1M6T
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![BU of 1m6t by Molmil](/molmil-images/mine/1m6t) | CRYSTAL STRUCTURE OF B562RIL, A REDESIGNED FOUR HELIX BUNDLE | Descriptor: | SULFATE ION, Soluble cytochrome b562 | Authors: | Chu, R, Takei, J, Knowlton, J.R, Andrykovitch, M, Pei, W, Kajava, A.V, Steinbach, P.J, Ji, X, Bai, Y. | Deposit date: | 2002-07-17 | Release date: | 2002-11-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Redesign of a Four-Helix Bundle Protein by Phage Display Coupled with Proteolysis
and Structural Characterization by NMR and X-ray Crystallography J.Mol.Biol., 323, 2002
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1M3W
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![BU of 1m3w by Molmil](/molmil-images/mine/1m3w) | Crystal Structure of a Molecular Maquette Scaffold | Descriptor: | H10H24, MERCURY (II) ION | Authors: | Huang, S.S, Gibney, B.R, Stayrook, S.E, Dutton, P.L, Lewis, M. | Deposit date: | 2002-07-01 | Release date: | 2003-02-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray Structure of a Maquette Scaffold J.Mol.Biol., 326, 2003
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3MX6
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![BU of 3mx6 by Molmil](/molmil-images/mine/3mx6) | |
4Q9D
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![BU of 4q9d by Molmil](/molmil-images/mine/4q9d) | X-ray structure of a putative thiamin diphosphate-dependent enzyme isolated from Mycobacterium smegmatis | Descriptor: | Benzoylformate decarboxylase, FORMIC ACID, MAGNESIUM ION | Authors: | Andrews, F.H, Horton, J.D, Yoon, H.J, Malik, A.M.K, Logsdon, M.G, Shin, D.H, Kneen, M.M, Suh, S.W, McLeish, M.J. | Deposit date: | 2014-04-30 | Release date: | 2015-04-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The kinetic characterization and X-ray structure of a putative benzoylformate decarboxylase from M. smegmatis highlights the difficulties in the functional annotation of ThDP-dependent enzymes. Biochim.Biophys.Acta, 1854, 2015
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3MR1
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![BU of 3mr1 by Molmil](/molmil-images/mine/3mr1) | |
2H2Q
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![BU of 2h2q by Molmil](/molmil-images/mine/2h2q) | Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate synthase | Descriptor: | 2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Senkovich, O, Schormann, N, Chattopadhyay, D. | Deposit date: | 2006-05-19 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function. Proteins, 73, 2008
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4KAM
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![BU of 4kam by Molmil](/molmil-images/mine/4kam) | |
4LGV
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![BU of 4lgv by Molmil](/molmil-images/mine/4lgv) | |
4O2D
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7DOO
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![BU of 7doo by Molmil](/molmil-images/mine/7doo) | Crystal Structure of PenA beta-Lactamase-Avibactam Complex | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | Authors: | Nukaga, M, Papp-Wallace, K.M, Bonomo, R.A. | Deposit date: | 2020-12-15 | Release date: | 2020-12-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Overcoming an Extremely Drug Resistant (XDR) Pathogen: Avibactam Restores Susceptibility to Ceftazidime for Burkholderia cepacia Complex Isolates from Cystic Fibrosis Patients. Acs Infect Dis., 3, 2017
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8C6I
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![BU of 8c6i by Molmil](/molmil-images/mine/8c6i) | TMEM2 ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Hohenester, E. | Deposit date: | 2023-01-11 | Release date: | 2023-02-01 | Last modified: | 2023-06-07 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of the transmembrane protein 2 (TMEM2) ectodomain and its apparent lack of hyaluronidase activity. Wellcome Open Res, 8, 2023
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6FHY
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![BU of 6fhy by Molmil](/molmil-images/mine/6fhy) | Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside | Descriptor: | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{S},4~{R},6~{R})-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Houser, J, Jancarikova, G, Wimmerova, M. | Deposit date: | 2018-01-16 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica. Sci Rep, 9, 2019
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8DCQ
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6FHX
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![BU of 6fhx by Molmil](/molmil-images/mine/6fhx) | Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside | Descriptor: | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{R})-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol, CHLORIDE ION, Lectin PHL, ... | Authors: | Houser, J, Jancarikova, G, Wimmerova, M. | Deposit date: | 2018-01-16 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica. Sci Rep, 9, 2019
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5D9I
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![BU of 5d9i by Molmil](/molmil-images/mine/5d9i) | SV40 Large T antigen origin binding domain bound to artificial DNA fork | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Meinke, G, Bohm, A, Bullock, P.A. | Deposit date: | 2015-08-18 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based analysis of the interaction between the simian virus 40 T-antigen origin binding domain and single-stranded DNA. J. Virol., 85, 2011
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6FLU
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![BU of 6flu by Molmil](/molmil-images/mine/6flu) | Photorhabdus asymbiotica lectin (PHL) in complex with synthetic C-fucoside | Descriptor: | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[(2~{R},3~{S},4~{R},6~{S})-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]methyl]-6-methyl-oxane-3,4,5-triol, CHLORIDE ION, Photorhabdus asymbitoca lectin PHL, ... | Authors: | Houser, J, Jancarikova, G, Wimmerova, M. | Deposit date: | 2018-01-28 | Release date: | 2019-02-06 | Last modified: | 2019-10-30 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Fucosylated inhibitors of recently identified bangle lectin from Photorhabdus asymbiotica. Sci Rep, 9, 2019
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6H6Q
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![BU of 6h6q by Molmil](/molmil-images/mine/6h6q) | Fragment Derived XIAP inhibitor | Descriptor: | 2-[(2~{R},5~{R})-2-[[(3~{R},5~{R})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{S})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Williams, P.A. | Deposit date: | 2018-07-30 | Release date: | 2018-08-22 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one (ASTX660). J. Med. Chem., 61, 2018
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1ZBB
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![BU of 1zbb by Molmil](/molmil-images/mine/1zbb) | Structure of the 4_601_167 Tetranucleosome | Descriptor: | DNA STRAND 1 (ARBITRARY MODEL SEQUENCE), DNA STRAND 2 (ARBITRARY MODEL SEQUENCE), HISTONE H3, ... | Authors: | Schalch, T, Duda, S, Sargent, D.F, Richmond, T.J. | Deposit date: | 2005-04-08 | Release date: | 2005-07-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (9 Å) | Cite: | X-ray structure of a tetranucleosome and its implications for the chromatin fibre. Nature, 436, 2005
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7JGX
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![BU of 7jgx by Molmil](/molmil-images/mine/7jgx) | |
7JHF
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![BU of 7jhf by Molmil](/molmil-images/mine/7jhf) | |
7JGY
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3QUM
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![BU of 3qum by Molmil](/molmil-images/mine/3qum) | Crystal structure of human prostate specific antigen (PSA) in Fab sandwich with a high affinity and a PCa selective antibody | Descriptor: | Fab 5D3D11 Heavy Chain, Fab 5D3D11 Light Chain, Fab 5D5A5 Heavy Chain, ... | Authors: | Stura, E.A, Muller, B.H, Michel, S, Ducancel, F. | Deposit date: | 2011-02-24 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of human prostate-specific antigen in a sandwich antibody complex. J.Mol.Biol., 414, 2011
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3FV7
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![BU of 3fv7 by Molmil](/molmil-images/mine/3fv7) | OXA-24 beta-lactamase complex with SA4-44 inhibitor | Descriptor: | (2S)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24 | Authors: | Bou, G, Santillana, E, Sheri, A, Beceiro, A, Sampson, J.M, Kalp, M, Bethel, C.R, Distler, A.M, Drawz, S.M, Pagadala, S.R, Van den Akker, F, Bonomo, R.A, Romero, A, Buynak, J.D. | Deposit date: | 2009-01-15 | Release date: | 2010-02-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase. J.Am.Chem.Soc., 132, 2010
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3FYD
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![BU of 3fyd by Molmil](/molmil-images/mine/3fyd) | |
3UVE
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![BU of 3uve by Molmil](/molmil-images/mine/3uve) | |