6N3P
 
 | | Crosslinked AcpP=FabZ complex from E. coli Type II FAS | | Descriptor: | 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ, Acyl carrier protein, N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide | | Authors: | Smith, J.L, Dodge, G.J. | | Deposit date: | 2018-11-15 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and dynamical rationale for fatty acid unsaturation inEscherichia coli.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6MOE
 | | Monomeric DARPin E2 complex with EpoR | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E2 DARPin, ... | | Authors: | Jude, K.M, Mohan, K, Garcia, K.C. | | Deposit date: | 2018-10-04 | | Release date: | 2019-06-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.091 Å) | | Cite: | Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019
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6N99
 | | Xylose isomerase 2F1 variant from Streptomyces sp. F-1 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Miyamoto, R.Y, Vieira, P.S, Murakami, M.T, Zanphorlin, L.M. | | Deposit date: | 2018-12-01 | | Release date: | 2019-12-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of a novel xylose isomerase from Streptomyces sp. F-1 revealed the presence of unique features that differ from conventional classes.
Biochim Biophys Acta Gen Subj, 1864, 2020
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6MNH
 | | ULK1 Unc-51 like autophagy activating kinase in complex with inhibitor BTC | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide, ... | | Authors: | Hendle, J, Sauder, J.M, Hickey, M.J, Rauch, C.T, Maletic, M, Schwinn, K.D. | | Deposit date: | 2018-10-01 | | Release date: | 2019-03-27 | | Last modified: | 2019-11-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Idea2Data: Toward a New Paradigm for Drug Discovery.
Acs Med.Chem.Lett., 10, 2019
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6MNS
 | | Rhesus macaque anti-HIV V3 antibody DH753 with gp120 V3 ZAM18 peptide | | Descriptor: | Ab DH753 heavy chain Fab fragment, Ab DH753 light chain, Envelope glylcoprotein, ... | | Authors: | Nicely, N.I. | | Deposit date: | 2018-10-02 | | Release date: | 2019-07-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Difficult-to-neutralize global HIV-1 isolates are neutralized by antibodies targeting open envelope conformations.
Nat Commun, 10, 2019
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5ELO
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6MOL
 | | Monoextended DARPin M_R12 complex with EpoR | | Descriptor: | Erythropoietin receptor, GLYCEROL, Monoextended DARPin R12 (M_R12) | | Authors: | Jude, K.M, Mohan, K, Garcia, K.C, Guo, Y. | | Deposit date: | 2018-10-04 | | Release date: | 2019-06-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.163 Å) | | Cite: | Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019
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5EK9
 | | Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline inhibitor | | Descriptor: | Bromodomain-containing protein 2, propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate | | Authors: | Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Picaud, S, Fedorov, O, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-03 | | Release date: | 2016-11-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.
Bioorg. Med. Chem., 26, 2018
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6N98
 | | Xylose isomerase 1F1 variant from Streptomyces sp. F-1 | | Descriptor: | MAGNESIUM ION, SULFATE ION, Xylose isomerase | | Authors: | Miyamoto, R.Y, Vieira, P.S, Murakami, M.T, Zanphorlin, L.M. | | Deposit date: | 2018-12-01 | | Release date: | 2019-12-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of a novel xylose isomerase from Streptomyces sp. F-1 revealed the presence of unique features that differ from conventional classes.
Biochim Biophys Acta Gen Subj, 1864, 2020
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6MOF
 | | Monomeric DARPin G2 complex with EpoR | | Descriptor: | 1,2-ETHANEDIOL, Erythropoietin receptor, G2 DARPin | | Authors: | Jude, K.M, Mohan, K, Garcia, K.C. | | Deposit date: | 2018-10-04 | | Release date: | 2019-06-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.894 Å) | | Cite: | Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019
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6N9T
 | | Structure of a peptide-based photo-affinity cross-linker with Herceptin Fc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin G1 FC, ... | | Authors: | Sadowsky, J, Ultsch, M, Vance, N, Wang, W. | | Deposit date: | 2018-12-04 | | Release date: | 2019-01-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.576 Å) | | Cite: | Development, Optimization, and Structural Characterization of an Efficient Peptide-Based Photoaffinity Cross-Linking Reaction for Generation of Homogeneous Conjugates from Wild-Type Antibodies.
Bioconjug. Chem., 30, 2019
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6MTX
 | | Crystal structure of a human anti-ZIKV-DENV neutralizing antibody MZ1 isolated following ZPIV vaccination | | Descriptor: | GLYCEROL, MZ1 Heavy Chain, MZ1 Light Chain | | Authors: | Sankhala, R.S, Dussupt, V, Donofrio, G, Choe, M, Modjarrad, K, Michael, N.L, Krebs, S.J, Joyce, M.G. | | Deposit date: | 2018-10-22 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.051 Å) | | Cite: | Potent Zika and dengue cross-neutralizing antibodies induced by Zika vaccination in a dengue-experienced donor.
Nat Med, 26, 2020
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6MYN
 | | Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to inhibitor R7 | | Descriptor: | (5s,7s)-9-fluoro-10-[(3R)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-yn-1-yl]-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION | | Authors: | Harris, S.F, Smith, M, Barker, J. | | Deposit date: | 2018-11-01 | | Release date: | 2019-08-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.744 Å) | | Cite: | Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1).
Acs Med.Chem.Lett., 10, 2019
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2ZKZ
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6MK7
 | | Solution structure of the large extracellular loop of FtsX in Streptococcus pneumoniae | | Descriptor: | Cell division protein FtsX | | Authors: | Edmonds, K.A, Fu, Y, Wu, H, Rued, B.E, Bruce, K.E, Winkler, M.E, Giedroc, D.P. | | Deposit date: | 2018-09-25 | | Release date: | 2019-02-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the Large Extracellular Loop of FtsX and Its Interaction with the Essential Peptidoglycan Hydrolase PcsB in Streptococcus pneumoniae.
MBio, 10, 2019
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6NIP
 | | Crystal structure of a human anti-ZIKV-DENV neutralizing antibody MZ1 in complex with ZIKV E glycoprotein | | Descriptor: | Envelope protein E, MZ1 Heavy chain, MZ1 Light Chain | | Authors: | Sankhala, R.S, Dussupt, V, Donofrio, G, Choe, M, Modjarrad, K, Michael, N.L, Krebs, S.J, Joyce, M.G. | | Deposit date: | 2018-12-31 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (4.16 Å) | | Cite: | Potent Zika and dengue cross-neutralizing antibodies induced by Zika vaccination in a dengue-experienced donor.
Nat Med, 26, 2020
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5F14
 | | Structure of native hen egg-white lysozyme | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | McGlone, C, Nix, J.C, Page, R.C. | | Deposit date: | 2015-11-30 | | Release date: | 2016-02-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.148 Å) | | Cite: | Investigating the Impact of Polymer Functional Groups on the Stability and Activity of Lysozyme-Polymer Conjugates.
Biomacromolecules, 17, 2016
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6NIT
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6NJH
 | | Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with T-48 | | Descriptor: | 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide, MAGNESIUM ION, ZINC ION, ... | | Authors: | Fox III, D, Fairman, J.W, Gurney, M.E. | | Deposit date: | 2019-01-03 | | Release date: | 2019-05-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62, 2019
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6NPE
 | | C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide | | Descriptor: | 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, NONAETHYLENE GLYCOL, ... | | Authors: | campobasso, N. | | Deposit date: | 2019-01-17 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
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6NPV
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6NIU
 | | Crystal structure of a human anti-ZIKV-DENV neutralizing antibody MZ4 in complex with ZIKV E glycoprotein | | Descriptor: | Envelope protein E, Human MZ4 Fab heavy chain, Human MZ4 Fab light chain | | Authors: | Sankhala, R.S, Dussupt, V, Donofrio, G, Choe, M, Modjarrad, K, Michael, N.L, Krebs, S.J, Joyce, M.G. | | Deposit date: | 2018-12-31 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (4.303 Å) | | Cite: | Potent Zika and dengue cross-neutralizing antibodies induced by Zika vaccination in a dengue-experienced donor.
Nat. Med., 26, 2020
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6NPZ
 | | Crystal structure of Akt1 (aa 123-480) kinase with a bisubstrate | | Descriptor: | GLYCEROL, MANGANESE (II) ION, RAC-alpha serine/threonine-protein kinase, ... | | Authors: | Chu, N, Cole, P.A, Gabelli, S.B. | | Deposit date: | 2019-01-18 | | Release date: | 2019-01-30 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Akt Kinase Activation Mechanisms Revealed Using Protein Semisynthesis.
Cell, 174, 2018
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6NJJ
 | | Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN14770 | | Descriptor: | (4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Fox III, D, Fairman, J.W, Gurney, M.E. | | Deposit date: | 2019-01-03 | | Release date: | 2019-05-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders.
J.Med.Chem., 62, 2019
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6NPU
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