6WJ1
 
 | | Crystal structure of Fab 54-4H03 bound to H1 influenza hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 54-4H03 heavy chain, ... | | Authors: | Wu, N.C, Wilson, I.A. | | Deposit date: | 2020-04-11 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.503 Å) | | Cite: | Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
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6X3Y
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate | | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | Deposit date: | 2020-05-21 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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6X4N
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 24) | | Descriptor: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | Deposit date: | 2020-05-22 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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5W9H
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6WIK
 | | Cryo-EM structure of SLC40/ferroportin with Fab in the presence of hepcidin | | Descriptor: | 11F9 Fab heavy-chain, 11F9 Fab light-chain, Solute carrier family 40 protein | | Authors: | Shen, J, Ren, Z, Pan, Y, Gao, S, Yan, N, Zhou, M. | | Deposit date: | 2020-04-10 | | Release date: | 2020-11-11 | | Last modified: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis of ion transport and inhibition in ferroportin.
Nat Commun, 11, 2020
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3KA0
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6X4O
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone (compound 21) | | Descriptor: | (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | Deposit date: | 2020-05-22 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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3KC3
 | | MK2 complexed to inhibitor N4-(7-(benzofuran-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine | | Descriptor: | MAP kinase-activated protein kinase 2, N~4~-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine | | Authors: | Argiriadi, M.A, Talanian, R.V, Borhani, D.W. | | Deposit date: | 2009-10-20 | | Release date: | 2010-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | 2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode.
Bioorg.Med.Chem.Lett., 20, 2010
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7DRB
 | | Crystal structure of plant receptor like protein RXEG1 with xyloglucanase XEG1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell 12A endoglucanase, ... | | Authors: | Sun, Y, Wang, Y, Zhang, X.X, Chen, Z.D, Xia, Y.Q, Sun, Y.J, Zhang, M.M, Xiao, Y, Han, Z.F, Wang, Y.C, Chai, J.J. | | Deposit date: | 2020-12-27 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Plant receptor-like protein activation by a microbial glycoside hydrolase.
Nature, 610, 2022
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7DRC
 | | Cryo-EM structure of plant receptor like protein RXEG1 in complex with xyloglucanase XEG1 and BAK1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Brassinosteroid insensitive 1-associated receptor kinase 1, ... | | Authors: | Sun, Y, Wang, Y, Zhang, X.X, Chen, Z.D, Xia, Y.Q, Sun, Y.J, Zhang, M.M, Xiao, Y, Han, Z.F, Wang, Y.C, Chai, J.J. | | Deposit date: | 2020-12-27 | | Release date: | 2022-06-22 | | Last modified: | 2022-10-26 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Plant receptor-like protein activation by a microbial glycoside hydrolase.
Nature, 610, 2022
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6WIY
 | | Crystal structure of Fab 54-1G05 | | Descriptor: | Fab 54-1G05 heavy chain, Fab 54-1G05 light chain, GLYCEROL | | Authors: | Wu, N.C, Wilson, I.A. | | Deposit date: | 2020-04-11 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
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5W9L
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7EY7
 | | bacteriophage T7 tail complex | | Descriptor: | Internal virion protein gp14, Tail fiber protein, Tail tubular protein gp11, ... | | Authors: | Liu, H.R, Chen, W.Y. | | Deposit date: | 2021-05-30 | | Release date: | 2021-09-22 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural changes in bacteriophage T7 upon receptor-induced genome ejection.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7EY9
 | | tail proteins | | Descriptor: | Tail fiber protein, Tail tubular protein gp11, Tail tubular protein gp12 | | Authors: | Liu, H.R, Chen, W.Y. | | Deposit date: | 2021-05-30 | | Release date: | 2021-09-22 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural changes in bacteriophage T7 upon receptor-induced genome ejection.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7EY6
 | | The portal protein (GP8) of bacteriophage T7 | | Descriptor: | Portal protein | | Authors: | Liu, H.R, Chen, W.Y. | | Deposit date: | 2021-05-30 | | Release date: | 2021-09-22 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural changes in bacteriophage T7 upon receptor-induced genome ejection.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7EYB
 | | core proteins | | Descriptor: | Internal virion protein gp14, Internal virion protein gp15, Peptidoglycan transglycosylase gp16 | | Authors: | Liu, H.R, Chen, W.Y. | | Deposit date: | 2021-05-30 | | Release date: | 2021-09-22 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural changes in bacteriophage T7 upon receptor-induced genome ejection.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7EY8
 | | portal | | Descriptor: | Portal protein | | Authors: | Liu, H.R, Chen, W.Y. | | Deposit date: | 2021-05-30 | | Release date: | 2021-09-22 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural changes in bacteriophage T7 upon receptor-induced genome ejection.
Proc.Natl.Acad.Sci.USA, 118, 2021
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2OA5
 | | Crystal structure of ORF52 from Murid herpesvirus (MUHV-4) (Murine gammaherpesvirus 68) at 2.1 A resolution. Northeast Structural Genomics Consortium target MHR28B. | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Hypothetical protein BQLF2 | | Authors: | Benach, J, Chen, Y, Seetharaman, J, Janjua, H, Xiao, R, Cunningham, K, Ma, L.-C, Ho, C.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-12-14 | | Release date: | 2007-01-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and functional studies of the abundant tegument protein ORF52 from murine gammaherpesvirus 68.
J.Biol.Chem., 282, 2007
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7FEJ
 | | Complex of FMDV A/AF/72 and bovine neutralizing scFv antibody R55 | | Descriptor: | A/AF/72 VP1, A/AF/72 VP2, A/AF/72 VP3, ... | | Authors: | He, Y, Li, K, Lou, Z. | | Deposit date: | 2021-07-20 | | Release date: | 2021-09-29 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.91 Å) | | Cite: | Structures of Foot-and-Mouth Disease Virus with Bovine Neutralizing Antibodies Reveal the Determinant of Intraserotype Cross-Neutralization.
J.Virol., 95, 2021
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7FEI
 | | Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody R55 | | Descriptor: | Capsid protein VP0, IG HEAVY CHAIN VARIABLE REGION, IG LAMDA CHAIN VARIABLE REGION | | Authors: | He, Y, Li, K, Lou, Z. | | Deposit date: | 2021-07-20 | | Release date: | 2021-09-29 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.91 Å) | | Cite: | Structures of Foot-and-Mouth Disease Virus with Bovine Neutralizing Antibodies Reveal the Determinant of Intraserotype Cross-Neutralization.
J.Virol., 95, 2021
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7F75
 | | Cryo-EM structure of Spx-dependent transcription activation complex | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Lin, W, Feng, Y, Shi, J. | | Deposit date: | 2021-06-28 | | Release date: | 2021-10-13 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural basis of transcription activation by the global regulator Spx.
Nucleic Acids Res., 49, 2021
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7F18
 | | Crystal Structure of a mutant of acid phosphatase from Pseudomonas aeruginosa (Q57H/W58P/D135R) | | Descriptor: | Acid phosphatase | | Authors: | Xu, X, Hou, X.D, Song, W, Yin, D.J, Rao, Y.J, Liu, L.M. | | Deposit date: | 2021-06-08 | | Release date: | 2021-10-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Local Electric Field Modulated Reactivity of Pseudomonas aeruginosa Acid Phosphatase for Enhancing Phosphorylation of l-Ascorbic Acid
Acs Catalysis, 11, 2021
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7F17
 | | Crystal Structure of acid phosphatase | | Descriptor: | Acid phosphatase | | Authors: | Xu, X, Hou, X.D, Song, W, Rao, Y.J, Liu, L.M, Wu, J. | | Deposit date: | 2021-06-08 | | Release date: | 2021-10-27 | | Last modified: | 2022-05-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Local Electric Field Modulated Reactivity of Pseudomonas aeruginosa Acid Phosphatase for Enhancing Phosphorylation of l-Ascorbic Acid
Acs Catalysis, 11, 2021
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3QK0
 | | Crystal structure of PI3K-gamma in complex with benzothiazole 82 | | Descriptor: | N-[6-(6-chloro-5-{[(4-fluorophenyl)sulfonyl]amino}pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2011-01-31 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors.
J.Med.Chem., 54, 2011
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3QJZ
 | | Crystal structure of PI3K-gamma in complex with benzothiazole 1 | | Descriptor: | N-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2011-01-31 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery and Optimization of a Series of Benzothiazole Phosphoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors.
J.Med.Chem., 54, 2011
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