4MOT
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![BU of 4mot by Molmil](/molmil-images/mine/4mot) | Structure of Streptococcus pneumonia pare in complex with AZ13072886 | Descriptor: | 1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea, Topoisomerase IV subunit B | Authors: | Ogg, D, Boriack-Sjodin, P.A. | Deposit date: | 2013-09-12 | Release date: | 2013-11-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy. Bioorg.Med.Chem.Lett., 24, 2014
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4AKX
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![BU of 4akx by Molmil](/molmil-images/mine/4akx) | Structure of the heterodimeric complex ExoU-SpcU from the type III secretion system (T3SS) of Pseudomonas aeruginosa | Descriptor: | EXOU, SPCU | Authors: | Gendrin, C, Contreras-Martel, C, Bouillot, S, Elsen, S, Lemaire, D, Skoufias, D.A, Huber, P, Attree, I, Dessen, A. | Deposit date: | 2012-02-29 | Release date: | 2012-04-18 | Last modified: | 2012-05-30 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Structural Basis of Cytotoxicity Mediated by the Type III Secretion Toxin Exou from Pseudomonas Aeruginosa Plos Pathog., 8, 2012
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3CS8
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8A6L
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1EUB
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![BU of 1eub by Molmil](/molmil-images/mine/1eub) | SOLUTION STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN COLLAGENASE-3 (MMP-13) COMPLEXED TO A POTENT NON-PEPTIDIC SULFONAMIDE INHIBITOR | Descriptor: | 1-METHYLOXY-4-SULFONE-BENZENE, 3-METHYLPYRIDINE, CALCIUM ION, ... | Authors: | Zhang, X, Gonnella, N.C, Koehn, J, Pathak, N, Ganu, V, Melton, R, Parker, D, Hu, S.I, Nam, K.Y. | Deposit date: | 2000-04-14 | Release date: | 2001-04-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the catalytic domain of human collagenase-3 (MMP-13) complexed to a potent non-peptidic sulfonamide inhibitor: binding comparison with stromelysin-1 and collagenase-1. J.Mol.Biol., 301, 2000
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7ZR2
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![BU of 7zr2 by Molmil](/molmil-images/mine/7zr2) | Crystal structure of a chimeric protein mimic of SARS-CoV-2 Spike HR1 in complex with HR2 | Descriptor: | Spike protein S2', Spike protein S2',Chimeric protein mimic of SARS-CoV-2 Spike HR1 | Authors: | Camara-Artigas, A, Gavira, J.A, Cano-Munoz, M, Polo-Megias, D, Conejero-Lara, F. | Deposit date: | 2022-05-03 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Novel chimeric proteins mimicking SARS-CoV-2 spike epitopes with broad inhibitory activity. Int.J.Biol.Macromol., 222, 2022
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2OJ1
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![BU of 2oj1 by Molmil](/molmil-images/mine/2oj1) | Disulfide-linked dimer of azurin N42C/M64E double mutant | Descriptor: | Azurin, COPPER (II) ION | Authors: | de Jongh, T.E, Hoffmann, M, Einsle, O, Cavazzini, D, Rossi, G.L, Ubbink, M, Canters, G.W. | Deposit date: | 2007-01-12 | Release date: | 2007-11-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Inter- and intramolecular electron transfer in modified azurin dimers Eur.J.Inorg.Chem., 2007, 2007
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7ZRD
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![BU of 7zrd by Molmil](/molmil-images/mine/7zrd) | Cryo-EM map of the WT KdpFABC complex in the E1-P tight conformation, stabilised with the inhibitor orthovanadate | Descriptor: | CARDIOLIPIN, POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, ... | Authors: | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Stansfeld, P.J, Haenelt, I, Paulino, C. | Deposit date: | 2022-05-04 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Inhibited KdpFABC transitions into an E1 off-cycle state. Elife, 11, 2022
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8F0V
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![BU of 8f0v by Molmil](/molmil-images/mine/8f0v) | Lipocalin-like Milk protein-2 - E38A mutant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Milk protein, ZINC ION | Authors: | Subramanian, R, KanagaVijayan, D. | Deposit date: | 2022-11-04 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.951 Å) | Cite: | Variability in phenylalanine side chain conformations facilitates broad substrate tolerance of fatty acid binding in cockroach milk proteins. Plos One, 18, 2023
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8F0Y
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![BU of 8f0y by Molmil](/molmil-images/mine/8f0y) | Lipocalin-like Milk protein-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Milk protein | Authors: | Subramanian, R, KanagaVijayan, D, Shantakumar, R.P.S. | Deposit date: | 2022-11-04 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Variability in phenylalanine side chain conformations facilitates broad substrate tolerance of fatty acid binding in cockroach milk proteins. Plos One, 18, 2023
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2OKE
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![BU of 2oke by Molmil](/molmil-images/mine/2oke) | High Resolution Crystal Structures of Vaccinia Virus dUTPase | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | Schormann, N, Chattopadhyay, D. | Deposit date: | 2007-01-16 | Release date: | 2007-05-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of vaccinia virus dUTPase and its nucleotide complexes. Acta Crystallogr.,Sect.D, 63, 2007
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3JRG
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2NUD
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![BU of 2nud by Molmil](/molmil-images/mine/2nud) | The structure of the type III effector AvrB complexed with a high-affinity RIN4 peptide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Avirulence B protein, RPM1-interacting protein 4, ... | Authors: | Singer, A.U, Desveaux, D, Wu, A.J, McNulty, B, Sondek, J, Dangl, J.L. | Deposit date: | 2006-11-09 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Type III Effector Activation via Nucleotide Binding, Phosphorylation, and Host Target Interaction. Plos Pathog., 3, 2007
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3JRW
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![BU of 3jrw by Molmil](/molmil-images/mine/3jrw) | Phosphorylated BC domain of ACC2 | Descriptor: | Acetyl-CoA carboxylase 2 | Authors: | Cho, Y.S, Lee, J.I, Shin, D, Kim, H.T, Lee, T.G, Heo, Y.S. | Deposit date: | 2009-09-09 | Release date: | 2010-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular mechanism for the regulation of human ACC2 through phosphorylation by AMPK Biochem.Biophys.Res.Commun., 391, 2010
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3CXV
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3CXX
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2NVQ
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![BU of 2nvq by Molmil](/molmil-images/mine/2nvq) | RNA Polymerase II Elongation Complex in 150 mM Mg+2 with 2'dUTP | Descriptor: | 28-MER DNA template strand, 5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3', 5'-R(*AP*UP*CP*GP*AP*GP*AP*GP*GP*A)-3', ... | Authors: | Wang, D, Bushnell, D.A, Westover, K.D, Kaplan, C.D, Kornberg, R.D. | Deposit date: | 2006-11-13 | Release date: | 2006-12-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of transcription: role of the trigger loop in substrate specificity and catalysis Cell(Cambridge,Mass.), 127, 2006
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3ZKR
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![BU of 3zkr by Molmil](/molmil-images/mine/3zkr) | X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) in complex with bromoform | Descriptor: | CYS-LOOP LIGAND-GATED ION CHANNEL, TRIBROMOMETHANE | Authors: | Spurny, R, Billen, B, Howard, R.J, Brams, M, Debaveye, S, Price, K.L, Weston, D.A, Strelkov, S.V, Tytgat, J, Bertrand, S, Bertrand, D, Lummis, S.C.R, Ulens, C. | Deposit date: | 2013-01-24 | Release date: | 2013-02-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.649 Å) | Cite: | Multisite Binding of a General Anesthetic to the Prokaryotic Pentameric Erwinia Chrysanthemi Ligand-Gated Ion Channel (Elic). J.Biol.Chem., 288, 2013
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6TM5
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8AAC
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2NWL
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![BU of 2nwl by Molmil](/molmil-images/mine/2nwl) | Crystal structure of GltPh in complex with L-Asp | Descriptor: | ASPARTIC ACID, PALMITIC ACID, glutamate symport protein | Authors: | Gouaux, E, Boudker, O, Ryan, R, Yernool, D, Shimamoto, K. | Deposit date: | 2006-11-15 | Release date: | 2007-02-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Coupling substrate and ion binding to extracellular gate of a sodium-dependent aspartate transporter. Nature, 445, 2007
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2NY1
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![BU of 2ny1 by Molmil](/molmil-images/mine/2ny1) | HIV-1 gp120 Envelope Glycoprotein (I109C, T257S, S334A, S375W, Q428C) Complexed with CD4 and Antibody 17b | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ... | Authors: | Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D. | Deposit date: | 2006-11-20 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural definition of a conserved neutralization epitope on HIV-1 gp120. Nature, 445, 2007
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3JW8
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![BU of 3jw8 by Molmil](/molmil-images/mine/3jw8) | Crystal structure of human mono-glyceride lipase | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, MGLL protein | Authors: | Bertrand, T, Auge, F, Houtmann, J, Rak, A, Vallee, F, Mikol, V, Berne, P.F, Michot, N, Cheuret, D, Hoornaert, C, Mathieu, M. | Deposit date: | 2009-09-18 | Release date: | 2010-01-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for human monoglyceride lipase inhibition. J.Mol.Biol., 396, 2010
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3ZRB
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![BU of 3zrb by Molmil](/molmil-images/mine/3zrb) | Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators | Descriptor: | (R)-N-[1-[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]ETHYL]-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE, 2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE, GLYCEROL, ... | Authors: | Lusher, S.J, Raaijmakers, H.C.A, Vu-Pham, D, Dechering, K, Wai Lam, T, Brown, A.R, Hamilton, N.M, Nimz, O, Azevedo, R, Mcguire, R, Oubrie, A, de Vlieg, J. | Deposit date: | 2011-06-15 | Release date: | 2011-08-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators. J. Biol. Chem., 286, 2011
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3ZRH
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![BU of 3zrh by Molmil](/molmil-images/mine/3zrh) | Crystal structure of the Lys29, Lys33-linkage-specific TRABID OTU deubiquitinase domain reveals an Ankyrin-repeat ubiquitin binding domain (AnkUBD) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, UBIQUITIN THIOESTERASE ZRANB1 | Authors: | Licchesi, J.D.F, Akutsu, M, Komander, D. | Deposit date: | 2011-06-16 | Release date: | 2011-12-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | An Ankyrin-Repeat Ubiquitin-Binding Domain Determines Trabid'S Specificity for Atypical Ubiquitin Chains. Nat.Struct.Mol.Biol., 19, 2011
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