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1S5L
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Architecture of the photosynthetic oxygen evolving center
分子名称: 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, BETA-CAROTENE, BICARBONATE ION, ...
著者Ferreira, K.N, Iverson, T.M, Maghlaoui, K, Barber, J, Iwata, S.
登録日2004-01-21
公開日2004-02-24
最終更新日2021-03-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Architecture of the Photosynthetic Oxygen-Evolving Center
Science, 303, 2004
6J8I
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Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (Y1755 up)
分子名称: (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shen, H, Liu, D, Lei, J, Yan, N.
登録日2019-01-19
公開日2019-02-27
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
7VD5
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Structure of C2S2M2-type PSII-FCPII supercomplex from diatom
分子名称: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
著者Nagao, R, Kato, K, Akita, F, Miyazaki, N, Shen, J.R.
登録日2021-09-06
公開日2022-03-02
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structural basis for different types of hetero-tetrameric light-harvesting complexes in a diatom PSII-FCPII supercomplex
Nat Commun, 13, 2022
7W37
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Structure of USP14-bound human 26S proteasome in state EA1_UBL
分子名称: 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ...
著者Zhang, S, Zou, S, Yin, D, Wu, Z, Mao, Y.
登録日2021-11-25
公開日2022-05-04
最終更新日2022-06-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献USP14-regulated allostery of the human proteasome by time-resolved cryo-EM.
Nature, 605, 2022
7W38
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Structure of USP14-bound human 26S proteasome in state EA2.0_UBL
分子名称: 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ...
著者Zhang, S, Zou, S, Yin, D, Wu, Z, Mao, Y.
登録日2021-11-25
公開日2022-05-04
最終更新日2022-06-01
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献USP14-regulated allostery of the human proteasome by time-resolved cryo-EM.
Nature, 605, 2022
7OBR
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RNC-SRP early complex
分子名称: 28S rRNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
著者Jomaa, A, Ban, N.
登録日2021-04-23
公開日2021-07-21
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Molecular mechanism of cargo recognition and handover by the mammalian signal recognition particle.
Cell Rep, 36, 2021
1S8J
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Nitrate-bound D85S mutant of bacteriorhodopsin
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin precursor, NITRATE ION, ...
著者Facciotti, M.T, Cheung, V.S, Lunde, C.S, Rouhani, S, Baliga, N.S, Glaeser, R.M.
登録日2004-02-02
公開日2004-06-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Specificity of anion binding in the substrate pocket of bacteriorhodopsin.
Biochemistry, 43, 2004
4KIP
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Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with 2-(2-CHLOROPHENYL)-N-(5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)-1,3-THIAZOLE-5-CARBOXAMIDE
分子名称: 2-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1,3-thiazole-5-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S, Tokarski, J.S.
登録日2013-05-02
公開日2013-06-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013
2F3F
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Crystal Structure of the Bace complex with BDF488, a macrocyclic inhibitor
分子名称: (2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE, Beta-secretase 1
著者Rondeau, J.-M.
登録日2005-11-21
公開日2006-09-05
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE).
J.Med.Chem., 49, 2006
1S8L
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Anion-free form of the D85S mutant of bacteriorhodopsin from crystals grown in the presence of halide
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin precursor, RETINAL
著者Facciotti, M.T, Cheung, V.S, Lunde, C.S, Rouhani, S, Baliga, N.S, Glaeser, R.M.
登録日2004-02-02
公開日2004-06-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Specificity of anion binding in the substrate pocket of bacteriorhodopsin.
Biochemistry, 43, 2004
6J8J
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Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (Y1755 down)
分子名称: (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shen, H, Liu, D, Lei, J, Yan, N.
登録日2019-01-19
公開日2019-02-27
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
4JQ6
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BU of 4jq6 by Molmil
Crystal structure of blue light-absorbing proteorhodopsin from Med12 at 2.3 Angstrom
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Proteorhodopsin, RETINAL
著者Ozorowski, G, Luecke, H.
登録日2013-03-20
公開日2013-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Cross-protomer interaction with the photoactive site in oligomeric proteorhodopsin complexes.
Acta Crystallogr.,Sect.D, 69, 2013
4IL6
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Structure of Sr-substituted photosystem II
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Koua, F.H.M, Umena, Y, Kawakami, K, Kamiya, N, Shen, J.R.
登録日2012-12-29
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of Sr-substituted photosystem II at 2.1 A resolution and its implications in the mechanism of water oxidation
Proc.Natl.Acad.Sci.USA, 110, 2013
4KIQ
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BU of 4kiq by Molmil
Crystal structure of mitogen-activated protein kinase 14 (P38-H5) complex with ETHYL 6-((5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL)CARBAMOYL)-1H-INDOLE-1-CARBOXYLATE
分子名称: Mitogen-activated protein kinase 14, ethyl 6-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl}-1H-indole-1-carboxylate
著者Sack, J.S, Tokarski, J.S.
登録日2013-05-02
公開日2013-06-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Identification of Novel P38-Alpha Isoform Selective Kinase Inhibitors Having an Unprecedented P38-Alpha Binding Mode
Bioorg.Med.Chem.Lett., 23, 2013
2I1X
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Bacteriorhodopsin/lipid complex, D96A mutant
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, Bacteriorhodopsin, ...
著者Lanyi, J.K, Schobert, B.
登録日2006-08-15
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Propagating Structural Perturbation Inside Bacteriorhodopsin: Crystal Structures of the M State and the D96A and T46V Mutants.
Biochemistry, 45, 2006
2I21
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Bacteriorhodopsin/lipid complex, T46V mutant
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, Bacteriorhodopsin, ...
著者Lanyi, J.K, Schobert, B.
登録日2006-08-15
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Propagating Structural Perturbation Inside Bacteriorhodopsin: Crystal Structures of the M State and the D96A and T46V Mutants.
Biochemistry, 45, 2006
2I20
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Bacteriorhodopsin/lipid complex, M state of D96A mutant
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, Bacteriorhodopsin, ...
著者Lanyi, J.K, Schobert, B.
登録日2006-08-15
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Propagating Structural Perturbation Inside Bacteriorhodopsin: Crystal Structures of the M State and the D96A and T46V Mutants.
Biochemistry, 45, 2006
5W8F
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Crystal structure of human Mcl-1 in complex with modified Bim BH3 peptide SAH-MS1-14
分子名称: Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, modified Bim BH3 peptide SAH-MS1-14
著者Rezaei Araghi, R, Jenson, J.M, Grant, R.A, Keating, A.E.
登録日2017-06-21
公開日2018-01-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Iterative optimization yields Mcl-1-targeting stapled peptides with selective cytotoxicity to Mcl-1-dependent cancer cells.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3KEE
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HCV NS3/NS4A complexed with Non-covalent macrocyclic compound TMC435
分子名称: (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, 19-mer peptide from Genome polyprotein, GLYCEROL, ...
著者Lindberg, J.D, Nystrom, S, Cummings, M.D.
登録日2009-10-26
公開日2010-03-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Induced-Fit Binding of the Macrocyclic Noncovalent Inhibitor TMC435 to its HCV NS3/NS4A Protease Target
Angew.Chem.Int.Ed.Engl., 49, 2010
8ZLE
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hAE3NTD2TMD with PT5,CLR, and Y01
分子名称: CHOLESTEROL, CHOLESTEROL HEMISUCCINATE, [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate, ...
著者Jian, L, Zhang, Q, Yao, D, Wang, Q, Xia, Y, Qin, A, Cao, Y.
登録日2024-05-19
公開日2024-07-31
最終更新日2024-08-07
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献The structural insight into the functional modulation of human anion exchanger 3.
Nat Commun, 15, 2024
9BG1
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Tri-complex of Compound-3, KRAS G12V, and CypA
分子名称: (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ...
著者Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K.
登録日2024-04-18
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Tri-complex of Compound-3, KRAS G12V, and CypA
To be published
6GWE
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Crystal structure of Thrombin bound to P2 macrocycle
分子名称: (10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cendron, L, Angelini, A, Kale, S.S, Bergeron-Brlek, M, Wu, Y, Heinis, C.
登録日2018-06-23
公開日2019-09-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Thiol-to-amine cyclization reaction enables screening of large libraries of macrocyclic compounds and the generation of sub-kilodalton ligands.
Sci Adv, 5, 2019
8TO1
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Escherichia coli RNA polymerase unwinding intermediate (I1a) at the lambda PR promoter
分子名称: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Darst, S.A, Saecker, R.M, Mueller, A.U.
登録日2023-08-02
公開日2024-07-03
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Early intermediates in bacterial RNA polymerase promoter melting visualized by time-resolved cryo-electron microscopy.
Nat.Struct.Mol.Biol., 2024
8TO6
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Escherichia coli RNA polymerase unwinding intermediate (I1d) at the lambda PR promoter
分子名称: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Darst, S.A, Saecker, R.M, Mueller, A.U.
登録日2023-08-02
公開日2024-07-03
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Early intermediates in bacterial RNA polymerase promoter melting visualized by time-resolved cryo-electron microscopy.
Nat.Struct.Mol.Biol., 2024
5GTI
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Native XFEL structure of photosystem II (two flash dataset)
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Suga, M, Shen, J.R.
登録日2016-08-20
公開日2017-03-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL.
Nature, 543, 2017

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