002
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1IDV
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![BU of 1idv by Molmil](/molmil-images/mine/1idv) | |
4M81
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![BU of 4m81 by Molmil](/molmil-images/mine/4m81) | The structure of E292S glycosynthase variant of exo-1,3-beta-glucanase from Candida albicans complexed with 1-fluoro-alpha-D-glucopyranoside (donor) and p-nitrophenyl beta-D-glucopyranoside (acceptor) at 1.86A resolution | Descriptor: | 4-nitrophenyl beta-D-glucopyranoside, EXO-1,3-BETA-GLUCANASE, GLYCEROL, ... | Authors: | Nakatani, Y, Cutfield, S.M, Larsen, D.S, Cutfield, J.F. | Deposit date: | 2013-08-12 | Release date: | 2014-06-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Major Change in Regiospecificity for the Exo-1,3-beta-glucanase from Candida albicans following Its Conversion to a Glycosynthase. Biochemistry, 53, 2014
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5H1W
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![BU of 5h1w by Molmil](/molmil-images/mine/5h1w) | Crystal Structure of Hyperthermophilic Thermotoga maritima L-Ketose-3-Epimerase with Mn2+ and L(+)-Erythrulose | Descriptor: | L-Erythrulose, MANGANESE (II) ION, PENTAETHYLENE GLYCOL, ... | Authors: | Cao, T.P, Shin, S.M, Lee, D.W, Lee, S.H. | Deposit date: | 2016-10-12 | Release date: | 2017-03-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.631 Å) | Cite: | TM0416, a Hyperthermophilic Promiscuous Nonphosphorylated Sugar Isomerase, Catalyzes Various C5and C6Epimerization Reactions Appl. Environ. Microbiol., 83, 2017
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4KMP
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![BU of 4kmp by Molmil](/molmil-images/mine/4kmp) | Structure of XIAP-BIR3 and inhibitor | Descriptor: | (2S,2'S)-N,N'-[(6,6'-difluoro-1H,1'H-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2R,4S)-4-hydroxypyrrolidine-2,1-diyl][(2S)-1-oxobutane-1,2-diyl]}]bis[2-(methylamino)propanamide], E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Li, X, Wang, J, Condon, S.M, Shi, Y. | Deposit date: | 2013-05-08 | Release date: | 2014-05-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of XIAP-BIR3 and inhibitor To be Published
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6VV9
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![BU of 6vv9 by Molmil](/molmil-images/mine/6vv9) | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB300 | Descriptor: | 5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | Deposit date: | 2020-02-17 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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2XHH
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![BU of 2xhh by Molmil](/molmil-images/mine/2xhh) | Circular permutation provides an evolutionary link between two families of calcium-dependent carbohydrate binding modules | Descriptor: | (2S)-2-hydroxybutanedioic acid, CALCIUM ION, CARBOHYDRATE BINDING MODULE | Authors: | Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D, Ratnaparkhe, S, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J. | Deposit date: | 2010-06-16 | Release date: | 2010-07-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules J.Biol.Chem., 285, 2010
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2XL3
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![BU of 2xl3 by Molmil](/molmil-images/mine/2xl3) | WDR5 IN COMPLEX WITH AN RBBP5 PEPTIDE AND HISTONE H3 PEPTIDE | Descriptor: | GLYCEROL, HISTONE H3.1, RETINOBLASTOMA-BINDING PROTEIN 5, ... | Authors: | Odho, Z, Southall, S.M, Wilson, J.R. | Deposit date: | 2010-07-19 | Release date: | 2010-08-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Characterisation of a Novel Wdr5 Binding Site that Recruits Rbbp5 Through a Conserved Motif and Enhances Methylation of H3K4 by Mll1. J.Biol.Chem., 285, 2010
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7L1U
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![BU of 7l1u by Molmil](/molmil-images/mine/7l1u) | Orexin Receptor 2 (OX2R) in Complex with G Protein and Natural Peptide-Agonist Orexin B (OxB) | Descriptor: | Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K. | Deposit date: | 2020-12-15 | Release date: | 2021-02-10 | Last modified: | 2021-02-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation. Nat Commun, 12, 2021
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7L1V
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![BU of 7l1v by Molmil](/molmil-images/mine/7l1v) | Orexin Receptor 2 (OX2R) in Complex with G Protein and Small-Molecule Agonist Compound 1 | Descriptor: | 4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide, Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K. | Deposit date: | 2020-12-15 | Release date: | 2021-02-10 | Last modified: | 2021-02-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation. Nat Commun, 12, 2021
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1GB4
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![BU of 1gb4 by Molmil](/molmil-images/mine/1gb4) | |
7L7Q
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![BU of 7l7q by Molmil](/molmil-images/mine/7l7q) | Ctf3c with Ulp2-KIM | Descriptor: | Inner kinetochore subunit CTF3, Inner kinetochore subunit MCM16, Inner kinetochore subunit MCM22 | Authors: | Hinshaw, S.M, Harrison, S.C. | Deposit date: | 2020-12-30 | Release date: | 2021-02-10 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Ctf3/CENP-I provides a docking site for the desumoylase Ulp2 at the kinetochore. J.Cell Biol., 220, 2021
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3USS
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![BU of 3uss by Molmil](/molmil-images/mine/3uss) | |
2XFD
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![BU of 2xfd by Molmil](/molmil-images/mine/2xfd) | vCBM60 in complex with cellobiose | Descriptor: | CALCIUM ION, CARBOHYDRATE BINDING MODULE, GLYCEROL, ... | Authors: | Montanier, C, Flint, J.E, Bolam, D.N, Xie, H, Liu, Z, Rogowski, A, Weiner, D.P, Nurizzo, D, Roberts, S.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J. | Deposit date: | 2010-05-21 | Release date: | 2010-06-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Circular Permutation Provides an Evolutionary Link between Two Families of Calcium-Dependent Carbohydrate Binding Modules. J.Biol.Chem., 285, 2010
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7KJ8
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![BU of 7kj8 by Molmil](/molmil-images/mine/7kj8) | Wild-type epi-isozizaene synthase: complex with 3 Mg2+ and pamidronate | Descriptor: | MAGNESIUM ION, PAMIDRONATE, SULFATE ION, ... | Authors: | Ronnebaum, T.A, Gardner, S.M, Christianson, D.W. | Deposit date: | 2020-10-26 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways. Biochemistry, 59, 2020
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2WHL
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![BU of 2whl by Molmil](/molmil-images/mine/2whl) | Understanding how diverse mannanases recognise heterogeneous substrates | Descriptor: | ACETATE ION, BETA-MANNANASE, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose | Authors: | Tailford, L.E, Ducros, V.M.A, Flint, J.E, Roberts, S.M, Morland, C, Zechel, D.L, Smith, N, Bjornvad, M.E, Borchert, T.V, Wilson, K.S, Davies, G.J, Gilbert, H.J. | Deposit date: | 2009-05-05 | Release date: | 2009-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates. Biochemistry, 48, 2009
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7KHD
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![BU of 7khd by Molmil](/molmil-images/mine/7khd) | Human GITR-GITRL complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18 | Authors: | Wang, F, Chau, B, West, S.M, Strop, P. | Deposit date: | 2020-10-21 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.956102 Å) | Cite: | Structures of mouse and human GITR-GITRL complexes reveal unique TNF superfamily interactions. Nat Commun, 12, 2021
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7KHX
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![BU of 7khx by Molmil](/molmil-images/mine/7khx) | Mouse GITR-GITRL complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, ... | Authors: | Wang, F, Chau, B, West, S.M, Strop, P. | Deposit date: | 2020-10-22 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.20569849 Å) | Cite: | Structures of mouse and human GITR-GITRL complexes reveal unique TNF superfamily interactions. Nat Commun, 12, 2021
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4M82
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![BU of 4m82 by Molmil](/molmil-images/mine/4m82) | The structure of E292S glycosynthase variant of exo-1,3-beta-glucanase from Candida albicans complexed with p-nitrophenyl-gentiobioside (product) at 1.6A resolution | Descriptor: | 1,2-ETHANEDIOL, 4-nitrophenyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside, EXO-1,3-BETA-GLUCANASE, ... | Authors: | Nakatani, Y, Cutfield, S.M, Larsen, D.S, Cutfield, J.F. | Deposit date: | 2013-08-12 | Release date: | 2014-06-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.592 Å) | Cite: | Major Change in Regiospecificity for the Exo-1,3-beta-glucanase from Candida albicans following Its Conversion to a Glycosynthase. Biochemistry, 53, 2014
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4M35
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![BU of 4m35 by Molmil](/molmil-images/mine/4m35) | Crystal structure of gated-pore mutant H126/141D of second DNA-Binding protein under starvation from Mycobacterium smegmatis | Descriptor: | CHLORIDE ION, FE (II) ION, MAGNESIUM ION, ... | Authors: | Williams, S.M, Chandran, A.V, Vijayabaskar, M.S, Roy, S, Balaram, H, Vishveshwara, S, Vijayan, M, Chatterji, D. | Deposit date: | 2013-08-06 | Release date: | 2014-03-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A histidine aspartate ionic lock gates the iron passage in miniferritins from Mycobacterium smegmatis J.Biol.Chem., 289, 2014
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1G3I
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![BU of 1g3i by Molmil](/molmil-images/mine/1g3i) | CRYSTAL STRUCTURE OF THE HSLUV PROTEASE-CHAPERONE COMPLEX | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-DEPENDENT HSLU PROTEASE ATP-BINDING SUBUNIT HSLU, ATP-DEPENDENT PROTEASE HSLV | Authors: | Sousa, M.C, Trame, C.B, Tsuruta, H, Wilbanks, S.M, Reddy, V.S, McKay, D.B. | Deposit date: | 2000-10-24 | Release date: | 2000-11-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.41 Å) | Cite: | Crystal and solution structures of an HslUV protease-chaperone complex. Cell(Cambridge,Mass.), 103, 2000
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7KRR
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![BU of 7krr by Molmil](/molmil-images/mine/7krr) | Structural impact on SARS-CoV-2 spike protein by D614G substitution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Cai, Y.F, Xiao, T.S, Lu, J.M, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Zhu, H.S, Woosley, A.N, Yang, W, Sliz, P, Chen, B. | Deposit date: | 2020-11-20 | Release date: | 2021-03-24 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural impact on SARS-CoV-2 spike protein by D614G substitution. Science, 372, 2021
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