7Q9M
 
 | | Beta-53 fab in complex with SARS-CoV-2 beta-Spike glycoprotein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-53 fab heavy chain, ... | | Authors: | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | | Deposit date: | 2021-11-12 | | Release date: | 2021-12-15 | | Last modified: | 2022-01-26 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
Cell Host Microbe, 30, 2022
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7Q9P
 | | Beta-06 fab in complex with SARS-CoV-2 beta-Spike glycoprotein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-06 heavy chain, ... | | Authors: | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | | Deposit date: | 2021-11-12 | | Release date: | 2021-12-15 | | Last modified: | 2022-01-26 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
Cell Host Microbe, 30, 2022
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7AVY
 | | MerTK kinase domain in complex with quinazoline-based inhbitor | | Descriptor: | N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine, SULFATE ION, Tyrosine-protein kinase Mer | | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | Deposit date: | 2020-11-06 | | Release date: | 2021-03-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
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7AVX
 | | MerTK kinase domain in complex with NPS-1034 | | Descriptor: | 1-(4-fluorophenyl)-N-[3-fluoro-4-[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide, Tyrosine-protein kinase Mer | | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | Deposit date: | 2020-11-06 | | Release date: | 2021-03-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
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7AW4
 | | MerTK kinase domain with type 3 inhibitor from a DNA-encoded library | | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-N-((R)-1-(((R)-3-(methylamino)-3-oxo-1-(4-(trifluoromethyl)phenyl)propyl)amino)-1-oxo-4-phenylbutan-2-yl)isoxazole-4-carboxamide, CHLORIDE ION, ... | | Authors: | Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | Deposit date: | 2020-11-06 | | Release date: | 2021-03-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
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1FKP
 | | CRYSTAL STRUCTURE OF NNRTI RESISTANT K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 RT, A-CHAIN, ... | | Authors: | Ren, J, Milton, J, Weaver, K.L, Short, S.A, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2000-08-10 | | Release date: | 2000-11-03 | | Last modified: | 2018-03-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase.
Structure Fold.Des., 8, 2000
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7AVE
 | | Perdeuterated refolded hen egg-white lysozyme at 100 K | | Descriptor: | ACETATE ION, Lysozyme C, NITRATE ION | | Authors: | Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Larsen, S, Mossou, E, Langkilde, A.E. | | Deposit date: | 2020-11-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme.
Iucrj, 8, 2021
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7AVF
 | | Triclinic hydrogenated hen egg-white lysozyme at 100 K (control) | | Descriptor: | ACETATE ION, Lysozyme, NITRATE ION | | Authors: | Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E. | | Deposit date: | 2020-11-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme.
Iucrj, 8, 2021
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7AVG
 | | Perdeuterated hen egg-white lysozyme at 100 K | | Descriptor: | ACETATE ION, Lysozyme, NITRATE ION | | Authors: | Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E. | | Deposit date: | 2020-11-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme.
Iucrj, 8, 2021
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6YE2
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1FTQ
 | | STRUCTURES OF GLYCOGEN PHOSPHORYLASE-INHIBITOR COMPLEXES AND THE IMPLICATIONS FOR STRUCTURE-BASED DRUG DESIGN | | Descriptor: | (5S,7R,8S,9S,10R)-3-amino-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione, GLYCOGEN PHOSPHORYLASE, INOSINIC ACID, ... | | Authors: | Watson, K.A, Tsitsanou, K.E, Gregoriou, M, Zographos, S.E, Skamnaki, V.T, Oikonomakos, N.G, Fleet, G.W, Johnson, L.N. | | Deposit date: | 2000-09-13 | | Release date: | 2000-10-04 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Kinetic and crystallographic studies of glucopyranose spirohydantoin and glucopyranosylamine analogs inhibitors of glycogen phosphorylase.
Proteins, 61, 2005
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8FRR
 | | Wild-type myocilin olfactomedin domain | | Descriptor: | CALCIUM ION, GLYCEROL, Myocilin, ... | | Authors: | Ma, M.T, Lieberman, R.L, Huard, D.J.E. | | Deposit date: | 2023-01-08 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Competition between inside-out unfolding and pathogenic aggregation in an amyloid-forming beta-propeller.
Nat Commun, 15, 2024
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6ZTW
 | | Crystal Structure of catalase HPII from Escherichia coli (serendipitously crystallized) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Grzechowiak, M, Sekula, B, Ruszkowski, M. | | Deposit date: | 2020-07-20 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Serendipitous crystallization of E. coli HPII catalase, a sequel to "the tale usually not told".
Acta Biochim.Pol., 68, 2021
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7A5P
 | | Human C Complex Spliceosome - Medium-resolution PERIPHERY | | Descriptor: | Cell division cycle 5-like protein, Crooked neck-like protein 1, Eukaryotic initiation factor 4A-III, ... | | Authors: | Bertram, K, Kastner, B. | | Deposit date: | 2020-08-21 | | Release date: | 2020-10-14 | | Method: | ELECTRON MICROSCOPY (5 Å) | | Cite: | Structural Insights into the Roles of Metazoan-Specific Splicing Factors in the Human Step 1 Spliceosome.
Mol.Cell, 80, 2020
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6YMT
 | | RNASE 3/1 version1 | | Descriptor: | GLYCEROL, RNase 3/1 version 1 | | Authors: | Fernandez-Millan, P, Prats-Ejarque, G, Vazquez-Monteagudo, S, Boix, E. | | Deposit date: | 2020-04-09 | | Release date: | 2021-07-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Exploring the RNase A scaffold to combine catalytic and antimicrobial activities. Structural characterization of RNase 3/1 chimeras.
Front Mol Biosci, 9, 2022
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5LY2
 | | JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Macrocyclic PEPTIDE Inhibitor CP2_R6Kme3 (13-mer) | | Descriptor: | CHLORIDE ION, CP2_R6Kme3, GLYCEROL, ... | | Authors: | Chowdhury, R, Madden, S.K, Hopkinson, R, Schofield, C.J. | | Deposit date: | 2016-09-23 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Highly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Nat Commun, 8, 2017
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7QT0
 | | Antibody FenAb136 - fentanyl complex | | Descriptor: | 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid, Antibody heavy chain, Antibody light chain | | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | | Deposit date: | 2022-01-14 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
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6Z9B
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8GH5
 | | Implementing Logic Gates in DNA Crystal Engineering | | Descriptor: | DNA (5'-D(*AP*GP*AP*CP*G)-3'), DNA (5'-D(*CP*TP*AP*CP*G)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*A)-3'), ... | | Authors: | Zhang, C, Paluzzi, V.E, Sha, R, Jonoska, N, Mao, C. | | Deposit date: | 2023-03-09 | | Release date: | 2023-06-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Implementing Logic Gates by DNA Crystal Engineering.
Adv Mater, 35, 2023
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7R6X
 | | SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2E12 Fab, S309 Fab, and S304 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Monoclonal antibody S2E12 Fab heavy chain, ... | | Authors: | Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M. | | Deposit date: | 2021-06-23 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
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7R6W
 | | SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2X35 Fab and S309 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | Authors: | Snell, G, Czudnochowski, N, Hernandez, P, Nix, J.C, Croll, T.I, Corti, D, Cameroni, E, Pinto, D, Beltramello, M. | | Deposit date: | 2021-06-23 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
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7RA4
 | | Crystal structure of Neisseria gonorrhoeae serine acetyltransferase (CysE) in complex with serine | | Descriptor: | SERINE, Serine acetyltransferase | | Authors: | Hicks, J.L, Oldham, K.E, Prentice, E.J, Summers, E.L. | | Deposit date: | 2021-06-30 | | Release date: | 2021-08-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Serine acetyltransferase from Neisseria gonorrhoeae; structural and biochemical basis of inhibition.
Biochem.J., 479, 2022
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5N8J
 | | CRYSTAL STRUCTURE OF STREPTAVIDIN WITH PEPTIDE D-amino acid containing peptide GyGlanvdessG | | Descriptor: | GLY-DTY-GLY-DLE-DAL-DSG-DVA-DAS-DGL-DSN-DSN-GLY, ISOPROPYL ALCOHOL, Streptavidin | | Authors: | Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J. | | Deposit date: | 2017-02-23 | | Release date: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Stepwise Evolution Improves Identification of Diverse Peptides Binding to a Protein Target.
Sci Rep, 7, 2017
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6YWK
 | | Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with HEPES | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, ... | | Authors: | Ni, X, Schroeder, M, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-29 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
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7RBX
 | | Crystal structure of isocitrate lyase and phosphorylmutase:isocitrate lyase from Brucella melitensis biovar Abortus 2308 bound to itaconic acid | | Descriptor: | 1,2-ETHANEDIOL, 2-methylidenebutanedioic acid, Isocitrase, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease, Edwards, T.E, Abendroth, J, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2021-07-06 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Aconitate decarboxylase 1 participates in the control of pulmonary Brucella infection in mice.
Plos Pathog., 17, 2021
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