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7SQ8
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BU of 7sq8 by Molmil
Cryo-EM structure of mouse apo TRPML1 channel at 2.598 Angstrom resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-1, SODIUM ION
著者Gan, N, Han, Y, Jiang, Y.
登録日2021-11-04
公開日2022-02-02
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.598 Å)
主引用文献Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SQ9
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BU of 7sq9 by Molmil
Cryo-EM structure of mouse temsirolimus/PI(3,5)P2-bound TRPML1 channel at 2.11 Angstrom resolution
分子名称: (1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30S,34aS)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate, (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gan, N, Han, Y, Jiang, Y.
登録日2021-11-04
公開日2022-02-02
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.11 Å)
主引用文献Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SQ6
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BU of 7sq6 by Molmil
Cryo-EM structure of mouse agonist ML-SA1-bound TRPML1 channel at 2.32 Angstrom resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione, Mucolipin-1, ...
著者Gan, N, Han, Y, Jiang, Y.
登録日2021-11-04
公開日2022-02-02
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (2.32 Å)
主引用文献Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
4XAK
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BU of 4xak by Molmil
Crystal structure of potent neutralizing antibody m336 in complex with MERS Co-V RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Heavy chain of neutralizing antibody m336, ...
著者Zhou, T, Dimtrov, D.S, Ying, T.
登録日2014-12-15
公開日2015-08-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Junctional and allele-specific residues are critical for MERS-CoV neutralization by an exceptionally potent germline-like antibody.
Nat Commun, 6, 2015
8Z5E
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BU of 8z5e by Molmil
Crystal structure of beta-ketoacyl-ACP synthase FabF K336A in complex with octanoyl-ACP from Helicobacter pylori
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide, ...
著者Zhang, L, Huang, Y.Z.
登録日2024-04-18
公開日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The beta-Ketoacyl-ACP Synthase FabF Catalyzes Carbon-Carbon Bond Formation in a Bimodal Pattern for Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 2024
8Z5D
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BU of 8z5d by Molmil
Crystal structure of beta-ketoacyl-ACP synthase FabF K336A in complex with hexanoyl-ACP from Helicobacter pylori
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, HEXANOIC ACID, ...
著者Zhang, L, Huang, Y.Z.
登録日2024-04-18
公開日2024-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The beta-Ketoacyl-ACP Synthase FabF Catalyzes Carbon-Carbon Bond Formation in a Bimodal Pattern for Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 2024
8Z5F
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BU of 8z5f by Molmil
Crystal structure of beta-ketoacyl-ACP synthase FabF K336A in complex with decanoyl-ACP from Helicobacter pylori
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, DECANOIC ACID, ...
著者Zhang, L, Huang, Y.Z.
登録日2024-04-18
公開日2024-10-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The beta-Ketoacyl-ACP Synthase FabF Catalyzes Carbon-Carbon Bond Formation in a Bimodal Pattern for Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 2024
7SC5
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BU of 7sc5 by Molmil
Cytoplasmic tail deleted HIV Env trimer in nanodisc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
著者Yang, S, Walz, T.
登録日2021-09-27
公開日2022-11-09
最終更新日2023-02-22
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Dynamic HIV-1 spike motion creates vulnerability for its membrane-bound tripod to antibody attack.
Nat Commun, 13, 2022
7SD3
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BU of 7sd3 by Molmil
Cytoplasmic tail deleted HIV-1 Env bound with three 4E10 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4E10 Fab heavy chain, ...
著者Yang, S, Walz, T.
登録日2021-09-29
公開日2022-11-09
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Dynamic HIV-1 spike motion creates vulnerability for its membrane-bound tripod to antibody attack.
Nat Commun, 13, 2022
7BVC
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BU of 7bvc by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol
分子名称: 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2020-07-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BVF
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BU of 7bvf by Molmil
Cryo-EM structure of Mycobacterium tuberculosis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol
分子名称: CALCIUM ION, CARDIOLIPIN, Ethambutol, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BVE
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BU of 7bve by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbC2-AcpM2 in complex with ethambutol
分子名称: CALCIUM ION, Ethambutol, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BVG
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BU of 7bvg by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with di-arabinose.
分子名称: 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BVH
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BU of 7bvh by Molmil
Crystal structure of arabinosyltransferase EmbC2-AcpM2 complex from Mycobacterium smegmatis complexed with di-arabinose
分子名称: CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, Meromycolate extension acyl carrier protein, ...
著者Zhao, Y, Zhang, L, Wu, L.J, Wang, Q, Li, J, Besra, G.S, Rao, Z.H.
登録日2020-04-10
公開日2020-04-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BYR
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BU of 7byr by Molmil
BD23-Fab in complex with the S ectodomain trimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab23-Fab-Heavy Chain, ...
著者Zhu, Q, Wang, G, Xiao, J.
登録日2020-04-24
公開日2020-06-10
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献Potent Neutralizing Antibodies against SARS-CoV-2 Identified by High-Throughput Single-Cell Sequencing of Convalescent Patients' B Cells.
Cell, 182, 2020
5XHS
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BU of 5xhs by Molmil
Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA
分子名称: (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid, 7-AMINO-4-METHYL-CHROMEN-2-ONE, NAD-dependent protein deacylase sirtuin-5, ...
著者Yu, Y, Li, B, Chen, Q.
登録日2017-04-24
公開日2018-05-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design
Rsc Adv, 7, 2017
7S0J
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BU of 7s0j by Molmil
Crystal structure of Epstein-Barr virus gH/gL targeting antibody 769B10
分子名称: 769B10 Fab Heavy chain, 769B10 Fab Light chain, GLYCEROL
著者Chen, W.-H, Kanekiyo, M, Cohen, J.I, Joyce, M.G.
登録日2021-08-30
公開日2022-11-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Epstein-Barr virus gH/gL has multiple sites of vulnerability for virus neutralization and fusion inhibition.
Immunity, 55, 2022
7S08
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BU of 7s08 by Molmil
Crystal structure of Epstein-Barr virus gH/gL targeting antibody 770F7
分子名称: 770F7 Fab Heavy chain, 770F7 Fab Light chain, GLYCEROL
著者Chen, W.-H, Joyce, M.G.
登録日2021-08-30
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Epstein-Barr virus gH/gL has multiple sites of vulnerability for virus neutralization and fusion inhibition.
Immunity, 55, 2022
7S1B
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BU of 7s1b by Molmil
Crystal structure of Epstein-Barr virus glycoproteins gH/gL/gp42-peptide in complex with human neutralizing antibodies 769C2 and 770F7
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 769C2 Fab heavy chain, 769C2 Fab light chain, ...
著者Chen, W.-H, Cohen, J.I, Kanekiyo, M, Joyce, M.G.
登録日2021-09-02
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Epstein-Barr virus gH/gL has multiple sites of vulnerability for virus neutralization and fusion inhibition.
Immunity, 55, 2022
7S07
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BU of 7s07 by Molmil
Crystal structure of Epstein-Barr virus glycoprotein gH/gL/gp42-peptide in complex with human neutralizing antibodies 769B10 and 769C2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 769B10 Fab heavy chain, 769B10 Fab light chain, ...
著者Chen, W.-H, Kanekiyo, M, Cohen, J.I, Joyce, M.G.
登録日2021-08-30
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Epstein-Barr virus gH/gL has multiple sites of vulnerability for virus neutralization and fusion inhibition.
Immunity, 55, 2022
7L3N
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BU of 7l3n by Molmil
SARS-CoV 2 Spike Protein bound to LY-CoV555
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LY-CoV555 Fab heavy chain, ...
著者Goldsmith, J.A, McLellan, J.S.
登録日2020-12-18
公開日2021-02-03
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献LY-CoV555, a rapidly isolated potent neutralizing antibody, provides protection in a non-human primate model of SARS-CoV-2 infection.
Biorxiv, 2020
5OPB
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BU of 5opb by Molmil
Structure of CHK1 10-pt. mutant complex with indazole LRRK2 inhibitor
分子名称: (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, CHLORIDE ION, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-09
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
5OQ8
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BU of 5oq8 by Molmil
Structure of CHK1 12-pt. mutant complex with arylbenzamide LRRK2 inhibitor
分子名称: 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide, Serine/threonine-protein kinase Chk1
著者Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E.
登録日2017-08-10
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
6QHA
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BU of 6qha by Molmil
Crystal Structure of Human Kallikrein 6 in complex with GSK3205388B
分子名称: GLYCEROL, Kallikrein-6, UNKNOWN ATOM OR ION, ...
著者Thorpe, J.H.
登録日2019-01-16
公開日2019-02-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg. Med. Chem. Lett., 29, 2019
6QFF
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Crystal Structure of Human Kallikrein 6 in complex with GSK144
分子名称: 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, Kallikrein-6
著者Thorpe, J.H.
登録日2019-01-10
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Acta Crystallogr.,Sect.F, 75, 2019

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