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2Z2N
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Crystal Structure of selenomethionine substituted virginiamycin B lyase from Staphylococcus aureus
Descriptor: CHLORIDE ION, virginiamycin B lyase
Authors:Korczynska, M, Berghuis, A.M.
Deposit date:2007-05-25
Release date:2007-06-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis for streptogramin B resistance in Staphylococcus aureus by virginiamycin B lyase
Proc.Natl.Acad.Sci.Usa, 104, 2007
2Z2P
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Crystal Structure of catalytically inactive H270A virginiamycin B lyase from Staphylococcus aureus with Quinupristin
Descriptor: 5-(2-DIETHYLAMINO-ETHANESULFONYL)-21-HYDROXY-10-ISOPROPYL-11,19-DIMETHYL-9,26-DIOXA-3,15,28-TRIAZA-TRICYCLO[23.2.1.00,255]OCTACOSA-1(27),12,17,19,25(28)-PENTAENE-2,8,14,23-TETRAONE, MAGNESIUM ION, Quinupristin, ...
Authors:Korczynska, M, Berghuis, A.M.
Deposit date:2007-05-25
Release date:2007-06-19
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for Streptogramin B Resistance in Staphylococcus Aureus by Virginiamycin B Lyase
Proc.Natl.Acad.Sci.USA, 104, 2007
2ZJ1
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BU of 2zj1 by Molmil
Crystal structure of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with NAD and 3'-keto-aristeromycin
Descriptor: (2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Reddy, M.C.M, Gokulan, K, Shetty, N.D, Owen, J.L, Ioerger, T.R, Sacchettini, J.C.
Deposit date:2008-02-29
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.
Protein Sci., 17, 2008
5IDI
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BU of 5idi by Molmil
Structure of beta glucosidase 1A from Thermotoga neapolitana, mutant E349A
Descriptor: 1,4-beta-D-glucan glucohydrolase, ACETATE ION
Authors:Kulkarni, T, Nordberg Karlsson, E, Logan, D.T.
Deposit date:2016-02-24
Release date:2017-02-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of beta-glucosidase 1A from Thermotoga neapolitana and comparison of active site mutants for hydrolysis of flavonoid glucosides.
Proteins, 85, 2017
8OKF
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BU of 8okf by Molmil
WD repeat containing protein 5 (WDR5)- PER2 peptide
Descriptor: CHLORIDE ION, Glutathione S-transferase class-mu 26 kDa isozyme,WD repeat domain 5, PENTAETHYLENE GLYCOL, ...
Authors:Wolf, E, Boergel, A.
Deposit date:2023-03-28
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A structural competition involving WDR5 times circadian oscillations
To Be Published
7ZG8
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BU of 7zg8 by Molmil
Crystal structure of A. baumannii penicillin-binding protein 2
Descriptor: Peptidoglycan D,D-transpeptidase MrdA, ZINC ION
Authors:Micelli, C, Crow, A, Roper, D.I.
Deposit date:2022-04-02
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A conserved zinc-binding site in Acinetobacter baumannii PBP2 required for elongasome-directed bacterial cell shape.
Proc.Natl.Acad.Sci.USA, 120, 2023
5IJC
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BU of 5ijc by Molmil
The crystal structure of mouse TLR4/MD-2/neoseptin-3 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, Lymphocyte antigen 96, ...
Authors:Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B.
Deposit date:2016-03-01
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS.
Proc.Natl.Acad.Sci.USA, 113, 2016
2ZJ0
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BU of 2zj0 by Molmil
Crystal structure of Mycobacterium tuberculosis S-Adenosyl-L-homocysteine hydrolase in ternary complex with NAD and 2-fluoroadenosine
Descriptor: 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Reddy, M.C.M, Gokulan, K, Shetty, N.D, Owen, J.L, Ioerger, T.R, Sacchettini, J.C.
Deposit date:2008-02-29
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.
Protein Sci., 17, 2008
8OK1
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BU of 8ok1 by Molmil
WD repeat containing protein 5 (WDR5)- N225A mutant
Descriptor: Glutathione S-transferase class-mu 26 kDa isozyme,WD repeat-containing protein 5
Authors:Wolf, E, Boergel, A.
Deposit date:2023-03-26
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:A structural competition involving WDR5 times circadian oscillations
To Be Published
7ZJB
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BU of 7zjb by Molmil
Structural and functional characterization of the bacterial lytic polysaccharide Monooxygenase ScLPMO10D
Descriptor: COPPER (II) ION, Putative secreted cellulose-binding protein, SODIUM ION, ...
Authors:Votvik, A.K, Rohr, A.K, Stepnov, A.A, Bissaro, B, Sorlie, M, Eijsink, V.G.H, Forsberg, Z.
Deposit date:2022-04-10
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structural and functional characterization of the catalytic domain of a cell-wall anchored bacterial lytic polysaccharide monooxygenase from Streptomyces coelicolor.
Sci Rep, 13, 2023
2D3O
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BU of 2d3o by Molmil
Structure of Ribosome Binding Domain of the Trigger Factor on the 50S ribosomal subunit from D. radiodurans
Descriptor: 23S RIBOSOMAL RNA, 50S RIBOSOMAL PROTEIN L23, 50S RIBOSOMAL PROTEIN L24, ...
Authors:Schluenzen, F, Wilson, D.N, Hansen, H.A, Tian, P, Harms, J.M, McInnes, S.J, Albrecht, R, Buerger, J, Wilbanks, S.M, Fucini, P.
Deposit date:2005-09-30
Release date:2005-12-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:The Binding Mode of the Trigger Factor on the Ribosome: Implications for Protein Folding and SRP Interaction
Structure, 13, 2005
5IQA
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BU of 5iqa by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPNP and Magnesium
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2016-03-10
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
5IQI
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BU of 5iqi by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) Y237F mutant in complex with GMPPNP and Magnesium
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2016-03-10
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
7C20
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BU of 7c20 by Molmil
Crystal structure of Rabies virus (Nishigahara strain) phosphoprotein C-terminal domain (K214A)
Descriptor: Phosphoprotein
Authors:Nomai, T, Maenaka, K, Ose, T.
Deposit date:2020-05-06
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural comparison of the C-terminal domain of functionally divergent lyssavirus P proteins.
Biochem.Biophys.Res.Commun., 529, 2020
7C21
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BU of 7c21 by Molmil
Crystal structure of Duvenhage virus phosphoprotein C-terminal domain
Descriptor: Phosphoprotein
Authors:Sugiyama, A, Jiang, X, Maenaka, K, Yao, M, Ose, T.
Deposit date:2020-05-06
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural comparison of the C-terminal domain of functionally divergent lyssavirus P proteins.
Biochem.Biophys.Res.Commun., 529, 2020
5IE1
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BU of 5ie1 by Molmil
Crystal structure of BACE1 in complex with 3-(2-amino-6-(o-tolyl)quinolin-3-yl)-N-(3,3-dimethylbutyl)propanamide
Descriptor: 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Jordan, J.B, Whittington, D.A, Bartberger, M.D, Sickmier, E.A, Chen, K, Cheng, Y, Judd, T.
Deposit date:2016-02-24
Release date:2016-03-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase.
J.Med.Chem., 59, 2016
5I69
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BU of 5i69 by Molmil
MBP-MamC magnetite-interaction component mutant-D70A
Descriptor: Maltose-binding periplasmic protein,Tightly bound bacterial magnetic particle protein,Maltose-binding periplasmic protein, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Nudelman, H, Tercedor, C.V, Kolusheva, S, Gonzalez, T.P, Widdrat, M, Grimberg, N, Levi, H, Nelkenbaum, O, Davidove, G, Faivre, D, Jimenez-Lopez, C, Zarivach, R.
Deposit date:2016-02-16
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-function studies of the magnetite-biomineralizing magnetosome-associated protein MamC.
J.Struct.Biol., 194, 2016
8A4M
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BU of 8a4m by Molmil
Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 8 (JMV-7061)
Descriptor: (2~{S})-2-[bis(1~{H}-imidazol-4-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
Authors:Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Sannio, F, Docquier, J.D, Pozzi, C, Mangani, S.
Deposit date:2022-06-13
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates.
J.Med.Chem., 65, 2022
8OUO
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BU of 8ouo by Molmil
Human TPC2 in Complex with Antagonist (S)-SG-094
Descriptor: (1S)-6-methoxy-2-methyl-7-phenoxy-1-[(4-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ...
Authors:Chi, G, Pike, A.C.W, Maclean, E.M, Li, H, Mukhopadhyay, S.M.M, Bohstedt, T, Wang, D, McKinley, G, Fernandez-Cid, A, Duerr, K.
Deposit date:2023-04-24
Release date:2024-06-12
Last modified:2024-08-21
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for inhibition of the lysosomal two-pore channel TPC2 by a small molecule antagonist.
Structure, 32, 2024
2ZIZ
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BU of 2ziz by Molmil
Crystal structure of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with NAD and 3-deazaadenosine
Descriptor: 3-DEAZA-ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Reddy, M.C.M, Gokulan, K, Shetty, N.D, Owen, J.L, Ioerger, T.R, Sacchettini, J.C.
Deposit date:2008-02-29
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.
Protein Sci., 17, 2008
7ZW4
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BU of 7zw4 by Molmil
Crystal structure of Talin R7R8 domains with Caskin-2 LD-peptide
Descriptor: Caskin-2, Talin-1
Authors:Celie, P.H.N, Joosten, R.P, Sonnenberg, A, Perrakis, A.
Deposit date:2022-05-18
Release date:2023-05-31
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Caskin2 is a novel talin- and Abi1-binding protein that promotes cell motility.
J.Cell.Sci., 137, 2024
5IQD
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BU of 5iqd by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPNP, Magnesium, and Ribostamycin
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2016-03-10
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
5IJ0
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BU of 5ij0 by Molmil
Cryo EM density of microtubule assembled from human TUBB3
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ti, S.-C, Pamula, M.C, Howes, S.C, Duellberg, C, Nicholas, C.I, Kleiner, R.E, Forth, S, Surrey, T, Nogales, E, Kapoor, T.M.
Deposit date:2016-03-01
Release date:2016-04-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Mutations in Human Tubulin Proximal to the Kinesin-Binding Site Alter Dynamic Instability at Microtubule Plus- and Minus-Ends.
Dev.Cell, 37, 2016
7BGS
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BU of 7bgs by Molmil
Archeal holliday junction resolvase from Thermus thermophilus phage 15-6
Descriptor: Holliday junction resolvase, SULFATE ION
Authors:Hakansson, M, Ahlqvist, J, Linares Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Al-Karadaghi, S.
Deposit date:2021-01-08
Release date:2022-01-19
Last modified:2022-02-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure and initial characterization of a novel archaeal-like Holliday junction-resolving enzyme from Thermus thermophilus phage Tth15-6.
Acta Crystallogr D Struct Biol, 78, 2022
7ZZX
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BU of 7zzx by Molmil
Crystal structure of Candida auris DHFR in apo form
Descriptor: Dihydrofolate reductase
Authors:Kirkman, T.J, Dias, M.V.B.
Deposit date:2022-05-26
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of dihydrofolate reductase from the emerging pathogenic fungus Candida auris.
Acta Crystallogr D Struct Biol, 79, 2023

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