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8GGX
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BU of 8ggx by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #16 of 20)
分子名称: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
著者Papasergi-Scott, M.M, Skiniotis, G.
登録日2023-03-08
公開日2024-03-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GGY
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BU of 8ggy by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #17 of 20)
分子名称: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
著者Papasergi-Scott, M.M, Skiniotis, G.
登録日2023-03-08
公開日2024-03-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
7E25
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BU of 7e25 by Molmil
Crystal structure of human FABP7 complexed with palmitic acid
分子名称: Fatty acid-binding protein, brain, GLYCEROL, ...
著者Nam, K.H.
登録日2021-02-04
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of human brain-type fatty acid-binding protein FABP7 complexed with palmitic acid.
Acta Crystallogr D Struct Biol, 77, 2021
8GGW
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BU of 8ggw by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #15 of 20)
分子名称: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
著者Papasergi-Scott, M.M, Skiniotis, G.
登録日2023-03-08
公開日2024-03-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GGZ
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BU of 8ggz by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #18 of 20)
分子名称: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
著者Papasergi-Scott, M.M, Skiniotis, G.
登録日2023-03-08
公開日2024-03-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GH0
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BU of 8gh0 by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #19 of 20)
分子名称: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
著者Papasergi-Scott, M.M, Skiniotis, G.
登録日2023-03-08
公開日2024-03-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8GH1
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BU of 8gh1 by Molmil
Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #20 of 20)
分子名称: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor
著者Papasergi-Scott, M.M, Skiniotis, G.
登録日2023-03-08
公開日2024-03-06
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
7D04
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BU of 7d04 by Molmil
Lysozyme structure SS3 from SS mode
分子名称: Lysozyme C
著者Kang, H.S, Lee, S.J.
登録日2020-09-09
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献High-brightness self-seeded X-ray free-electron laser covering the 3.5 keV to 14.6 keV range
Nat Photonics, 2021
5URT
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BU of 5urt by Molmil
Insulin with proline analog DhP at position B28 in the T2 state
分子名称: Insulin Chain A, Insulin Chain B, SODIUM ION
著者Lieblich, S.A, Fang, K.Y, Tirrell, D.A.
登録日2017-02-12
公開日2018-02-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Insulin with proline analog DhP at position B28 in the T2 state
To Be Published
7D05
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BU of 7d05 by Molmil
Lysozyme structure SASE3 from SASE mode
分子名称: Lysozyme C
著者Kang, H.S, Lee, S.J.
登録日2020-09-09
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献High-brightness self-seeded X-ray free-electron laser covering the 3.5 keV to 14.6 keV range
Nat Photonics, 2021
7KH5
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BU of 7kh5 by Molmil
Hen Egg White Lysozyme in complex with tetrabromoterephthalic acid
分子名称: 2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid, Lysozyme C
著者Truong, J, Nguyen, S.
登録日2020-10-20
公開日2021-04-28
最終更新日2021-05-19
実験手法X-RAY DIFFRACTION (1.295 Å)
主引用文献Simplified heavy-atom derivatization of protein structures via co-crystallization with the MAD tetragon tetrabromoterephthalic acid.
Acta Crystallogr.,Sect.F, 77, 2021
6LOS
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BU of 6los by Molmil
Crystal structure of mouse PEDF in complex with heterotrimeric collagen model peptide.
分子名称: Collagen model peptide, type I, alpha 1, ...
著者Kawahara, K, Maruno, T, Oki, H, Yoshida, T, Ohkubo, T, Koide, T, Kobayashi, Y.
登録日2020-01-07
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.476 Å)
主引用文献Spatiotemporal regulation of PEDF signaling by type I collagen remodeling.
Proc.Natl.Acad.Sci.USA, 117, 2020
8GC6
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BU of 8gc6 by Molmil
1.30 Angstroem crystal structure of the N-terminal domain of BqsR from Pseudomonas aeruginosa
分子名称: Response regulator protein CarR
著者Paredes, A, Smith, A.T.
登録日2023-03-01
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献1.30 Angstroem crystal structure of the N-terminal domain of BqsR from Pseudomonas aeruginosa
To Be Published
7D5A
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BU of 7d5a by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(9S)-7-amino-2,2-difluoro-9-(prop-1-yn-1-yl)-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
著者Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
登録日2020-09-25
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
6EIJ
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BU of 6eij by Molmil
DYRK1A in complex with HG-8-60-1
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[5-[3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
5UU1
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BU of 5uu1 by Molmil
Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to BI-D1870
分子名称: (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase VRK2
著者Counago, R.M, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2017-02-15
公開日2017-03-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
5ZN3
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BU of 5zn3 by Molmil
X-ray structure of protein kinase ck2 alpha subunit H148S mutant
分子名称: Casein kinase II subunit alpha, SULFATE ION
著者Shibazaki, C, Arai, S, Shimizu, R, Kinoshita, T, Kuroki, R, Adachi, M.
登録日2018-04-07
公開日2018-11-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Hydration Structures of the Human Protein Kinase CK2 alpha Clarified by Joint Neutron and X-ray Crystallography.
J. Mol. Biol., 430, 2018
7KZI
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BU of 7kzi by Molmil
Intermediate state (QQQ) of near full-length DnaK alternatively fused with a substrate peptide
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Chaperone protein DnaK fused with substrate peptide,Chaperone protein DnaK fused with substrate peptide, ...
著者Wang, W, Hendrickson, W.A.
登録日2020-12-10
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Intermediates in allosteric equilibria of DnaK-ATP interactions with substrate peptides
Acta Crystallogr.,Sect.D, 77, 2021
7D02
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BU of 7d02 by Molmil
Lysozyme structure SASE2 from SASE mode
分子名称: Lysozyme C
著者Kang, H.S, Lee, S.J.
登録日2020-09-09
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献High-brightness self-seeded X-ray free-electron laser covering the 3.5 keV to 14.6 keV range
Nat Photonics, 2021
6EIF
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BU of 6eif by Molmil
DYRK1A in complex with XMD7-117
分子名称: 4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Rothweiler, U.
登録日2017-09-19
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
7D01
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BU of 7d01 by Molmil
Lysozyme structure SS2 from SS mode
分子名称: Lysozyme C
著者Kang, H.S, Lee, S.J.
登録日2020-09-09
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献High-brightness self-seeded X-ray free-electron laser covering the 3.5 keV to 14.6 keV range
Nat Photonics, 2021
7D5U
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BU of 7d5u by Molmil
BACE2 xaperone complex with N-{3-[(9S)-7-amino-2,2-difluoro-9-(prop-1-yn-1-yl)-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
分子名称: Beta-secretase 2, N-[3-[(9S)-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide, xaperone
著者Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
登録日2020-09-28
公開日2021-03-31
最終更新日2021-04-07
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
7D2X
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BU of 7d2x by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(4R)-2-amino-4-(prop-1-yn-1-yl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
著者Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
登録日2020-09-17
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
7KZU
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BU of 7kzu by Molmil
Quasi-intermediate state (Q) of a truncated Hsp70 DnaK fused with a substrate peptide
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK fused with substrate peptide,Chaperone protein DnaK fused with substrate peptide, GLYCEROL, ...
著者Wang, W, Hendrickson, W.A.
登録日2020-12-10
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Intermediates in allosteric equilibria of DnaK-ATP interactions with substrate peptides
Acta Crystallogr.,Sect.D, 77, 2021
7D2V
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BU of 7d2v by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-5,6-dihydro-2H-1lambda6,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
著者Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
登録日2020-09-17
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021

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件を2024-08-07に公開中

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