7BCV
 
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5W8R
 | | Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI | | 分子名称: | 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | | 著者 | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | | 登録日 | 2017-06-22 | | 公開日 | 2017-07-19 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI
To be published
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6H4B
 | | A polyamorous repressor: deciphering the evolutionary strategy used by the phage-inducible chromosomal islands to spread in nature. | | 分子名称: | ORF026, Orf20 | | 著者 | Ciges-Tomas, J.R, Alite, C, Bowring, J.Z, Donderis, J, Penades, J.R, Marina, A. | | 登録日 | 2018-07-20 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.902 Å) | | 主引用文献 | The structure of a polygamous repressor reveals how phage-inducible chromosomal islands spread in nature.
Nat Commun, 10, 2019
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5WBN
 | | Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | 分子名称: | 3-(3-benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid, ACETATE ION, CHLORIDE ION, ... | | 著者 | Harding, R.J, Walker, J.R, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H. | | 登録日 | 2017-06-29 | | 公開日 | 2017-08-02 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Crystal structure of fragment 3-(3-Benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
To be published
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5C0S
 | | Crystal structure of a generation 4 influenza hemagglutinin stabilized stem in complex with the broadly neutralizing antibody CR6261 | | 分子名称: | CR6261 antibody heavy chain, CR6261 antibody light chain, Hemagglutinin, ... | | 著者 | Boyington, J.C, Kwong, P.D, Nabel, G.J, Mascola, J.R. | | 登録日 | 2015-06-12 | | 公開日 | 2015-09-02 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (4.3 Å) | | 主引用文献 | Hemagglutinin-stem nanoparticles generate heterosubtypic influenza protection.
Nat. Med., 21, 2015
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3R1A
 | | Closed crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene | | 分子名称: | (4-tert-butylphenyl)acetaldehyde, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R. | | 登録日 | 2011-03-09 | | 公開日 | 2011-05-11 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity.
Biochemistry, 50, 2011
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5W91
 | | Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118 | | 分子名称: | 1-tert-butyl-N~3~-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine, CALCIUM ION, Calmodulin-domain protein kinase 1 | | 著者 | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | | 登録日 | 2017-06-22 | | 公開日 | 2017-08-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118
To be published
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5W9R
 | | Toxoplasma Gondii CDPK1 in complex with inhibitor LJQ138 | | 分子名称: | 1-tert-butyl-3-[(1H-indol-3-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | | 著者 | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R. | | 登録日 | 2017-06-23 | | 公開日 | 2017-08-02 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Toxoplasma Gondii CDPK1 in complex with inhibitor LJQ138
To be published
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5WCG
 | | SET and MYND Domain Containing protein 2 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, N-lysine methyltransferase SMYD2, ... | | 著者 | Dong, A, Zeng, H, Walker, J.R, Hutch, A, Seitova, A, Tatlock, J, Kumpf, R, Owen, A, Taylor, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | | 登録日 | 2017-06-30 | | 公開日 | 2017-08-02 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | The crystal structure of SMYD2 in complex with compound MTF003
to be published
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6H48
 | | A polyamorous repressor: deciphering the evolutionary strategy used by the phage-inducible chromosomal islands to spread in nature. | | 分子名称: | Orf20 | | 著者 | Ciges-Tomas, J.R, Alite, C, Bowring, J.Z, Donderis, J, Penades, J.R, Marina, A. | | 登録日 | 2018-07-20 | | 公開日 | 2019-08-28 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The structure of a polygamous repressor reveals how phage-inducible chromosomal islands spread in nature.
Nat Commun, 10, 2019
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6H49
 | | A polyamorous repressor: deciphering the evolutionary strategy used by the phage-inducible chromosomal islands to spread in nature. | | 分子名称: | Orf20, SULFATE ION | | 著者 | Ciges-Tomas, J.R, Alite, C, Bowring, J.Z, Donderis, J, Penades, J.R, Marina, A. | | 登録日 | 2018-07-20 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The structure of a polygamous repressor reveals how phage-inducible chromosomal islands spread in nature.
Nat Commun, 10, 2019
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5WCI
 | | Human MYST histone acetyltransferase 1 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Histone acetyltransferase KAT8, ... | | 著者 | Dong, A, Zeng, H, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Zheng, Y.G, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | | 登録日 | 2017-06-30 | | 公開日 | 2017-07-26 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Human MYST histone acetyltransferase 1
to be published
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5WOG
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5WS5
 | | Native XFEL structure of photosystem II (preflash dark 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 | 2016-12-05 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.35 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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6A2W
 | | Crystal structure of fucoxanthin chlorophyll a/c complex from Phaeodactylum tricornutum | | 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-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | 著者 | Wang, W, Yu, L.J, Kuang, T.Y, Shen, J.R. | | 登録日 | 2018-06-13 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural basis for blue-green light harvesting and energy dissipation in diatoms.
Science, 363, 2019
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4DKR
 | | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AWS-I-169 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ... | | 著者 | Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. | | 登録日 | 2012-02-03 | | 公開日 | 2012-05-02 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors.
J.Med.Chem., 55, 2012
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5ZZN
 | | Crystal structure of photosystem II from an SQDG-deficient mutant of Thermosynechococcus elongatus | | 分子名称: | (3R)-beta,beta-caroten-3-ol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Nakajima, Y, Umena, Y, Nagao, R, Endo, K, Kobayashi, K, Akita, F, Suga, M, Wada, H, Noguchi, T, Shen, J.R. | | 登録日 | 2018-06-03 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Thylakoid membrane lipid sulfoquinovosyl-diacylglycerol (SQDG) is required for full functioning of photosystem II inThermosynechococcus elongatus.
J. Biol. Chem., 293, 2018
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8STH
 | | human STING with diABZI agonist 15 | | 分子名称: | 1-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazole-5-carboxamide, Stimulator of interferon genes protein | | 著者 | Duvall, J.R, Bukhalid, R.A. | | 登録日 | 2023-05-10 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Discovery and Optimization of a STING Agonist Platform for Application in Antibody Drug Conjugates.
J.Med.Chem., 66, 2023
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8SA2
 | | Adenosylcobalamin-bound riboswitch dimer, form 1 | | 分子名称: | Adenosylcobalamin, adenosylcobalamin riboswitch form 1 | | 著者 | Ding, J, Deme, J.C, Stagno, J.R, Yu, P, Lea, S.M, Wang, Y.X. | | 登録日 | 2023-03-31 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-10-25 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Capturing heterogeneous conformers of cobalamin riboswitch by cryo-EM.
Nucleic Acids Res., 51, 2023
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8SA4
 | | Adenosylcobalamin-bound riboswitch dimer, form 3 | | 分子名称: | Adenosylcobalamin, adenosylcobalamin riboswitch form 3 | | 著者 | Ding, J, Deme, J.C, Stagno, J.R, Yu, P, Lea, S.M, Wang, Y.X. | | 登録日 | 2023-03-31 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-10-25 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Capturing heterogeneous conformers of cobalamin riboswitch by cryo-EM.
Nucleic Acids Res., 51, 2023
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8SSU
 | | ZnFs 3-11 of CCCTC-binding factor (CTCF) Complexed with 19mer DNA | | 分子名称: | 1,2-ETHANEDIOL, DNA (19-MER) Strand I, DNA (19-MER) Strand II, ... | | 著者 | Horton, J.R, Yang, J, Cheng, X. | | 登録日 | 2023-05-08 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | Structures of CTCF-DNA complexes including all 11 zinc fingers.
Nucleic Acids Res., 51, 2023
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8SST
 | | ZnFs 1-7 of CCCTC-binding factor (CTCF) K365T Mutant Complexed with 23mer | | 分子名称: | 1,2-ETHANEDIOL, DNA Strand (23mer) I, DNA Strand (23mer) II, ... | | 著者 | Horton, J.R, Yang, J, Cheng, X. | | 登録日 | 2023-05-08 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Structures of CTCF-DNA complexes including all 11 zinc fingers.
Nucleic Acids Res., 51, 2023
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8S9M
 | | DNA cytosine-N4 methyltransferase (residues 79-324) from the Bdelloid rotifer Adineta vaga | | 分子名称: | 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN | | 著者 | Zhou, J, Horton, J.R, Cheng, X. | | 登録日 | 2023-03-29 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
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8SA3
 | | Adenosylcobalamin-bound riboswitch dimer, form 2 | | 分子名称: | Adenosylcobalamin, adenosylcobalamin riboswitch form 2 | | 著者 | Ding, J, Deme, J.C, Stagno, J.R, Yu, P, Lea, S.M, Wang, Y.X. | | 登録日 | 2023-03-31 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-10-25 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Capturing heterogeneous conformers of cobalamin riboswitch by cryo-EM.
Nucleic Acids Res., 51, 2023
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8SSS
 | | ZnFs 1-7 of CCCTC-binding factor (CTCF) Complexed with 23mer | | 分子名称: | 1,2-ETHANEDIOL, DNA Strand (23mer) I, DNA Strand (23mer) II, ... | | 著者 | Horton, J.R, Yang, J, Cheng, X. | | 登録日 | 2023-05-08 | | 公開日 | 2023-08-02 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structures of CTCF-DNA complexes including all 11 zinc fingers.
Nucleic Acids Res., 51, 2023
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