6PBO
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![BU of 6pbo by Molmil](/molmil-images/mine/6pbo) | Staphylococcus aureus Dihydrofolate reductase in complex with NADPH and UCP1232 | Descriptor: | (4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}phenyl)acetic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Reeve, S.M, Wright, D.L. | Deposit date: | 2019-06-14 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | Toward Broad Spectrum Dihydrofolate Reductase Inhibitors Targeting Trimethoprim Resistant Enzymes Identified in Clinical Isolates of Methicillin ResistantStaphylococcus aureus. Acs Infect Dis., 5, 2019
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4M65
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![BU of 4m65 by Molmil](/molmil-images/mine/4m65) | In situ thermolysin crystallized on a MiTeGen micromesh with asparagine ligand | Descriptor: | 1,2-ETHANEDIOL, ASPARAGINE, CALCIUM ION, ... | Authors: | Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S. | Deposit date: | 2013-08-08 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Hitting the target: fragment screening with acoustic in situ
co-crystallization of proteins plus fragment libraries on
pin-mounted data-collection micromeshes Acta Crystallogr.,Sect.D, D70
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4MLM
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![BU of 4mlm by Molmil](/molmil-images/mine/4mlm) | Crystal Structure of PhnZ from uncultured bacterium HF130_AEPn_1 | Descriptor: | FE (III) ION, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | van Staalduinen, L.M, McSorley, F.R, Zechel, D.L, Jia, Z, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2013-09-06 | Release date: | 2014-04-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of PhnZ in complex with substrate reveals a di-iron oxygenase mechanism for catabolism of organophosphonates. Proc.Natl.Acad.Sci.USA, 111, 2014
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6P9Z
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4KT1
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![BU of 4kt1 by Molmil](/molmil-images/mine/4kt1) | Complex of R-spondin 1 with LGR4 extracellular domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat-containing G-protein coupled receptor 4, ... | Authors: | Wang, X.Q, Wang, D.L. | Deposit date: | 2013-05-19 | Release date: | 2013-06-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Structural basis for R-spondin recognition by LGR4/5/6 receptors Genes Dev., 27, 2013
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4N8Z
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![BU of 4n8z by Molmil](/molmil-images/mine/4n8z) | In situ lysozyme crystallized on a MiTeGen micromesh with benzamidine ligand | Descriptor: | BENZAMIDINE, CHLORIDE ION, Lysozyme C, ... | Authors: | Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S. | Deposit date: | 2013-10-18 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes. Acta Crystallogr.,Sect.D, 70, 2014
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4KRR
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![BU of 4krr by Molmil](/molmil-images/mine/4krr) | Crystal structure of Drosophila WntD N-terminal domain-linker (residues 31-240) | Descriptor: | GLYCEROL, SODIUM ION, Wnt inhibitor of Dorsal protein | Authors: | Chu, M.L.-H, Choi, H.-J, Ahn, V.E, Daniels, D.L, Nusse, R, Weis, W.I. | Deposit date: | 2013-05-16 | Release date: | 2013-07-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.124 Å) | Cite: | Structural Studies of Wnts and Identification of an LRP6 Binding Site. Structure, 21, 2013
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4LTP
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![BU of 4ltp by Molmil](/molmil-images/mine/4ltp) | Bacterial sodium channel in high calcium, I222 space group, crystal 2 | Descriptor: | CALCIUM ION, Ion transport protein | Authors: | Shaya, D, Findeisen, F, Abderemane-Ali, F, Arrigoni, C, Wong, S, Reddy Nurva, S, Loussouarn, G, Minor, D.L. | Deposit date: | 2013-07-23 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structure of a prokaryotic sodium channel pore reveals essential gating elements and an outer ion binding site common to eukaryotic channels. J.Mol.Biol., 426, 2014
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4LTO
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![BU of 4lto by Molmil](/molmil-images/mine/4lto) | Bacterial sodium channel in high calcium, I222 space group | Descriptor: | CALCIUM ION, Ion transport protein, NICKEL (II) ION | Authors: | Shaya, D, Findeisen, F, Abderemane-Ali, F, Arrigoni, C, Wong, S, Reddy Nurva, S, Loussouarn, G, Minor, D.L. | Deposit date: | 2013-07-23 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.46 Å) | Cite: | Structure of a prokaryotic sodium channel pore reveals essential gating elements and an outer ion binding site common to eukaryotic channels. J.Mol.Biol., 426, 2014
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4MLN
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![BU of 4mln by Molmil](/molmil-images/mine/4mln) | Crystal of PhnZ bound to (R)-2-amino-1-hydroxyethylphosphonic acid | Descriptor: | FE (III) ION, Predicted HD phosphohydrolase PhnZ, [(1R)-2-amino-1-hydroxyethyl]phosphonic acid | Authors: | van Staalduinen, L.M, McSorley, F.R, Zechel, D.L, Jia, Z, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2013-09-06 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of PhnZ in complex with substrate reveals a di-iron oxygenase mechanism for catabolism of organophosphonates. Proc.Natl.Acad.Sci.USA, 111, 2014
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4NCY
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![BU of 4ncy by Molmil](/molmil-images/mine/4ncy) | In situ trypsin crystallized on a MiTeGen micromesh with imidazole ligand | Descriptor: | 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ... | Authors: | Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S. | Deposit date: | 2013-10-25 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes. Acta Crystallogr.,Sect.D, 70, 2014
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1TS5
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![BU of 1ts5 by Molmil](/molmil-images/mine/1ts5) | I140T MUTANT OF TOXIC SHOCK SYNDROME TOXIN-1 FROM S. AUREUS | Descriptor: | TOXIC SHOCK SYNDROME TOXIN-1 | Authors: | Earhart, C.A, Mitchell, D.T, Murray, D.L, Pinheiro, D.M, Matsumura, M, Schlievert, P.M, Ohlendorf, D.H. | Deposit date: | 1997-10-10 | Release date: | 1998-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of five mutants of toxic shock syndrome toxin-1 with reduced biological activity. Biochemistry, 37, 1998
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6V36
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6V37
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6V3I
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6W7B
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![BU of 6w7b by Molmil](/molmil-images/mine/6w7b) | K2P2.1 (TREK-1), 0 mM K+ | Descriptor: | CADMIUM ION, DECANE, DODECANE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2020-03-19 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.88 Å) | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions. Sci Adv, 6, 2020
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6W84
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![BU of 6w84 by Molmil](/molmil-images/mine/6w84) | K2P2.1 (TREK-1), 200 mM K+ | Descriptor: | CADMIUM ION, DODECANE, N-OCTANE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2020-03-20 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions. Sci Adv, 6, 2020
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6W8A
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![BU of 6w8a by Molmil](/molmil-images/mine/6w8a) | K2P2.1 (TREK-1):ML335 complex, 10 mM K+ | Descriptor: | CADMIUM ION, DODECANE, HEXADECANE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2020-03-20 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions. Sci Adv, 6, 2020
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6W8F
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![BU of 6w8f by Molmil](/molmil-images/mine/6w8f) | K2P2.1 (TREK-1):ML335 complex, 0 mM K+ | Descriptor: | CADMIUM ION, DODECANE, HEXADECANE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2020-03-20 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions. Sci Adv, 6, 2020
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6MUW
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![BU of 6muw by Molmil](/molmil-images/mine/6muw) | The structure of the Plasmodium falciparum 20S proteasome. | Descriptor: | 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ... | Authors: | Metcalfe, R.D, Xie, S.C, Hanssen, E, Gillett, D.L, Leis, A.P, Tilley, L, Griffin, M.D.W. | Deposit date: | 2018-10-23 | Release date: | 2019-08-07 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | The structure of the PA28-20S proteasome complex from Plasmodium falciparum and implications for proteostasis. Nat Microbiol, 4, 2019
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6W82
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![BU of 6w82 by Molmil](/molmil-images/mine/6w82) | K2P2.1 (TREK-1), 50 mM K+ | Descriptor: | CADMIUM ION, DECANE, DODECANE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2020-03-20 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions. Sci Adv, 6, 2020
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6W86
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![BU of 6w86 by Molmil](/molmil-images/mine/6w86) | K2P2.1 (TREK-1):ML335 complex, 100 mM K+ | Descriptor: | CADMIUM ION, DECANE, DODECANE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2020-03-20 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.299 Å) | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions. Sci Adv, 6, 2020
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6NBP
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![BU of 6nbp by Molmil](/molmil-images/mine/6nbp) | Crystal Structure of a Sugar N-Formyltransferase from the Plant Pathogen Pantoea ananatis | Descriptor: | N-formyltransferase, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, PHOSPHATE ION, ... | Authors: | Hofmeister, D.L, Thoden, J.B, Holden, H.M. | Deposit date: | 2018-12-09 | Release date: | 2018-12-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Investigation of a sugar N-formyltransferase from the plant pathogen Pantoea ananatis. Protein Sci., 28, 2019
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6ND2
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![BU of 6nd2 by Molmil](/molmil-images/mine/6nd2) | Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3R)-3-[2-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1063) | Descriptor: | 6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate reductase, GLYCEROL, ... | Authors: | Reeve, S.M, Wright, D.L. | Deposit date: | 2018-12-13 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.243 Å) | Cite: | Structure-Guided In Vitro to In Vivo Pharmacokinetic Optimization of Propargyl-Linked Antifolates. Drug Metab.Dispos., 47, 2019
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6W7D
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![BU of 6w7d by Molmil](/molmil-images/mine/6w7d) | K2P2.1 (TREK-1), 10 mM K+ | Descriptor: | CADMIUM ION, DODECANE, HEXADECANE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2020-03-19 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions. Sci Adv, 6, 2020
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