7N22
| NMR structure of AnIB[Y(SO3)16Y]-NH2 | Descriptor: | Alpha-conotoxin AnIB | Authors: | Conibear, A.C, Rosengren, K.J, Lee, H.S. | Deposit date: | 2021-05-28 | Release date: | 2021-11-17 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding. Rsc Med Chem, 12, 2021
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7N23
| NMR structure of AnIB[Y(SO3)16Y]-OH | Descriptor: | Alpha-conotoxin AnIB | Authors: | Conibear, A.C, Rosengren, K.J, Lee, H.S. | Deposit date: | 2021-05-28 | Release date: | 2021-11-10 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding. Rsc Med Chem, 12, 2021
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5Z20
| The ternary structure of D-lactate dehydrogenase from Pseudomonas aeruginosa with NADH and oxamate | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, D-lactate dehydrogenase (Fermentative), DI(HYDROXYETHYL)ETHER, ... | Authors: | Furukawa, N, Miyanaga, A, Nakajima, M, Taguchi, H. | Deposit date: | 2017-12-28 | Release date: | 2018-09-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis of Sequential Allosteric Transitions in Tetrameric d-Lactate Dehydrogenases from Three Gram-Negative Bacteria. Biochemistry, 57, 2018
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4Z1M
| Bovine F1-ATPase inhibited by three copies of the inhibitor protein IF1 crystallised in the presence of thiophosphate. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase subunit alpha, ... | Authors: | Bason, J.V, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. | Deposit date: | 2015-03-27 | Release date: | 2015-05-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | How release of phosphate from mammalian F1-ATPase generates a rotary substep. Proc.Natl.Acad.Sci.USA, 112, 2015
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6HCK
| The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with dipeptide Leu-Leu | Descriptor: | LEUCINE, Listeriolysin regulatory protein, SODIUM ION | Authors: | Grundstrom, C, Oelker, M, Krypotou, E, Scortti, M, Luisi, B.F, Vazquez-Boland, J, Sauer-Eriksson, A.E. | Deposit date: | 2018-08-15 | Release date: | 2019-02-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Control of Bacterial Virulence through the Peptide Signature of the Habitat. Cell Rep, 26, 2019
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7Y72
| SARS-CoV-2 spike glycoprotein trimer complexed with Fab fragment of anti-RBD antibody E7 (focused refinement on Fab-RBD interface) | Descriptor: | Fab E7 heavy chain, Fab E7 light chain, Spike glycoprotein | Authors: | Chia, W.N, Tan, C.W, Tan, A.W.K, Young, B, Starr, T.N, Lopez, E, Fibriansah, G, Barr, J, Cheng, S, Yeoh, A.Y.Y, Yap, W.C, Lim, B.L, Ng, T.S, Sia, W.R, Zhu, F, Chen, S, Zhang, J, Greaney, A.J, Chen, M, Au, G.G, Paradkar, P, Peiris, M, Chung, A.W, Bloom, J.D, Lye, D, Lok, S.M, Wang, L.F. | Deposit date: | 2022-06-21 | Release date: | 2023-08-02 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (4.03 Å) | Cite: | Potent pan huACE2-dependent sarbecovirus neutralizing monoclonal antibodies isolated from a BNT162b2-vaccinated SARS survivor. Sci Adv, 9, 2023
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7N0T
| NMR structure of EpI[Y(SO)315Y]-OH | Descriptor: | Alpha-conotoxin EpI | Authors: | Conibear, A.C, Rosengren, K.J, Lee, H.S. | Deposit date: | 2021-05-26 | Release date: | 2021-11-10 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding. Rsc Med Chem, 12, 2021
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6HCS
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7N20
| NMR structure of native AnIB | Descriptor: | Alpha-conotoxin AnIB | Authors: | Conibear, A.C, Rosengren, K.J, Lee, H.S. | Deposit date: | 2021-05-28 | Release date: | 2021-11-17 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding. Rsc Med Chem, 12, 2021
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4ZN9
| Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS) | Descriptor: | Estrogen receptor, Nuclear receptor-interacting peptide, cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-05-04 | Release date: | 2015-09-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.215 Å) | Cite: | Development of selective estrogen receptor modulator (SERM)-like activity through an indirect mechanism of estrogen receptor antagonism: defining the binding mode of 7-oxabicyclo[2.2.1]hept-5-ene scaffold core ligands. Chemmedchem, 7, 2012
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5HI0
| The Substrate Binding Mode and Chemical Basis of a Reaction Specificity Switch in Oxalate Decarboxylase | Descriptor: | COBALT (II) ION, OXALATE ION, Oxalate decarboxylase OxdC, ... | Authors: | Zhu, W, Easthon, L.M, Reinhardt, L.A, Tu, C, Cohen, S.E, Silverman, D.N, Allen, K.N, Richards, N.G.J. | Deposit date: | 2016-01-11 | Release date: | 2016-04-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | Substrate Binding Mode and Molecular Basis of a Specificity Switch in Oxalate Decarboxylase. Biochemistry, 55, 2016
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5A17
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8RPP
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7UE9
| Structure of anti-C3d Fab(3d8b) in complex with C3d | Descriptor: | Complement C3dg fragment, Fab heavy chain, Fab light chain, ... | Authors: | Olland, A.M, White, A, Suto, R.K. | Deposit date: | 2022-03-21 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Development and Optimization of Bifunctional Fusion Proteins to Locally Modulate Complement Activation in Diseased Tissue. Front Immunol, 13, 2022
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5HZQ
| Crystal structure of cellular retinoic acid binding protein 2 (CRABP2)-aryl fluorosulfate covalent conjugate | Descriptor: | 4'-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)oxy][1,1'-biphenyl]-4-yl sulfurofluoridate, Cellular retinoic acid-binding protein 2, GLYCEROL | Authors: | Chen, W, Mortenson, D.E, Wilson, I.A, Kelly, J.W. | Deposit date: | 2016-02-02 | Release date: | 2016-06-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Arylfluorosulfates Inactivate Intracellular Lipid Binding Protein(s) through Chemoselective SuFEx Reaction with a Binding Site Tyr Residue. J.Am.Chem.Soc., 138, 2016
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7UWR
| KSQ+AT from first module of the pikromycin synthase | Descriptor: | Narbonolide/10-deoxymethynolide synthase PikA1, modules 1 and 2 | Authors: | Keatinge-Clay, A.T, Dickinson, M.S, Miyazawa, T, McCool, R.S. | Deposit date: | 2022-05-03 | Release date: | 2022-06-08 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.61 Å) | Cite: | Priming enzymes from the pikromycin synthase reveal how assembly-line ketosynthases catalyze carbon-carbon chemistry. Structure, 30, 2022
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5Z5H
| Crystal structure of a thermostable glycoside hydrolase family 43 {beta}-1,4-xylosidase from Geobacillus thermoleovorans IT-08 in complex with D-xylose | Descriptor: | Beta-xylosidase, CALCIUM ION, alpha-D-xylopyranose | Authors: | Rohman, A, van Oosterwijk, N, Puspaningsih, N.N.T, Dijkstra, B.W. | Deposit date: | 2018-01-18 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of product inhibition by arabinose and xylose of the thermostable GH43 beta-1,4-xylosidase from Geobacillus thermoleovorans IT-08. PLoS ONE, 13, 2018
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7Y71
| SARS-CoV-2 spike glycoprotein trimer complexed with Fab fragment of anti-RBD antibody E7 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab E7 heavy chain, ... | Authors: | Chia, W.N, Tan, C.W, Tan, A.W.K, Young, B, Starr, T.N, Lopez, E, Fibriansah, G, Barr, J, Cheng, S, Yeoh, A.Y.Y, Yap, W.C, Lim, B.L, Ng, T.S, Sia, W.R, Zhu, F, Chen, S, Zhang, J, Greaney, A.J, Chen, M, Au, G.G, Paradkar, P, Peiris, M, Chung, A.W, Bloom, J.D, Lye, D, Lok, S.M, Wang, L.F. | Deposit date: | 2022-06-21 | Release date: | 2023-08-02 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Potent pan huACE2-dependent sarbecovirus neutralizing monoclonal antibodies isolated from a BNT162b2-vaccinated SARS survivor. Sci Adv, 9, 2023
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5HZZ
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6BSK
| Human PIM1 kinase in complex with compound 12b | Descriptor: | 1,2-ETHANEDIOL, 4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid, SULFATE ION, ... | Authors: | Ferguson, A.D. | Deposit date: | 2017-12-03 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.573 Å) | Cite: | Discovery of 2,6-disubstituted pyrazine derivatives as inhibitors of CK2 and PIM kinases. Bioorg. Med. Chem. Lett., 28, 2018
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7B9Y
| Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 64a | Descriptor: | 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,24(28),25-hexaene-3,10-dione, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F. | Deposit date: | 2020-12-15 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors. J.Med.Chem., 64, 2021
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5V3M
| mouseZFP568-ZnF1-11 in complex with DNA | Descriptor: | DNA (28-MER), ZINC ION, Zinc finger protein 568 | Authors: | Patel, A, Cheng, X. | Deposit date: | 2017-03-07 | Release date: | 2018-03-07 | Last modified: | 2019-09-18 | Method: | X-RAY DIFFRACTION (2.091 Å) | Cite: | DNA Conformation Induces Adaptable Binding by Tandem Zinc Finger Proteins. Cell, 173, 2018
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5HLT
| Crystal structure of pyrene- and phenanthrene-modified DNA in complex with the BpuJ1 endonuclease binding domain | Descriptor: | DNA (5'-D(*GP*YPY*TP*AP*CP*CP*CP*GP*TP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*AP*CP*GP*GP*GP*TP*AP*YPY*C)-3'), Restriction endonuclease R.BpuJI | Authors: | Probst, M, Aeschimann, W, Chau, T.-T.-H, Langenegger, S.M, Stocker, A, Haener, R. | Deposit date: | 2016-01-15 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.672 Å) | Cite: | Structural insight into DNA-assembled oligochromophores: crystallographic analysis of pyrene- and phenanthrene-modified DNA in complex with BpuJI endonuclease. Nucleic Acids Res., 44, 2016
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6E05
| Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine triphosphate solved by precipitant-ligand exchange (crystals grown in sulfate precipitant) | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | Deposit date: | 2018-07-06 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase. Acta Crystallogr D Struct Biol, 74, 2018
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7BA0
| Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 63 | Descriptor: | 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,28-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.2.2.113,17.04,9]nonacosa-1(26),13(29),14,16,24,27-hexaene-3,10-dione, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Bauder, M, Meyners, C, Purder, P, Merz, S, Voll, A, Heymann, T, Hausch, F. | Deposit date: | 2020-12-15 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors. J.Med.Chem., 64, 2021
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