3UPT
 
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4G5P
 | | Crystal structure of EGFR kinase T790M in complex with BIBW2992 | | Descriptor: | Epidermal growth factor receptor, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide | | Authors: | Solca, F, Dahl, G, Zoephel, A, Bader, G, Sanderson, M, Klein, C, Kraemer, O, Himmelsbach, F, Haaksma, E, Adolf, G.R. | | Deposit date: | 2012-07-18 | | Release date: | 2012-08-29 | | Last modified: | 2012-10-31 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | Target Binding Properties and Cellular Activity of Afatinib (BIBW 2992), an Irreversible ErbB Family Blocker.
J.Pharmacol.Exp.Ther., 343, 2012
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4FYG
 | | Structural basis for substrate recognition by a novel Legionella phosphoinositide phosphatase | | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate, SidF, inhibitor of growth family, ... | | Authors: | Hsu, F.S, Zhu, W, Brennan, L, Tao, L, Luo, Z.Q, Mao, Y. | | Deposit date: | 2012-07-04 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.822 Å) | | Cite: | Structural basis for substrate recognition by a unique Legionella phosphoinositide phosphatase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4G68
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1J53
 | | Structure of the N-terminal Exonuclease Domain of the Epsilon Subunit of E.coli DNA Polymerase III at pH 8.5 | | Descriptor: | 1,2-ETHANEDIOL, DNA polymerase III, epsilon chain, ... | | Authors: | Hamdan, S, Carr, P.D, Brown, S.E, Ollis, D.L, Dixon, N.E. | | Deposit date: | 2002-01-22 | | Release date: | 2002-10-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Proofreading during Replication of the Escherichia coli Chromosome
Structure, 10, 2002
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3UMG
 | | Crystal Structure of the Defluorinating L-2-Haloacid Dehalogenase Rha0230 | | Descriptor: | CHLORIDE ION, Haloacid dehalogenase | | Authors: | Chan, P.W.Y, Savchenko, A, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-11-13 | | Release date: | 2012-11-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural adaptations of L-2-haloacid dehalogenases that enable hydrolytic defluorination
To be Published
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4FZA
 | | Crystal structure of MST4-MO25 complex | | Descriptor: | Calcium-binding protein 39, GLYCEROL, Serine/threonine-protein kinase MST4 | | Authors: | Shi, Z.B, Zhou, Z.C. | | Deposit date: | 2012-07-06 | | Release date: | 2013-03-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structure of the MST4 in Complex with MO25 Provides Insights into Its Activation Mechanism
Structure, 21, 2013
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4WF2
 | | Structure of E. coli BirA G142A bound to biotinol-5'-AMP | | Descriptor: | ((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL 5-((3AS,4S,6AR)-2-OXO-HEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL)PENTYL HYDROGEN PHOSPHATE, Bifunctional ligase/repressor BirA | | Authors: | Eginton, C, Beckett, D, Wade, H. | | Deposit date: | 2014-09-11 | | Release date: | 2014-10-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Allosteric Coupling via Distant Disorder-to-Order Transitions.
J.Mol.Biol., 427, 2015
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3UNB
 | | Mouse constitutive 20S proteasome in complex with PR-957 | | Descriptor: | 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | | Authors: | Huber, E, Basler, M, Schwab, R, Heinemeyer, W, Kirk, C, Groettrup, M, Groll, M. | | Deposit date: | 2011-11-15 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Immuno- and constitutive proteasome crystal structures reveal differences in substrate and inhibitor specificity.
Cell(Cambridge,Mass.), 148, 2012
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4WGJ
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6XRN
 | | Crystal structure of human PI3K-gamma in complex with Compound 17 | | Descriptor: | 2-amino-5-{2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-N-(trans-3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Walker, N.P, Jeffrey, J.L. | | Deposit date: | 2020-07-13 | | Release date: | 2021-11-03 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Design, Synthesis, and Structure-Activity Relationship Optimization of Pyrazolopyrimidine Amide Inhibitors of Phosphoinositide 3-Kinase gamma (PI3K gamma ).
J.Med.Chem., 65, 2022
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4GAF
 | | Crystal structure of EBI-005, a chimera of human IL-1beta and IL-1Ra, bound to human Interleukin-1 receptor type 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EBI-005, Interleukin-1 receptor type 1, ... | | Authors: | Hou, J, Townson, S.A, Kovalchin, J.T, Masci, A, Kiner, O, Shu, Y, King, B, Thomas, C, Garcia, K.C, Furfine, E.S, Barnes, T.M. | | Deposit date: | 2012-07-25 | | Release date: | 2013-02-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Design of a superior cytokine antagonist for topical ophthalmic use.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3UT3
 | | A novel PAI-I inhibitor and its structural mechanism | | Descriptor: | 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione, Plasminogen activator inhibitor 1 | | Authors: | Lin, Z.H, Hong, Z.B, Shi, X.L, Hu, L.H, Andreasen, P.A, Huang, M.D. | | Deposit date: | 2011-11-25 | | Release date: | 2013-02-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | A novel PAI-I inhibitor and its structural mechanism
To be Published
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8F6L
 | | anti-BTLA monoclonal antibody h25F7 in complex with BTLA | | Descriptor: | B- and T-lymphocyte attenuator, h25F7 Fab heavy chain, h25F7 Fab light chain | | Authors: | Hendle, J, Atwell, S, Lieu, R, Hickey, M, Weichert, K. | | Deposit date: | 2022-11-16 | | Release date: | 2023-05-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Epitope topography of agonist antibodies to the checkpoint inhibitory receptor BTLA.
Structure, 31, 2023
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4G1L
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3UTW
 | | Crystal structure of bacteriorhodopsin mutant P50A/Y57F | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Bacteriorhodopsin, RETINAL, ... | | Authors: | Cao, Z, Bowie, J.U. | | Deposit date: | 2011-11-27 | | Release date: | 2012-05-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Shifting hydrogen bonds may produce flexible transmembrane helices.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4G1W
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3UT4
 | | Structural view of a non Pfam singleton and crystal packing analysis | | Descriptor: | Putative uncharacterized protein | | Authors: | Cheng, C, Shaw, N, Zhang, X, Zhang, M, Ding, W, Wang, B.C, Liu, Z.J. | | Deposit date: | 2011-11-25 | | Release date: | 2012-03-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structural view of a non pfam singleton and crystal packing analysis.
Plos One, 7, 2012
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4GBD
 | | Crystal Structure Of Adenosine Deaminase From Pseudomonas Aeruginosa Pao1 with bound Zn and methylthio-coformycin | | Descriptor: | (8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, PHOSPHATE ION, Putative uncharacterized protein, ... | | Authors: | Ho, M, Guan, R, Almo, S.C, Schramm, V.L. | | Deposit date: | 2012-07-27 | | Release date: | 2013-06-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.975 Å) | | Cite: | Methylthioadenosine deaminase in an alternative quorum sensing pathway in Pseudomonas aeruginosa.
Biochemistry, 51, 2012
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3UTC
 | | Ec_IspH in complex with (E)-4-hydroxybut-3-enyl diphosphate | | Descriptor: | (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Li, K, Schulz, C, Oldfield, E, Groll, M. | | Deposit date: | 2011-11-25 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
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4G22
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4GBV
 | | Crystal Structure of AMP complexes of Porcine Liver Fructose-1,6-bisphosphatase Mutant A54L with 1,2-ethanediol as Cryo-protectant | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | | Authors: | Honzatko, R.B, Gao, Y. | | Deposit date: | 2012-07-28 | | Release date: | 2013-08-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Water Structure of the Central Hydrophobic Cavity of Mammalian Fructose-1,6-bisphosphatase: a Potential Thermodynamic Determinant of Allowed Quaternary States
To be published
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3UV5
 | | Crystal Structure of the tandem bromodomains of human Transcription initiation factor TFIID subunit 1 (TAF1) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcription initiation factor TFIID subunit 1 | | Authors: | Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-11-29 | | Release date: | 2012-01-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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3UTN
 | | Crystal structure of Tum1 protein from Saccharomyces cerevisiae | | Descriptor: | DIMETHYL SULFOXIDE, SULFATE ION, Thiosulfate sulfurtransferase TUM1 | | Authors: | Qiu, R, Wang, F, Liu, M, Ji, C, Gong, W. | | Deposit date: | 2011-11-26 | | Release date: | 2012-10-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the Tum1 protein from the yeast Saccharomyces cerevisiae.
Protein Pept.Lett., 19, 2012
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4G35
 | | Mcl-1 in complex with a biphenyl cross-linked Noxa peptide. | | Descriptor: | 4,4'-bis(bromomethyl)biphenyl, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog, Noxa BH3 peptide (cysteine-mediated cross-linked) | | Authors: | Drake, E, Edwardraja, S, Lin, Q, Gulick, A.M. | | Deposit date: | 2012-07-13 | | Release date: | 2012-12-05 | | Last modified: | 2013-06-26 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rational design of proteolytically stable, cell-permeable peptide-based selective Mcl-1 inhibitors.
J.Am.Chem.Soc., 134, 2012
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