7B5E
 
 | | Structure of calcium-bound mTMEM16A(ac)-I551A chloride channel at 4.1 A resolution | | Descriptor: | Anoctamin-1, CALCIUM ION | | Authors: | Lam, A.K.M, Rheinberger, J, Paulino, C, Dutzler, R. | | Deposit date: | 2020-12-03 | | Release date: | 2021-02-10 | | Last modified: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Gating the pore of the calcium-activated chloride channel TMEM16A.
Nat Commun, 12, 2021
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6XLE
 | | Full-length Hsc82 in complex with two Aha1 CTD in the presence of AMP-PNP | | Descriptor: | ATP-dependent molecular chaperone HSC82, Hsp90 co-chaperone AHA1, MAGNESIUM ION, ... | | Authors: | Liu, Y.X, Sun, M, Myasnikov, A.G, Elnatan, D, Agard, D.A. | | Deposit date: | 2020-06-28 | | Release date: | 2021-06-30 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | Cryo-EM structures reveal a multistep mechanism of Hsp90 activation by co-chaperone Aha1
To Be Published
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6XLF
 | | Full-length Hsc82 in complex with Aha1 in the presence of AMP-PNP | | Descriptor: | ATP-dependent molecular chaperone HSC82, Hsp90 co-chaperone AHA1, MAGNESIUM ION, ... | | Authors: | Liu, Y.X, Sun, M, Myasnikov, A.G, Elnatan, D, Agard, D.A. | | Deposit date: | 2020-06-28 | | Release date: | 2021-06-30 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Cryo-EM structures reveal a multistep mechanism of Hsp90 activation by co-chaperone Aha1
To Be Published
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5MEF
 | | Cyanothece lipoxygenase 2 (CspLOX2) variant - L304F | | Descriptor: | Arachidonate 15-lipoxygenase, CHLORIDE ION, FE (III) ION, ... | | Authors: | Newie, J, Neumann, P, Werner, M, Mata, R.A, Ficner, R, Feussner, I. | | Deposit date: | 2016-11-14 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.357 Å) | | Cite: | Lipoxygenase 2 from Cyanothece sp. controls dioxygen insertion by steric shielding and substrate fixation.
Sci Rep, 7, 2017
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7B5C
 | | Structure of calcium-bound mTMEM16A(ac) chloride channel at 3.7 A resolution | | Descriptor: | Anoctamin-1, CALCIUM ION | | Authors: | Lam, A.K.M, Rheinberger, J, Paulino, C, Dutzler, R. | | Deposit date: | 2020-12-03 | | Release date: | 2021-02-10 | | Last modified: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Gating the pore of the calcium-activated chloride channel TMEM16A.
Nat Commun, 12, 2021
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7S7F
 | | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PHOSPHOPEPTIDE | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | | Deposit date: | 2021-09-15 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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8C23
 | | Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200T (monoclinic form M200T#m) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Sciuk, A, Ruszkowski, M, Jaskolski, M, Loch, J.I. | | Deposit date: | 2022-12-21 | | Release date: | 2023-05-03 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.842 Å) | | Cite: | The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII.
Protein Sci., 32, 2023
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5JJ4
 | | Crystal Structure of a Variant Human Activation-induced Deoxycytidine Deaminase as an MBP fusion protein | | Descriptor: | CALCIUM ION, Maltose-binding periplasmic protein,Single-stranded DNA cytosine deaminase, ZINC ION, ... | | Authors: | Pedersen, L.C, Goodman, M.F, Pham, P, Afif, S.A. | | Deposit date: | 2016-04-22 | | Release date: | 2016-06-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.807 Å) | | Cite: | Structural analysis of the activation-induced deoxycytidine deaminase required in immunoglobulin diversification.
DNA Repair (Amst.), 43, 2016
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6XLG
 | | Full-length Hsc82 in complex with two Aha1 CTD in the presence of ATPgammaS | | Descriptor: | ATP-dependent molecular chaperone HSC82, Hsp90 co-chaperone AHA1, MAGNESIUM ION, ... | | Authors: | Liu, Y.X, Sun, M, Myasnikov, A.G, Elnatan, D, Agard, D.A. | | Deposit date: | 2020-06-28 | | Release date: | 2021-06-30 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | Cryo-EM structures reveal a multistep mechanism of Hsp90 activation by co-chaperone Aha1
To Be Published
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7S7E
 | | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PEPTIDE | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | | Deposit date: | 2021-09-15 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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6MWX
 | | CryoEM structure of Chimeric Eastern Equine Encephalitis Virus with Fab of EEEV-69 Antibody | | Descriptor: | E1, E2, EEEV-69 antibody heavy chain, ... | | Authors: | Hasan, S.S, Sun, C, Kim, A.S, Watanabe, Y, Chen, C.L, Klose, T, Buda, G, Crispin, M, Diamond, M.S, Klimstra, W.B, Rossmann, M.G. | | Deposit date: | 2018-10-30 | | Release date: | 2018-12-19 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (8.2 Å) | | Cite: | Cryo-EM Structures of Eastern Equine Encephalitis Virus Reveal Mechanisms of Virus Disassembly and Antibody Neutralization.
Cell Rep, 25, 2018
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6MW9
 | | CryoEM structure of chimeric Eastern Equine Encephalitis Virus with Fab of EEEV-3 antibody | | Descriptor: | E1, E2, EEEV-3 antibody heavy chain, ... | | Authors: | Hasan, S.S, Sun, C, Kim, A.S, Watanabe, Y, Chen, C.L, Klose, T, Buda, G, Crispin, M, Diamond, M.S, Klimstra, W.B, Rossmann, M.G. | | Deposit date: | 2018-10-29 | | Release date: | 2018-12-19 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (7.3 Å) | | Cite: | Cryo-EM Structures of Eastern Equine Encephalitis Virus Reveal Mechanisms of Virus Disassembly and Antibody Neutralization.
Cell Rep, 25, 2018
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6XLH
 | | Asymmetric hydrolysis state of Hsc82 in complex with Aha1 bound with ADP and ATPgammaS | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent molecular chaperone HSC82, Hsp90 co-chaperone AHA1, ... | | Authors: | Liu, Y.X, Sun, M, Myasnikov, A.G, Elnatan, D, Agard, D.A. | | Deposit date: | 2020-06-28 | | Release date: | 2021-06-30 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Cryo-EM structures reveal a multistep mechanism of Hsp90 activation by co-chaperone Aha1
To Be Published
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5MF1
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6EYO
 | | Structure of extended IgE-Fc in complex with two anti-IgE Fabs | | Descriptor: | 8D6 Fab heavy chain, 8D6 Fab light chain, Immunoglobulin heavy constant epsilon, ... | | Authors: | Chen, J.B, Ramadani, F, Pang, M.O.Y, Beavil, R.L, Holdom, M.D, Mitropoulou, A.N, Beavil, A.J, Gould, H.J, Chang, T.W, Sutton, B.J, McDonnell, J.M, Davies, A.M. | | Deposit date: | 2017-11-13 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structural basis for selective inhibition of immunoglobulin E-receptor interactions by an anti-IgE antibody.
Sci Rep, 8, 2018
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6XVU
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5MFD
 | | Designed armadillo repeat protein YIIIM''6AII in complex with pD_(KR)5 | | Descriptor: | CALCIUM ION, Capsid decoration protein,pD_(KR)5, YIIIM''6AII | | Authors: | Hansen, S, Kiefer, J, Madhurantakam, C, Mittl, P, Plueckthun, A. | | Deposit date: | 2016-11-18 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of designed armadillo repeat proteins binding to peptides fused to globular domains.
Protein Sci., 26, 2017
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5JHA
 | | Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin2 | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol | | Authors: | Burke, J.E, Inglis, A.J, Williams, R.L. | | Deposit date: | 2016-04-20 | | Release date: | 2017-03-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
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5MDK
 | | Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its as-isolated form (oxidized state - state 3) | | Descriptor: | CHLORIDE ION, FE3-S4 CLUSTER, FE4-S3 CLUSTER, ... | | Authors: | Schmidt, A, Kalms, J, Scheerer, P. | | Deposit date: | 2016-11-11 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Tracking the route of molecular oxygen in O2-tolerant membrane-bound [NiFe] hydrogenase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6MHB
 | | Glutathione S-Transferase Omega 1 bound to covalent inhibitor 18 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase omega-1, N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide | | Authors: | Petrunak, E.M, Stuckey, J.A. | | Deposit date: | 2018-09-17 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure-Based Design of N-(5-Phenylthiazol-2-yl)acrylamides as Novel and Potent Glutathione S-Transferase Omega 1 Inhibitors.
J. Med. Chem., 62, 2019
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5JN9
 | | Crystal structure for the complex of human carbonic anhydrase IV and ethoxyzolamide | | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, ACETATE ION, Carbonic anhydrase 4, ... | | Authors: | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | | Deposit date: | 2016-04-29 | | Release date: | 2017-05-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
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6RGK
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-055 | | Descriptor: | 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-butyl-prop-2-ynamide, FORMIC ACID, GLYCEROL, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2019-04-16 | | Release date: | 2019-07-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27, 2019
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7RZJ
 | | CRYSTAL STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | | Authors: | Patskovsky, Y, Patskovska, L, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | | Deposit date: | 2021-08-27 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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5JNP
 | | Crystal structure of a rice (Oryza Sativa) cellulose synthase plant conserved region (P-CR) | | Descriptor: | CITRATE ANION, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Rushton, P.S, Olek, A.T, Makowski, L, Badger, J, Steussy, C.N, Carpita, N.C, Stauffacher, C.V. | | Deposit date: | 2016-04-30 | | Release date: | 2016-12-28 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.404 Å) | | Cite: | Rice Cellulose SynthaseA8 Plant-Conserved Region Is a Coiled-Coil at the Catalytic Core Entrance.
Plant Physiol., 173, 2017
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8SJK
 | | Pembrolizumab Caffeine crystal | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY HEAVY CHAIN, ANTIBODY LIGHT CHAIN, ... | | Authors: | Larpent, P, Codan, L, Bothe, J.R, Stueber, D, Reichert, P, Fischmann, T, Su, Y, Pabit, S, Gupta, S, Iuzzolino, L, Cote, A. | | Deposit date: | 2023-04-18 | | Release date: | 2024-04-24 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Small-Angle X-ray Scattering as a Powerful Tool for Phase and Crystallinity Assessment of Monoclonal Antibody Crystallites in Support of Batch Crystallization.
Mol Pharm., 2024
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