5K75
| IRAK4 in complex with Compound 1 | Descriptor: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine | Authors: | Ferguson, A.D. | Deposit date: | 2016-05-25 | Release date: | 2017-12-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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5KDO
| Heterotrimeric complex of the 4 alanine insertion variant of the Gi alpha1 subunit and the Gbeta1-Ggamma1 | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, ... | Authors: | Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. | Deposit date: | 2016-06-08 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Conserved Hydrophobic Core in G alpha i1 Regulates G Protein Activation and Release from Activated Receptor. J.Biol.Chem., 291, 2016
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5KDL
| Crystal structure of the 4 alanine insertion variant of the Gi alpha1 subunit bound to GTPgammaS | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION | Authors: | Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. | Deposit date: | 2016-06-08 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.665 Å) | Cite: | A Conserved Hydrophobic Core in G alpha i1 Regulates G Protein Activation and Release from Activated Receptor. J.Biol.Chem., 291, 2016
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5KGE
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5KGI
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5KGD
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5KWH
| Crystal structure of CK2 | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | Authors: | Ferguson, A.D. | Deposit date: | 2016-07-18 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal structure of CK2 To Be Published
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5KU8
| Crystal structure of CK2 | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | Authors: | Ferguson, A.D, Dowling, J. | Deposit date: | 2016-07-13 | Release date: | 2017-11-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystal structure of CK2 Not Published
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5K19
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5KO3
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2L8T
| Staphylococcus aureus pathogenicity island 1 protein gp6, an internal scaffold in size determination | Descriptor: | Transposon Tn557 toxic shock syndrome toxin-1 | Authors: | Dearborn, A.D, Spilman, M.S, Damle, P.K, Chang, J.R, Monroe, E.B, Saad, J.S, Christie, G.E, Dokland, T. | Deposit date: | 2011-01-24 | Release date: | 2011-08-17 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The Staphylococcus aureus Pathogenicity Island 1 Protein gp6 Functions as an Internal Scaffold during Capsid Size Determination. J.Mol.Biol., 412, 2011
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2GZM
| Crystal Structure of the Glutamate Racemase from Bacillus anthracis | Descriptor: | D-GLUTAMIC ACID, Glutamate racemase | Authors: | May, M, Santarsiero, B.D, Johnson, M.E, Mesecar, A.D. | Deposit date: | 2006-05-11 | Release date: | 2007-05-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural and functional analysis of two glutamate racemase isozymes from Bacillus anthracis and implications for inhibitor design. J.Mol.Biol., 371, 2007
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2LS5
| Solution structure of a putative protein disulfide isomerase from Bacteroides thetaiotaomicron | Descriptor: | Uncharacterized protein | Authors: | Harris, R, Bandaranayake, A.D, Banu, R, Bonanno, J.B, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chaparro, R, Evans, B, Garforth, S, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Lim, S, Love, J, Matikainen, B, Patel, H, Seidel, R.D, Smith, B, Stead, M, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-04-20 | Release date: | 2012-05-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of a putative protein disulfide isomerase from Bacteroides thetaiotaomicron To be Published
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2JMR
| NMR structure of the E. coli type 1 pilus subunit FimF | Descriptor: | fimF | Authors: | Gossert, A.D, Bettendorff, P, Puorger, C, Vetsch, M, Herrmann, T, Fiorito, F, Hiller, S, Glockshuber, R, Wuthrich, K. | Deposit date: | 2006-11-29 | Release date: | 2007-10-30 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | NMR structure of the Escherichia coli type 1 pilus subunit FimF and its interactions with other pilus subunits. J.Mol.Biol., 375, 2008
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2JQM
| Yellow Fever Envelope Protein Domain III NMR Structure (S288-K398) | Descriptor: | Envelope protein E | Authors: | Volk, D.E, Gandham, S.H, May, F.J, Anderson, A, Barrett, A.D, Gorenstein, D.G. | Deposit date: | 2007-06-03 | Release date: | 2008-06-10 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Structure of yellow fever virus envelope protein domain III. Virology, 394, 2009
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2LRN
| Solution structure of a thiol:disulfide interchange protein from Bacteroides sp. | Descriptor: | Thiol:disulfide interchange protein | Authors: | Harris, R, Bandaranayake, A.D, Banu, R, Bonanno, J.B, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chaparro, R, Evans, B, Garforth, S, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Lim, S, Love, J, Matikainen, B, Patel, H, Seidel, R.D, Smith, B, Stead, M, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-04-10 | Release date: | 2012-04-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of a thiol:disulfide interchange protein from Bacteroides sp. To be Published
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2LST
| Solution structure of a thioredoxin from Thermus thermophilus | Descriptor: | Thioredoxin | Authors: | Harris, R, Bandaranayake, A.D, Banu, R, Bonanno, J.B, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chaparro, R, Evans, B, Garforth, S, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Lim, S, Love, J, Matikainen, B, Patel, H, Seidel, R.D, Smith, B, Stead, M, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-05-04 | Release date: | 2012-05-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of a thioredoxin from Thermus thermophilus To be Published
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2LRT
| Solution structure of the uncharacterized thioredoxin-like protein BVU_1432 from Bacteroides vulgatus | Descriptor: | Uncharacterized protein | Authors: | Harris, R, Bandaranayake, A.D, Banu, R, Bonanno, J.B, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chaparro, R, Evans, B, Garforth, S, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Lim, S, Love, J, Matikainen, B, Patel, H, Seidel, R.D, Smith, B, Stead, M, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-04-13 | Release date: | 2012-04-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of the uncharacterized thioredoxin-like protein BVU_1432 from Bacteroides vulgatus To be Published
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2LS8
| Solution structure of human C-type lectin domain family 4 member D | Descriptor: | C-type lectin domain family 4 member D | Authors: | Harris, R, Gaudette, J, Bandaranayake, A.D, Banu, R, Bonanno, J.B, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chaparro, R, Evans, B, Garforth, S, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Lim, S, Love, J, Matikainen, B, Patel, H, Seidel, R.D, Smith, B, Stead, M, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-04-23 | Release date: | 2012-05-09 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution structure of human C-type lectin domain family 4 member D To be Published
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8Q7J
| Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability | Descriptor: | CYCLOSPORIN A | Authors: | Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D. | Deposit date: | 2023-08-16 | Release date: | 2023-12-06 | Last modified: | 2024-01-03 | Method: | SOLUTION NMR | Cite: | Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability. J.Am.Chem.Soc., 145, 2023
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8QAQ
| Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability. Conformation 1 of omphalotin A in apolar solvents. | Descriptor: | TRP-MVA-ILE-MVA-MVA-SAR-MVA-IML-SAR-VAL-IML-SAR | Authors: | Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D. | Deposit date: | 2023-08-23 | Release date: | 2023-12-06 | Last modified: | 2024-01-03 | Method: | SOLUTION NMR | Cite: | Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability. J.Am.Chem.Soc., 145, 2023
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8QAS
| Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability. NMR structure of Omphalotin A in methanol / water indoleOut conformation. | Descriptor: | TRP-MVA-ILE-MVA-MVA-SAR-MVA-IML-SAR-VAL-IML-SAR | Authors: | Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D. | Deposit date: | 2023-08-23 | Release date: | 2023-12-06 | Last modified: | 2024-01-03 | Method: | SOLUTION NMR | Cite: | Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability. J.Am.Chem.Soc., 145, 2023
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8QBP
| Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability. NMR structure of Omphalotin A in methanol / water indoleOut conformation. | Descriptor: | TRP-MVA-ILE-MVA-MVA-SAR-MVA-IML-SAR-VAL-IML-SAR | Authors: | Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D. | Deposit date: | 2023-08-25 | Release date: | 2023-12-13 | Last modified: | 2024-01-03 | Method: | SOLUTION NMR | Cite: | Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability. J.Am.Chem.Soc., 145, 2023
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8QSO
| Crystal structure of human Mcl-1 in complex with compound 1 | Descriptor: | (13S,16R,19S)-16-benzyl-43-ethoxy-N-methyl-7,11,14,17-tetraoxo-13-phenyl-5-oxa-2,8,12,15,18-pentaaza-1(1,4),4(1,2)-dibenzena-9(1,4)-cyclohexanacycloicosaphane-19-carboxamide, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Hekking, K.F.W, Gremmen, S, Maroto, S, Keefe, A.D, Zhang, Y. | Deposit date: | 2023-10-10 | Release date: | 2024-02-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.106 Å) | Cite: | Development of Potent Mcl-1 Inhibitors: Structural Investigations on Macrocycles Originating from a DNA-Encoded Chemical Library Screen. J.Med.Chem., 67, 2024
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1BXK
| DTDP-GLUCOSE 4,6-DEHYDRATASE FROM E. COLI | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (DTDP-GLUCOSE 4,6-DEHYDRATASE) | Authors: | Thoden, J.B, Hegeman, A.D, Frey, P.A, Holden, H.M. | Deposit date: | 1998-10-05 | Release date: | 1998-10-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Structure of Dtdp-Glucose 4,6-Dehydratase from E. Coli Protein Sci.
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