6Y93
 
 | | Crystal structure of the DNA-binding domain of the Nucleoid Occlusion Factor (Noc) complexed to the Noc-binding site (NBS) | | Descriptor: | Noc Binding Site (NBS), Nucleoid occlusion protein | | Authors: | Jalal, A.S.B, Tran, N.T, Stevenson, C.E.M, Chan, E, Lo, R, Tan, X, Noy, A, Lawson, D.M, Le, T.B.K. | | Deposit date: | 2020-03-06 | | Release date: | 2020-08-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Diversification of DNA-Binding Specificity by Permissive and Specificity-Switching Mutations in the ParB/Noc Protein Family.
Cell Rep, 32, 2020
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6QTF
 | | Solution NMR of synthetic analogues of nisin and mutacin ring A and ring B - Mutacin I Ring B, major conformer | | Descriptor: | DCY-LEU-GLY-ALA-THR | | Authors: | Dickman, R, Mitchell, S.A, Figueiredo, A, Hansen, D.F, Tabor, A.B. | | Deposit date: | 2019-02-25 | | Release date: | 2019-09-11 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Molecular Recognition of Lipid II by Lantibiotics: Synthesis and Conformational Studies of Analogues of Nisin and Mutacin Rings A and B.
J.Org.Chem., 84, 2019
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6RA9
 | | Novel structural features and post-translational modifications in eukaryotic elongation factor 1A2 from Oryctolagus cuniculus | | Descriptor: | Elongation factor 1-alpha 2, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Carriles, A.A, Hermoso, J, Gago, F. | | Deposit date: | 2019-04-05 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Cues for Understanding eEF1A2 Moonlighting.
Chembiochem, 22, 2021
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6FY7
 | | Concerted dynamics of metallo-base pairs in an A/B-form helical transition (minor species) | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*TP*CP*AP*TP*GP*AP*TP*AP*CP*G)-3')_minor, MERCURY (II) ION | | Authors: | Schmidt, O.P, Jurt, S, Johannsen, S, Karimi, A, Sigel, R.K.O, Luedtke, N.W. | | Deposit date: | 2018-03-11 | | Release date: | 2019-10-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Concerted dynamics of metallo-base pairs in an A/B-form helical transition.
Nat Commun, 10, 2019
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7ZWT
 | | Crystal structure of human BCL6 BTB domain in complex with compound 14 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide, B-cell lymphoma 6 protein, ... | | Authors: | Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2022-05-19 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
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5K9G
 | | Crystal Structure of GTP Cyclohydrolase-IB with Tris | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ... | | Authors: | Alvarez, J, Stec, B, Swairjo, M.A. | | Deposit date: | 2016-05-31 | | Release date: | 2016-09-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism and catalytic strategy of the prokaryotic-specific GTP cyclohydrolase-IB.
Biochem.J., 474, 2017
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7OFA
 | | Keap1 kelch domain bound to a small molecule fragment | | Descriptor: | 2,6-bis(chloranyl)-5-fluoranyl-pyridine-3-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1 | | Authors: | Narayanan, D, Bach, A, Gajhede, M. | | Deposit date: | 2021-05-04 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
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7ZQ9
 | | Dimeric PSI of Chlamydomonas reinhardtii at 2.74 A resolution (symmetry expanded) | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Naschberger, A, Amunts, A. | | Deposit date: | 2022-04-29 | | Release date: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | Algal photosystem I dimer and high-resolution model of PSI-plastocyanin complex.
Nat.Plants, 8, 2022
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6R0E
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5KBZ
 | | Structure of the PksA Product Template domain in complex with a phosphopantetheine mimetic | | Descriptor: | (14R)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate, Noranthrone synthase | | Authors: | Tsai, S.C, Burkart, M.D, Townsend, C.A, Barajas, J.F, Shakya, G, Topper, C.L, Moreno, G, Jackson, D.R, Rivera, H, La Clair, J.J, Vagstad, A. | | Deposit date: | 2016-06-03 | | Release date: | 2017-05-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Polyketide mimetics yield structural and mechanistic insights into product template domain function in nonreducing polyketide synthases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5LFO
 | | Crystal structure of murine N1-acetylpolyamine oxidase in complex with N1-acetylspermine | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide, ... | | Authors: | Sjogren, T, Aagaard, A, Wassvik, C, Snijder, A, Barlind, L. | | Deposit date: | 2016-07-04 | | Release date: | 2017-03-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | The Structure of Murine N(1)-Acetylspermine Oxidase Reveals Molecular Details of Vertebrate Polyamine Catabolism.
Biochemistry, 56, 2017
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7AN5
 | | Enzyme of biosynthetic pathway | | Descriptor: | 3-[(1-Carboxyvinyl)oxy]benzoic acid, Chorismate dehydratase | | Authors: | Archna, A, Breithaupt, C, Stubbs, M.T. | | Deposit date: | 2020-10-11 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis
J.Biol.Chem., 2022
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7AN6
 | | Enzyme of biosynthetic pathway | | Descriptor: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, Chorismate dehydratase, GLYCEROL | | Authors: | Archna, A, Breithaupt, C, Stubbs, M.T. | | Deposit date: | 2020-10-11 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis
J.Biol.Chem., 2022
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6QYK
 | | Structure of MBP-Mcl-1 in complex with compound 7a | | Descriptor: | (2~{R})-2-[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | | Deposit date: | 2019-03-09 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity.
J.Med.Chem., 62, 2019
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6FWP
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-1,3-mannobiose and alpha-1,2-mannobiose | | Descriptor: | ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ... | | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2018-03-06 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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5LG1
 | | Room temperature structure of human IgG4-Fc from crystals analysed in situ | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-4 chain C region | | Authors: | Davies, A.M, Rispens, T, Ooijevaar-de Heer, P, Aalberse, R.C, Sutton, B.J. | | Deposit date: | 2016-07-05 | | Release date: | 2016-12-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Room temperature structure of human IgG4-Fc from crystals analysed in situ.
Mol. Immunol., 81, 2016
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6VLV
 | | Factor XIa in complex with compound 11 | | Descriptor: | 1-carbamimidamido-4-chloro-N-[(2R)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide, CITRATE ANION, Coagulation factor XIa light chain | | Authors: | Lesburg, C.A. | | Deposit date: | 2020-01-27 | | Release date: | 2020-05-06 | | Last modified: | 2020-10-07 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.
J.Chem.Inf.Model., 60, 2020
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5LHT
 | | ATP Phosphoribosyltransferase from Mycobacterium tuberculosis in complex with the allosteric activator 3-(2-Thienyl)-L-alanine | | Descriptor: | ATP phosphoribosyltransferase, BETA(2-THIENYL)ALANINE, GLYCEROL, ... | | Authors: | de Chiara, C, Pisco, J.P, de Carvalho, L.P, Smerdon, S.J, Walker, P.A, Ogrodowicz, R. | | Deposit date: | 2016-07-12 | | Release date: | 2017-07-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.0601 Å) | | Cite: | Uncoupling conformational states from activity in an allosteric enzyme.
Nat Commun, 8, 2017
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5KEN
 | | EBOV GP in complex with variable Fab domains of IgGs c4G7 and c13C6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ebola surface glycoprotein, ... | | Authors: | Pallesen, J, Murin, C.D, de Val, N, Cottrell, C.A, Hastie, K.M, Turner, H.L, Fusco, M.L, Flyak, A.I, Zeitlin, L, Crowe Jr, J.E, Andersen, K.G, Saphire, E.O, Ward, A.B. | | Deposit date: | 2016-06-09 | | Release date: | 2016-09-07 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structures of Ebola virus GP and sGP in complex with therapeutic antibodies.
Nat Microbiol, 1, 2016
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7AMP
 | | Crystal structure of the complex of HuJovi-1 Fab with the human A6 T-cell receptor TRBC1 | | Descriptor: | Alpha chain of A6 T-cell receptor, Beta chain 1 of A6 T-cell receptor TRBC1, CHLORIDE ION, ... | | Authors: | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | | Deposit date: | 2020-10-09 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
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6Y45
 | | Crystal Structure of the H33A variant of RsrR | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Rohac, R, Volbeda, A, Fontecilla-Camps, J.C. | | Deposit date: | 2020-02-19 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Electron and Proton Transfers Modulate DNA Binding by the Transcription Regulator RsrR.
J.Am.Chem.Soc., 142, 2020
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7ZQC
 | | Monomeric PSI of Chlamydomonas reinhardtii at 2.31 A resolution | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Naschberger, A, Amunts, A. | | Deposit date: | 2022-04-29 | | Release date: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (2.31 Å) | | Cite: | Algal photosystem I dimer and high-resolution model of PSI-plastocyanin complex.
Nat.Plants, 8, 2022
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6VMA
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7AMQ
 | | Crystal structure of the complex of HuJovi-1 Fab with the human TRBC2 | | Descriptor: | CHLORIDE ION, GLYCEROL, Human A6 T-cell receptor alpha chain, ... | | Authors: | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | | Deposit date: | 2020-10-09 | | Release date: | 2022-04-20 | | Last modified: | 2022-04-27 | | Method: | X-RAY DIFFRACTION (2.353 Å) | | Cite: | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
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6QO2
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 1 (1H-Indole-5-carboxamide) | | Descriptor: | 1~{H}-indole-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | Deposit date: | 2019-02-12 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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