4U0F
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![BU of 4u0f by Molmil](/molmil-images/mine/4u0f) | Hexameric HIV-1 CA in Complex with BI-2 | Descriptor: | (4S)-4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one, 1,2-ETHANEDIOL, Capsid protein p24 | Authors: | Price, A.J, Jacques, D.A, James, L.C. | Deposit date: | 2014-07-11 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly. Plos Pathog., 10, 2014
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4U0B
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4U0D
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![BU of 4u0d by Molmil](/molmil-images/mine/4u0d) | Hexameric HIV-1 CA in complex with Nup153 peptide, P212121 crystal form | Descriptor: | CHLORIDE ION, Gag polyprotein, Nuclear pore complex protein Nup153 | Authors: | Price, A.J, Jacques, D.A, James, L.C. | Deposit date: | 2014-07-11 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly. Plos Pathog., 10, 2014
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4UMC
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![BU of 4umc by Molmil](/molmil-images/mine/4umc) | Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water | Descriptor: | L-PHOSPHOLACTATE, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Heyes, L.C, Reichau, S, Cross, P.J, Parker, E.J. | Deposit date: | 2014-05-16 | Release date: | 2014-10-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water. Bioorg.Chem., 57, 2014
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4UCG
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![BU of 4ucg by Molmil](/molmil-images/mine/4ucg) | NmeDAH7PS R126S variant | Descriptor: | DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE, ... | Authors: | Cross, P.J, Heyes, L.C, Zhang, S, Nazmi, A.R, Parker, E.J. | Deposit date: | 2014-12-03 | Release date: | 2016-01-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Functional Unit of Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase is Dimeric. Plos One, 11, 2016
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4UC5
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![BU of 4uc5 by Molmil](/molmil-images/mine/4uc5) | Neisseria Meningitidis DAH7PS-Phenylalanine regulated | Descriptor: | DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, PHENYLALANINE, ... | Authors: | Heyes, L.C, Lang, E.J.M, Parker, E.J. | Deposit date: | 2014-12-03 | Release date: | 2015-11-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Calculated Pka Variations Expose Dynamic Allosteric Communication Networks. J.Am.Chem.Soc., 138, 2016
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4UMB
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![BU of 4umb by Molmil](/molmil-images/mine/4umb) | Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water | Descriptor: | (2R)-2-(phosphonooxy)propanoic acid, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Heyes, L.C, Reichau, S, Cross, P.J, Parker, E.J. | Deposit date: | 2014-05-16 | Release date: | 2014-10-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water. Bioorg.Chem., 57, 2014
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4UMA
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![BU of 4uma by Molmil](/molmil-images/mine/4uma) | Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3 deoxy D arabino heptulosonate 7 phosphate synthase the importance of accommodating the active site water | Descriptor: | (E)-2-METHYL-3-PHOSPHONOACRYLATE, MANGANESE (II) ION, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE | Authors: | Heyes, L.C, Reichau, S, Cross, P.J, Parker, E.J. | Deposit date: | 2014-05-16 | Release date: | 2014-10-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water. Bioorg.Chem., 57, 2014
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4USC
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![BU of 4usc by Molmil](/molmil-images/mine/4usc) | Crystal structure of peroxidase from palm tree Chamaerops excelsa | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Bernardes, A, Santos, J.C, Textor, L.C, Cuadrado, N.H, Kostetsky, E.Y, Roig, M.G, Muniz, J.R.C, Shnyrov, V.L, Polikarpov, I. | Deposit date: | 2014-07-07 | Release date: | 2015-05-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure Analysis of Peroxidase from the Palm Tree Chamaerops Excelsa. Biochimie, 111, 2015
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1TW7
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![BU of 1tw7 by Molmil](/molmil-images/mine/1tw7) | Wide Open 1.3A Structure of a Multi-drug Resistant HIV-1 Protease Represents a Novel Drug Target | Descriptor: | SODIUM ION, protease | Authors: | Martin, P, Vickrey, J.F, Proteasa, G, Jimenez, Y.L, Wawrzak, Z, Winters, M.A, Merigan, T.C, Kovari, L.C. | Deposit date: | 2004-06-30 | Release date: | 2005-07-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Wide Open 1.3A Structure of a Multi-drug Resistant HIV-1 Protease Represents a Novel Drug Target Structure, 13, 2005
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8G4P
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![BU of 8g4p by Molmil](/molmil-images/mine/8g4p) | Crystal structure of the peanut allergen Ara h 2 bound by two neutralizing antibodies 13T1 and 13T5 | Descriptor: | 1,2-ETHANEDIOL, 13T1 Fab light chain, 13T5 Fab heavy chain, ... | Authors: | Pedersen, L.C, Mueller, G.A, Min, J. | Deposit date: | 2023-02-10 | Release date: | 2023-12-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Design of an Ara h 2 hypoallergen from conformational epitopes. Clin Exp Allergy, 54, 2024
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8HE6
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![BU of 8he6 by Molmil](/molmil-images/mine/8he6) | Crystal structure of a fosfomycin and bleomycin resistant protein (ALL3014) from Anabaena/Nostoc cyanobacterium at 1.70 A resolution | Descriptor: | All3014 protein, CALCIUM ION, MAGNESIUM ION | Authors: | Chatterjee, A, Singh, P.K, Singh, T.P, Marina, A, Sharma, S, Rai, L.C. | Deposit date: | 2022-11-07 | Release date: | 2022-11-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of a fosfomycin and bleomycin resistant protein (ALL3014) from Anabaena/Nostoc cyanobacterium at 1.70 A resolution To Be Published
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7BH8
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![BU of 7bh8 by Molmil](/molmil-images/mine/7bh8) | 3H4-Fab HLA-E-VL9 co-complex | Descriptor: | 3H4 Fab heavy chain, 3H4 Fab light chain, Beta-2-microglobulin, ... | Authors: | Walters, L.C, Rozbesky, D. | Deposit date: | 2021-01-10 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mouse and human antibodies bind HLA-E-leader peptide complexes and enhance NK cell cytotoxicity. Commun Biol, 5, 2022
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6R8C
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![BU of 6r8c by Molmil](/molmil-images/mine/6r8c) | HIV capsid hexamer with IP5 ligand | Descriptor: | Gag polyprotein, MYO-INOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATE | Authors: | James, L.C. | Deposit date: | 2019-04-01 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | HIV hexamer to be published
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6S53
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![BU of 6s53 by Molmil](/molmil-images/mine/6s53) | Crystal structure of TRIM21 RING domain in complex with an isopeptide-linked Ube2N~ubiquitin conjugate | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, E3 ubiquitin-protein ligase TRIM21, Polyubiquitin-C, ... | Authors: | Kiss, L, Boland, A, Neuhaus, D, James, L.C. | Deposit date: | 2019-06-30 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A tri-ionic anchor mechanism drives Ube2N-specific recruitment and K63-chain ubiquitination in TRIM ligases. Nat Commun, 10, 2019
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6RSS
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![BU of 6rss by Molmil](/molmil-images/mine/6rss) | Solution structure of the fourth WW domain of WWP2 with GB1-tag | Descriptor: | NEDD4-like E3 ubiquitin-protein ligase WWP2 | Authors: | Wahl, L.C, Watt, J.E, Tolchard, J, Blumenschein, T.M.A, Chantry, A. | Deposit date: | 2019-05-22 | Release date: | 2019-10-09 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Smad7 Binds Differently to Individual and Tandem WW3 and WW4 Domains of WWP2 Ubiquitin Ligase Isoforms. Int J Mol Sci, 20, 2019
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4XE3
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![BU of 4xe3 by Molmil](/molmil-images/mine/4xe3) | OleP, the cytochrome P450 epoxidase from Streptomyces antibioticus involved in Oleandomycin biosynthesis: functional analysis and crystallographic structure in complex with clotrimazole. | Descriptor: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Montemiglio, L.C, Parisi, G, Scaglione, A, Savino, C, Vallone, B. | Deposit date: | 2014-12-22 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Functional analysis and crystallographic structure of clotrimazole bound OleP, a cytochrome P450 epoxidase from Streptomyces antibioticus involved in oleandomycin biosynthesis. Biochim.Biophys.Acta, 1860, 2015
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4XPI
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![BU of 4xpi by Molmil](/molmil-images/mine/4xpi) | Fe protein independent substrate reduction by nitrogenase variants altered in intramolecular electron transfer | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, ... | Authors: | Danyal, K, Rasmusen, A.J, Keable, S.M, Shaw, S, Zadvornyy, O, Duval, S, Dean, D.R, Raugei, S, Peters, J.W, Seefeldt, L.C. | Deposit date: | 2015-01-17 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Fe protein-independent substrate reduction by nitrogenase MoFe protein variants. Biochemistry, 54, 2015
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4XRO
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6R2U
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![BU of 6r2u by Molmil](/molmil-images/mine/6r2u) | Zinc-alpha2-Glycoprotein with a Fluorescent Dansyl C 11 Fatty Acid | Descriptor: | 11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid, AZIDE ION, SULFATE ION, ... | Authors: | Lau, A.M, Gor, J, Perkins, S.J, Coker, A.R, McDermott, L.C. | Deposit date: | 2019-03-18 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Crystal structure of zinc-alpha 2-glycoprotein in complex with a fatty acid reveals multiple different modes of protein-lipid binding. Biochem.J., 476, 2019
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4XRQ
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6R6Q
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6RA6
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![BU of 6ra6 by Molmil](/molmil-images/mine/6ra6) | Ferric murine neuroglobin Gly-loop44-47/F106A mutant | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Exertier, C, Freda, I, Montemiglio, L.C, Savino, C, Vallone, B. | Deposit date: | 2019-04-05 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Lack of orientation selectivity of the heme insertion in murine neuroglobin revealed by resonance Raman spectroscopy. Febs J., 287, 2020
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4YOA
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![BU of 4yoa by Molmil](/molmil-images/mine/4yoa) | Crsystal structure HIV-1 Protease MDR769 L33F Complexed with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 Protease | Authors: | Kuiper, B.D, Keusch, B, Dewdney, T.G, Chordia, P, Brunzelle, J.S, Ross, K, Kovari, I.A, MacArthur, R, Salimnia, H, Kovari, L.C. | Deposit date: | 2015-03-11 | Release date: | 2015-07-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.697 Å) | Cite: | The L33F darunavir resistance mutation acts as a molecular anchor reducing the flexibility of the HIV-1 protease 30s and 80s loops. Biochem Biophys Rep, 2, 2015
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4YD1
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![BU of 4yd1 by Molmil](/molmil-images/mine/4yd1) | Ternary complex of human DNA Polymerase Mu with 2-nt gapped DNA substrate and an incoming nonhydrolyzable dUMPNPP | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | Moon, A.F, Gosavi, R.A, Kunkel, T.A, Pedersen, L.C, Bebenek, K. | Deposit date: | 2015-02-20 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Creative template-dependent synthesis by human polymerase mu. Proc.Natl.Acad.Sci.USA, 112, 2015
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