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7B1G
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TRPC4 in complex with Calmodulin
分子名称: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, CALCIUM ION, Calmodulin-1, ...
著者Vinayagam, D, Quentin, D, Sistel, O, Merino, F, Stabrin, M, Hofnagel, O, Ledeboer, M.W, Malojcic, G, Raunser, S.
登録日2020-11-24
公開日2020-12-09
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis of TRPC4 regulation by calmodulin and pharmacological agents.
Elife, 9, 2020
7B1E
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BACE1 IN COMPLEX WITH compound 3 (NB-641)
分子名称: Beta-secretase 1, ~{N}-[3-[(4~{S})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide
著者Rondeau, J.M, Wirth, E.
登録日2020-11-24
公開日2021-04-28
最終更新日2021-05-05
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Synthesis of the Potent, Selective, and Efficacious beta-Secretase (BACE1) Inhibitor NB-360.
J.Med.Chem., 64, 2021
7KU0
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Data clustering and dynamics of chymotrypsinogen cluster 138 (yellow) structure
分子名称: Chymotrypsinogen A, SULFATE ION
著者Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J.
登録日2020-11-24
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
7KU2
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Data clustering and dynamics of chymotrypsinogen clulster 140 (structure)
分子名称: Chymotrypsinogen A, SULFATE ION
著者Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J.
登録日2020-11-24
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.185 Å)
主引用文献A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
7KU3
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Data clustering and dynamics of chymotrypsinogen cluster 141 (cyan) structure
分子名称: Chymotrypsinogen A, SULFATE ION
著者Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J.
登録日2020-11-24
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
7KU1
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Data clustering and dynamics of chymotrypsinogen cluster 139 (green) structure
分子名称: Chymotrypsinogen A, SULFATE ION
著者Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J.
登録日2020-11-24
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
7KTZ
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Data clustering and dynamics of chymotrypsinogen cluster 131 (purple) structure
分子名称: Chymotrypsinogen A, SULFATE ION
著者Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J.
登録日2020-11-24
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
7KTY
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Data clustering and dynamics of chymotrypsinogen average structure
分子名称: Chymotrypsinogen A, SULFATE ION
著者Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Shi, W, Sweet, R.M, Soares, A.S, Bernstein, H.J.
登録日2020-11-24
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
7KUE
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CryoEM structure of Yeast TFIIK (Kin28/Ccl1/Tfb3) Complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Cyclin CCL1, ...
著者van Eeuwen, T, Murakami, K, Li, T, Tsai, K.L.
登録日2020-11-24
公開日2021-04-28
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of TFIIK for phosphorylation of CTD of RNA polymerase II.
Sci Adv, 7, 2021
7DKF
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Activity optimized supercomplex state4
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Jeon, T.J, Lee, S.G, Yoo, S.H, Ryu, J.H, Kim, D.S, Hyun, J.K, Kim, H.M, Ryu, S.E.
登録日2020-11-24
公開日2022-05-18
実験手法ELECTRON MICROSCOPY (8.3 Å)
主引用文献A Dynamic Substrate Pool Revealed by cryo-EM of a Lipid-Preserved Respiratory Supercomplex.
Antioxid.Redox Signal., 2022
7B16
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TRPC4 in complex with inhibitor GFB-9289
分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, 5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{H}-pyridazin-6-one, CALCIUM ION, ...
著者Vinayagam, D, Quentin, D, Sistel, O, Merino, F, Stabrin, M, Hofnagel, O, Ledeboer, M.W, Malojcic, G, Raunser, S.
登録日2020-11-23
公開日2020-12-09
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Structural basis of TRPC4 regulation by calmodulin and pharmacological agents.
Elife, 9, 2020
7B0Y
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Structure of a transcribing RNA polymerase II-U1 snRNP complex
分子名称: 145-nt RNA, DNA-directed RNA polymerase II subunit D, DNA-directed RNA polymerase II subunit E, ...
著者Zhang, S, Aibara, S, Vos, S.M, Agafonov, D.E, Luehrmann, R, Cramer, P.
登録日2020-11-23
公開日2021-01-13
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure of a transcribing RNA polymerase II-U1 snRNP complex.
Science, 371, 2021
7KSK
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Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
分子名称: 4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
著者Park, H.
登録日2020-11-23
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7KSJ
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Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
分子名称: 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
著者Park, H.
登録日2020-11-23
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7KSI
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BU of 7ksi by Molmil
Thiophenyl-Pyrazolourea Derivatives as Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
分子名称: 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-5-methyl-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
著者Park, H.
登録日2020-11-23
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.726 Å)
主引用文献Thiophene-Pyrazolourea Derivatives as Potent, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7KSL
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Substrate-free human mitochondrial LONP1
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
著者Shin, M, Watson, E.R, Song, A.S, Mindrebo, J.T, Novick, S.R, Griffin, P, Wiseman, R.L, Lander, G.C.
登録日2020-11-23
公開日2020-12-09
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structures of the human LONP1 protease reveal regulatory steps involved in protease activation.
Nat Commun, 12, 2021
7KSM
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Human mitochondrial LONP1 with endogenous substrate
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Lon protease homolog, ...
著者Shin, M, Watson, E.R, Song, A.S, Mindrebo, J.T, Novick, S.R, Griffin, P, Wiseman, R.L, Lander, G.C.
登録日2020-11-23
公開日2020-12-02
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of the human LONP1 protease reveal regulatory steps involved in protease activation.
Nat Commun, 12, 2021
7B0S
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TRPC4 in complex with inhibitor GFB-8438
分子名称: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, 5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1~{H}-pyridazin-6-one, CALCIUM ION, ...
著者Vinayagam, D, Quentin, D, Sistel, O, Merino, F, Stabrin, M, Hofnagel, O, Ledeboer, M.W, Malojcic, G, Raunser, S.
登録日2020-11-21
公開日2020-12-09
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis of TRPC4 regulation by calmodulin and pharmacological agents.
Elife, 9, 2020
7KSA
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Crystal structure of human CYP3A4 with the caged inhibitor
分子名称: (tert-butyl {1-[(1-oxo-3-phenyl-1-{[3-(pyridin-3-yl-kappaN)prop-1-en-1-yl]amino}propan-2-yl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sevrioukova, I.S.
登録日2020-11-21
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Photosensitive Ru(II) Complexes as Inhibitors of the Major Human Drug Metabolizing Enzyme CYP3A4.
J.Am.Chem.Soc., 143, 2021
7KS8
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Crystal structure of human CYP3A4 with the caged inhibitor
分子名称: (tert-butyl {1-[(3-oxo-3-{[(pyridin-3-yl-kappaN)methyl]amino}propyl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium, Cytochrome P450 3A4, GLYCEROL, ...
著者Sevrioukova, I.S.
登録日2020-11-21
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Photosensitive Ru(II) Complexes as Inhibitors of the Major Human Drug Metabolizing Enzyme CYP3A4.
J.Am.Chem.Soc., 143, 2021
7KSE
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Crystal structure of Prototype Foamy Virus Protease-Reverse Transcriptase CSH mutant (selenomethionine-labeled)
分子名称: CALCIUM ION, Peptidase A9/Reverse transcriptase/RNase H
著者Harrison, J.J.E.K, Das, K, Ruiz, F.X, Arnold, E.
登録日2020-11-21
公開日2021-08-11
最終更新日2021-09-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of a Retroviral Polyprotein: Prototype Foamy Virus Protease-Reverse Transcriptase (PR-RT).
Viruses, 13, 2021
7KSF
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Crystal structure of Prototype Foamy Virus Protease-Reverse Transcriptase (native)
分子名称: CALCIUM ION, Protease/Reverse transcriptase/ribonuclease H
著者Harrison, J.J.E.K, Das, K, Ruiz, F.X, Arnold, E.
登録日2020-11-21
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of a Retroviral Polyprotein: Prototype Foamy Virus Protease-Reverse Transcriptase (PR-RT).
Viruses, 13, 2021
7DJO
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BU of 7djo by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 17
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-20
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7B0J
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TRPC4 in LMNG detergent
分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CALCIUM ION, Transient receptor potential cation channel subfamily c member 4a
著者Vinayagam, D, Quentin, D, Sistel, O, Merino, F, Stabrin, M, Hofnagel, O, Ledeboer, M.W, Malojcic, G, Raunser, S.
登録日2020-11-20
公開日2020-12-09
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Structural basis of TRPC4 regulation by calmodulin and pharmacological agents.
Elife, 9, 2020
7KRZ
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Human mitochondrial LONP1 in complex with Bortezomib
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Endogenous co-purified substrate, ...
著者Shin, M, Watson, E.R, Song, A.S, Mindrebo, J.T, Novick, S.R, Griffin, P, Wiseman, R.L, Lander, G.C.
登録日2020-11-20
公開日2021-02-24
最終更新日2022-06-15
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of the human LONP1 protease reveal regulatory steps involved in protease activation.
Nat Commun, 12, 2021

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件を2024-07-10に公開中

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