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7ZQC
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Monomeric PSI of Chlamydomonas reinhardtii at 2.31 A resolution
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Naschberger, A, Amunts, A.
登録日2022-04-29
公開日2022-11-23
実験手法ELECTRON MICROSCOPY (2.31 Å)
主引用文献Algal photosystem I dimer and high-resolution model of PSI-plastocyanin complex.
Nat.Plants, 8, 2022
7ZQE
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Plastocyanin bound to PSI of Chlamydomonas reinhardtii
分子名称: COPPER (II) ION, Plastocyanin, chloroplastic
著者Naschberger, A, Amunts, A.
登録日2022-04-29
公開日2022-11-23
実験手法ELECTRON MICROSCOPY (2.55 Å)
主引用文献Algal photosystem I dimer and high-resolution model of PSI-plastocyanin complex.
Nat.Plants, 8, 2022
7ZQD
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BU of 7zqd by Molmil
Dimeric PSI of Chlamydomonas reinhardtii at 2.97 A resolution
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Naschberger, A, Amunts, A.
登録日2022-04-29
公開日2022-11-23
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Algal photosystem I dimer and high-resolution model of PSI-plastocyanin complex.
Nat.Plants, 8, 2022
2LFV
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BU of 2lfv by Molmil
Solution Structure of the SPOR domain from E. coli DamX
分子名称: Protein damX
著者Williams, K.B, Arends, S.J.R, Popham, D.L, Fowler, C.A, Weiss, D.S.
登録日2011-07-15
公開日2012-07-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Nuclear Magnetic Resonance Solution Structure of the Peptidoglycan-Binding SPOR Domain from Escherichia coli DamX: Insights into Septal Localization.
Biochemistry, 52, 2013
5T8F
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BU of 5t8f by Molmil
p110delta/p85alpha with taselisib (GDC-0032)
分子名称: 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Moertl, M, Steinbacher, S, Eigenbrot, C.
登録日2016-09-07
公開日2017-01-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
5TEE
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BU of 5tee by Molmil
Crystal structure of Gemin5 WD40 repeats in apo form
分子名称: GLYCEROL, Gem-associated protein 5, SODIUM ION, ...
著者Chao, X, Tempel, W, Bian, C, Cerovina, T, He, H, Walker, J.R, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2016-09-21
公開日2016-10-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly.
Genes Dev., 30, 2016
5T8O
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BU of 5t8o by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to Imidazobenzoxepin Compound 3
分子名称: 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
著者Smith, M.A, McEwan, P, Hymowitz, S.G.
登録日2016-09-08
公開日2017-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
5T8P
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BU of 5t8p by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to benzoxepin compound 2
分子名称: 6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
著者Smith, M.A, McEwan, P.A.
登録日2016-09-08
公開日2017-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
7DH4
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BU of 7dh4 by Molmil
Double mutant- V493I-V507M coiled coil domain of Trypanosoma brucei coronin
分子名称: Coronin
著者Parihar, P.S, Pratap, J.V.
登録日2020-11-12
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structural insights into kinetoplastid coronin oligomerization domain and F-actin interaction
Curr Res Struct Biol, 3, 2021
7DGX
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BU of 7dgx by Molmil
Structure of coiled coil domain of Trypanosoma brucei coronin
分子名称: Coronin
著者Parihar, P.S, Karade, S.S, Pratap, J.V.
登録日2020-11-12
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural insights into kinetoplastid coronin oligomerization domain and F-actin interaction
Curr Res Struct Biol, 3, 2021
7DHB
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BU of 7dhb by Molmil
mutant V507M coiled coil domain of Trypanosoma brucei coronin
分子名称: Coronin
著者Parihar, P.S, Pratap, J.V.
登録日2020-11-13
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Structural insights into kinetoplastid coronin oligomerization domain and F-actin interaction
Curr Res Struct Biol, 3, 2021
7DKJ
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BU of 7dkj by Molmil
Hemagglutinin Influenza A virus (A/Okuda/1957(H2N2) bound with a neutralizing antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fv-clasp heavy chain, Fv-clasp light chain, ...
著者Shirouzu, M.
登録日2020-11-24
公開日2021-11-24
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Hemagglutinin Influenza A virus (A/Okuda/1957(H2N2) bound with a neutralizing antibody
To Be Published
5TR6
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BU of 5tr6 by Molmil
Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK)
分子名称: 1,2-ETHANEDIOL, 6-{[(1R,2S)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one, Tyrosine-protein kinase SYK
著者Yano, J, Jennings, A, Lam, B, Hoffman, I.D.
登録日2016-10-25
公開日2016-11-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK).
Bioorg. Med. Chem. Lett., 26, 2016
5T5X
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BU of 5t5x by Molmil
High resolution structure of mouse Cryptochrome 1
分子名称: CHLORIDE ION, Cryptochrome-1
著者Michael, A.K, Tripathi, S, Partch, C.L.
登録日2016-08-31
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Formation of a repressive complex in the mammalian circadian clock is mediated by the secondary pocket of CRY1.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5TEF
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BU of 5tef by Molmil
Crystal structure of Gemin5 WD40 repeats in complex with m7GpppG
分子名称: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, GLYCEROL, Gem-associated protein 5, ...
著者Chao, X, Tempel, W, Bian, C, He, H, Cerovina, T, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2016-09-21
公開日2016-10-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly.
Genes Dev., 30, 2016
5V4U
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BU of 5v4u by Molmil
Solution structure of VKK38 bound to plasminogen kringle 2
分子名称: M protein
著者Yuan, Y, Castellino, F.
登録日2017-03-10
公開日2017-07-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Conformationally organized lysine isosteres in Streptococcus pyogenes M protein mediate direct high-affinity binding to human plasminogen.
J. Biol. Chem., 292, 2017
5T8Q
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BU of 5t8q by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to aryl pyrrole fragment 17
分子名称: 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
著者Smith, M.A, McEwan, P.A, Hymowitz, S.G.
登録日2016-09-08
公開日2017-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
5TT7
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BU of 5tt7 by Molmil
Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK)
分子名称: 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one, Tyrosine-protein kinase SYK
著者Yano, J, Jennings, A, Lam, B, Hoffman, I.D.
登録日2016-11-01
公開日2016-11-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK).
Bioorg. Med. Chem. Lett., 26, 2016
5THA
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BU of 5tha by Molmil
Gemin5 WD40 repeats in complex with a guanosyl moiety
分子名称: DIGUANOSINE-5'-TRIPHOSPHATE, Gem-associated protein 5, UNKNOWN ATOM OR ION
著者Chao, X, Tempel, W, Bian, C, Cerovina, T, He, H, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2016-09-29
公開日2016-10-19
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly.
Genes Dev., 30, 2016
6CA4
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BU of 6ca4 by Molmil
Crystal structure of humanized D. rerio TDP2 by 14 mutations
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, MALONATE ION, ...
著者Shi, K, Aihrara, H.
登録日2018-01-29
公開日2018-05-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.623 Å)
主引用文献New fluorescence-based high-throughput screening assay for small molecule inhibitors of tyrosyl-DNA phosphodiesterase 2 (TDP2).
Eur J Pharm Sci, 118, 2018
6BX3
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BU of 6bx3 by Molmil
Structure of histone H3k4 methyltransferase
分子名称: COMPASS component BRE2, COMPASS component SDC1, COMPASS component SPP1, ...
著者Skiniotis, G, Qu, Q.H.
登録日2017-12-16
公開日2018-09-05
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structure and Conformational Dynamics of a COMPASS Histone H3K4 Methyltransferase Complex.
Cell, 174, 2018
7XMC
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BU of 7xmc by Molmil
Cryo-EM structure of Cytochrome bo3 from Escherichia coli, apo structure with DMSO
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
著者Nishida, Y, Shigematsu, H, Iwamoto, T, Takashima, S, Shintani, Y.
登録日2022-04-25
公開日2022-12-21
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
7XMD
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BU of 7xmd by Molmil
Cryo-EM structure of Cytochrome bo3 from Escherichia coli, the structure complexed with an allosteric inhibitor N4
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
著者Nishida, Y, Shigematsu, H, Iwamoto, T, Takashima, S, Shintani, Y.
登録日2022-04-25
公開日2022-12-21
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
7XMA
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BU of 7xma by Molmil
Crystal structure of Bovine heart cytochrome c oxidase, apo structure with DMSO
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Nishida, Y, Shinzawa-Itoh, K, Mizuno, N, Kumasaka, T, Yoshikawa, S, Tsukihara, T, Takashima, S, Shintani, Y.
登録日2022-04-25
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
7XMB
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Crystal structure of Bovine heart cytochrome c oxidase, the structure complexed with an allosteric inhibitor T113
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Nishida, Y, Shinzawa-Itoh, K, Mizuno, N, Kumasaka, T, Yoshikawa, S, Tsukihara, T, Shintani, Y, Takashima, S.
登録日2022-04-25
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022

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