7QOH
 
 | | Unique vertex of the phicrAss001 virion with C5 symmetry imposed | | 分子名称: | Auxiliary capsid protein gp36, Head fiber trimer protein gp21, MAGNESIUM ION, ... | | 著者 | Bayfield, O.W, Shkoporov, A.N, Yutin, N, Khokhlova, E.V, Smith, J.L.R, Hawkins, D.E.D.P, Koonin, E.V, Hill, C, Antson, A.A. | | 登録日 | 2021-12-24 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-05-24 | | 実験手法 | ELECTRON MICROSCOPY (3.32 Å) | | 主引用文献 | Structural atlas of a human gut crassvirus.
Nature, 617, 2023
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6W1O
 | | RT XFEL structure of the dark-stable state of Photosystem II (0F, S1-rich) at 2.08 Angstrom resolution | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | | 登録日 | 2020-03-04 | | 公開日 | 2020-05-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7QOK
 | | Tail muzzle assembly of the phicrAss001 virion with C6 symmetry imposed | | 分子名称: | MAGNESIUM ION, Muzzle bound helix, Muzzle protein gp44, ... | | 著者 | Bayfield, O.W, Shkoporov, A.N, Yutin, N, Khokhlova, E.V, Smith, J.L.R, Hawkins, D.E.D.P, Koonin, E.V, Hill, C, Antson, A.A. | | 登録日 | 2021-12-24 | | 公開日 | 2023-03-29 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.38 Å) | | 主引用文献 | Structural atlas of a human gut crassvirus.
Nature, 617, 2023
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7QOL
 | | Tail assembly of the phicrAss001 virion with C6 symmetry imposed | | 分子名称: | Cargo protein 1 gp45, MAGNESIUM ION, Muzzle bound helix, ... | | 著者 | Bayfield, O.W, Shkoporov, A.N, Yutin, N, Khokhlova, E.V, Smith, J.L.R, Hawkins, D.E.D.P, Koonin, E.V, Hill, C, Antson, A.A. | | 登録日 | 2021-12-24 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-05-24 | | 実験手法 | ELECTRON MICROSCOPY (3.33 Å) | | 主引用文献 | Structural atlas of a human gut crassvirus.
Nature, 617, 2023
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6NM4
 | | Crystal structure of SAM-bound PRDM9 in complex with MRK-740 inhibitor | | 分子名称: | 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane, Histone-lysine N-methyltransferase PRDM9, S-ADENOSYLMETHIONINE, ... | | 著者 | Ivanochko, D, Halabelian, L, Fischer, C, Sanders, J.M, Kattar, S.D, Brown, P.J, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | 登録日 | 2019-01-10 | | 公開日 | 2019-02-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Discovery of a chemical probe for PRDM9.
Nat Commun, 10, 2019
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7AEG
 | | SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5 | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide | | 著者 | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | | 登録日 | 2020-09-17 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
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8DAQ
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8DAN
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8FY0
 | | E3:PROTAC:target ternary complex structure (VCB/753b/BCL-xL) | | 分子名称: | Bcl-2-like protein 1, CACODYLIC ACID, Elongin-B, ... | | 著者 | Olsen, S.K, Nayak, D, Lv, D, Yuan, Y, Zhang, P, Hu, W, Lv, Z, Sung, P, Hromas, R, Zheng, G, Zhou, D. | | 登録日 | 2023-01-25 | | 公開日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | | 主引用文献 | Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL.
Nat Commun, 15, 2024
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7AEH
 | | SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1 | | 分子名称: | (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | 著者 | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | | 登録日 | 2020-09-17 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
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6YH0
 | | Marasmius oreades agglutinin (MOA) in complex with the truncated PVPRAHS synthetic substrate | | 分子名称: | Agglutinin, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Cordara, G, Manna, D, Krengel, U. | | 登録日 | 2020-03-28 | | 公開日 | 2020-07-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti .
Curr Res Struct Biol, 2, 2020
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7ONS
 | | PARP1 catalytic domain in complex with isoquinolone-based inhibitor (compound 16) | | 分子名称: | 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | | 著者 | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | | 登録日 | 2021-05-25 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
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7OX8
 | | Target-bound SpCas9 complex with TRAC full RNA guide | | 分子名称: | CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, POTASSIUM ION, ... | | 著者 | Donohoue, P, Pacesa, M, Lau, E, Vidal, B, Irby, M.J, Nyer, D.B, Rotstein, T, Banh, L, Toh, M.T, Gibson, J, Kohrs, B, Baek, K, Owen, A.L.G, Slorach, E.M, van Overbeek, M, Fuller, C.K, May, A.P, Jinek, M, Cameron, P. | | 登録日 | 2021-06-22 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Conformational control of Cas9 by CRISPR hybrid RNA-DNA guides mitigates off-target activity in T cells.
Mol.Cell, 81, 2021
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7ONT
 | | PARP1 catalytic domain in complex with a selective pyridine carboxamide-based inhibitor (compound 22) | | 分子名称: | 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | | 著者 | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M.J, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | | 登録日 | 2021-05-25 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.853 Å) | | 主引用文献 | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
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8G5B
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7OX7
 | | Target-bound SpCas9 complex with TRAC chimeric RNA-DNA guide | | 分子名称: | CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, POTASSIUM ION, ... | | 著者 | Donohoue, P, Pacesa, M, Lau, E, Vidal, B, Irby, M.J, Nyer, D.B, Rotstein, T, Banh, L, Toh, M.T, Gibson, J, Kohrs, B, Baek, K, Owen, A.L.G, Slorach, E.M, van Overbeek, M, Fuller, C.K, May, A.P, Jinek, M, Cameron, P. | | 登録日 | 2021-06-22 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Conformational control of Cas9 by CRISPR hybrid RNA-DNA guides mitigates off-target activity in T cells.
Mol.Cell, 81, 2021
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8G5A
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7ONR
 | | PARP1 catalytic domain in complex with 8-chloroquinazolinone-based inhibitor (compound 9) | | 分子名称: | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | | 著者 | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | | 登録日 | 2021-05-25 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
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8GF5
 | | McrD binds asymmetrically to methyl-coenzyme M reductase improving active site accessibility during assembly | | 分子名称: | 1-THIOETHANESULFONIC ACID, Coenzyme B, FACTOR 430, ... | | 著者 | Joiner, A.M.N, Chadwick, G.L, Nayak, D.D. | | 登録日 | 2023-03-07 | | 公開日 | 2023-06-28 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | McrD binds asymmetrically to methyl-coenzyme M reductase improving active-site accessibility during assembly.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8GF6
 | | Apo-apo MCR assembly intermediate | | 分子名称: | Methyl coenzyme M reductase, subunit D, Methyl-coenzyme M reductase subunit alpha, ... | | 著者 | Joiner, A.M.N, Chadwick, G.L, Nayak, D.D. | | 登録日 | 2023-03-07 | | 公開日 | 2023-06-28 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | McrD binds asymmetrically to methyl-coenzyme M reductase improving active-site accessibility during assembly.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8GEP
 | | SULFITE REDUCTASE HEMOPROTEIN NITRATE COMPLEX | | 分子名称: | IRON/SULFUR CLUSTER, NITRATE ION, POTASSIUM ION, ... | | 著者 | Crane, B.R, Getzoff, E.D. | | 登録日 | 1997-07-11 | | 公開日 | 1998-01-14 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Probing the catalytic mechanism of sulfite reductase by X-ray crystallography: structures of the Escherichia coli hemoprotein in complex with substrates, inhibitors, intermediates, and products.
Biochemistry, 36, 1997
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6O38
 | | Structure of a chaperone-substrate complex | | 分子名称: | Acinetobacter secreted protease CpaA, SULFATE ION, Type II secretion chaperone CpaB, ... | | 著者 | Urusova, D.V, Tolia, N.H. | | 登録日 | 2019-02-26 | | 公開日 | 2019-07-24 | | 最終更新日 | 2019-09-25 | | 実験手法 | X-RAY DIFFRACTION (2.595 Å) | | 主引用文献 | The structure ofAcinetobacter-secreted protease CpaA complexed with its chaperone CpaB reveals a novel mode of a T2SS chaperone-substrate interaction.
J.Biol.Chem., 294, 2019
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6O3C
 | | Crystal structure of active Smoothened bound to SAG21k, cholesterol, and NbSmo8 | | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-chloro-4,7-difluoro-N-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-N-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide, ... | | 著者 | Deshpande, I.S, Liang, J, Hedeen, D, Roberts, K.J, Zhang, Y, Ha, B, Latorraca, N.R, Faust, B, Dror, R.O, Beachy, P.A, Myers, B.R, Manglik, A. | | 登録日 | 2019-02-26 | | 公開日 | 2019-07-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Smoothened stimulation by membrane sterols drives Hedgehog pathway activity.
Nature, 571, 2019
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6W1V
 | | RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.09 Angstrom resolution | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | | 登録日 | 2020-03-04 | | 公開日 | 2020-06-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8R54
 | | Mouse teneurin-3 non-compact subunit - A0B0 isoform | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Teneurin-3, ... | | 著者 | Gogou, C, Meijer, D.H. | | 登録日 | 2023-11-15 | | 公開日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Alternative splicing controls teneurin-3 compact dimer formation for neuronal recognition.
Nat Commun, 15, 2024
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