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6REN
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BU of 6ren by Molmil
Crystal structure of 3fPizza6-SH with Zn2+
分子名称: 3fPizza6-SH, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D.
登録日2019-04-12
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Artificial beta-propeller protein-based hydrolases.
Chem.Commun.(Camb.), 55, 2019
6BMT
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BU of 6bmt by Molmil
Crystal Structure of a Recombinant form of Human Myeloperoxidase Bound to an Inhibitor from Staphylococcus delphini
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Ploscariu, N.T, Geisbrecht, B.V.
登録日2017-11-15
公開日2018-01-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Identification and structural characterization of a novel myeloperoxidase inhibitor from Staphylococcus delphini.
Arch. Biochem. Biophys., 645, 2018
8ER6
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BU of 8er6 by Molmil
FKBP12-FRB in Complex with Compound 11
分子名称: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1,2-ETHANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
著者Tomlinson, A.C.A, Yano, J.K.
登録日2022-10-11
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
8ER7
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BU of 8er7 by Molmil
FKBP12-FRB in Complex with Compound 12
分子名称: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
著者Tomlinson, A.C.A, Yano, J.K.
登録日2022-10-11
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
6REH
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BU of 6reh by Molmil
Crystal structure of Pizza6-S with Cu2+
分子名称: COPPER (II) ION, GLYCEROL, Pizza6-S, ...
著者Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D.
登録日2019-04-12
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Artificial beta-propeller protein-based hydrolases.
Chem.Commun.(Camb.), 55, 2019
6REJ
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BU of 6rej by Molmil
Crystal structure of Pizza6-SH with Zn2+
分子名称: Pizza6-SH, SULFATE ION, ZINC ION
著者Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D.
登録日2019-04-12
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Artificial beta-propeller protein-based hydrolases.
Chem.Commun.(Camb.), 55, 2019
6UW6
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BU of 6uw6 by Molmil
Cryo-EM structure of the human TRPV3 K169A mutant determined in lipid nanodisc
分子名称: Transient receptor potential cation channel subfamily V member 3, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Deng, Z, Yuan, P.
登録日2019-11-04
公開日2020-07-01
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Gating of human TRPV3 in a lipid bilayer.
Nat.Struct.Mol.Biol., 27, 2020
6UW9
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BU of 6uw9 by Molmil
Cryo-EM structure of the human TRPV3 K169A mutant in the presence of 2-APB, determined in lipid nanodisc
分子名称: Transient receptor potential cation channel subfamily V member 3
著者Deng, Z, Yuan, P.
登録日2019-11-04
公開日2020-07-01
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.33 Å)
主引用文献Gating of human TRPV3 in a lipid bilayer.
Nat.Struct.Mol.Biol., 27, 2020
8CXJ
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BU of 8cxj by Molmil
The IgI3 domain of R28 protein from S. pyogenes bound to CEACAM1
分子名称: CHLORIDE ION, Carcinoembryonic antigen-related cell adhesion molecule 1, GLYCEROL, ...
著者Bonsor, D.A, McCarthy, A.J.
登録日2022-05-21
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Human CEACAM1 is targeted by a Streptococcus pyogenes adhesin implicated in puerperal sepsis pathogenesis.
Nat Commun, 14, 2023
6VDA
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BU of 6vda by Molmil
Metal-bound C-terminal domain of CzcD transporter from Thermotoga maritima
分子名称: SULFATE ION, ZINC ION, ZT_dimer domain-containing protein
著者Maher, M.J.
登録日2019-12-23
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and functional characterizations of the C-terminal domains of CzcD proteins.
J.Inorg.Biochem., 208, 2020
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
6UW8
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BU of 6uw8 by Molmil
Cryo-EM structure of the human TRPV3 K169A mutant briefly exposed to 2-APB for 3 minutes, determined in lipid nanodisc
分子名称: Transient receptor potential cation channel subfamily V member 3
著者Deng, Z, Yuan, P.
登録日2019-11-04
公開日2020-07-01
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.02 Å)
主引用文献Gating of human TRPV3 in a lipid bilayer.
Nat.Struct.Mol.Biol., 27, 2020
6UZY
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BU of 6uzy by Molmil
Cryo-EM structure of Xenopus tropicalis pannexin 1
分子名称: HEXADECANE, Pannexin, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Deng, Z, He, Z, Yuan, P.
登録日2019-11-15
公開日2020-04-01
最終更新日2020-04-22
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Cryo-EM structures of the ATP release channel pannexin 1.
Nat.Struct.Mol.Biol., 27, 2020
6RTN
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BU of 6rtn by Molmil
Crystal structure of OXA-10 with VNRX-5133
分子名称: (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Beta-lactamase OXA-10, CHLORIDE ION
著者Brem, J, Schofield, C.
登録日2019-05-24
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases.
J.Med.Chem., 62, 2019
8F35
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BU of 8f35 by Molmil
Apo ELIC in spMSP1D1 nanodiscs with 2:1:1 POPC:POPE:POPG
分子名称: Erwinia chrysanthemi ligand-gated ion channel
著者Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L.
登録日2022-11-09
公開日2023-11-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel.
Nat Commun, 15, 2024
8F34
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BU of 8f34 by Molmil
ELIC with Propylamine in spMSP1D1 nanodiscs with 2:1:1 POPC:POPE:POPG
分子名称: 3-AMINOPROPANE, Erwinia chrysanthemi ligand-gated ion channel
著者Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L.
登録日2022-11-09
公開日2023-11-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel.
Nat Commun, 15, 2024
8F33
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BU of 8f33 by Molmil
ELIC with Propylamine in saposin nanodiscs with 2:1:1 POPC:POPE:POPG
分子名称: 3-AMINOPROPANE, Erwinia chrysanthemi ligand-gated ion channel
著者Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L.
登録日2022-11-09
公開日2023-11-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel.
Nat Commun, 15, 2024
8F32
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ELIC with Propylamine in SMA nanodiscs with 2:1:1 POPC:POPE:POPG
分子名称: 3-AMINOPROPANE, Erwinia chrysanthemi ligand-gated ion channel
著者Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L.
登録日2022-11-09
公開日2023-11-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.71 Å)
主引用文献Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel.
Nat Commun, 15, 2024
6VD8
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BU of 6vd8 by Molmil
Metal-bound C-terminal domain of CzcD transporter from Pseudomonas aeruginosa
分子名称: Probable cation efflux system protein, ZINC ION
著者Maher, M.J.
登録日2019-12-23
公開日2020-06-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and functional characterizations of the C-terminal domains of CzcD proteins.
J.Inorg.Biochem., 208, 2020
6V3P
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BU of 6v3p by Molmil
The BIgI domain of beta protein from S. agalactiae bound to CEACAM1
分子名称: Carcinoembryonic antigen-related cell adhesion molecule 1, GLYCEROL, IgA FC receptor, ...
著者Bonsor, D.A, McCarthy, A.J.
登録日2019-11-26
公開日2020-12-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Bacterial protein domains with a novel Ig-like fold target human CEACAM receptors.
Embo J., 40, 2021
6V6D
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BU of 6v6d by Molmil
Cryo-EM structure of human pannexin 1
分子名称: Pannexin-1
著者Deng, Z, He, Z, Yuan, P.
登録日2019-12-05
公開日2020-04-01
最終更新日2020-04-22
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Cryo-EM structures of the ATP release channel pannexin 1.
Nat.Struct.Mol.Biol., 27, 2020
6AZP
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A Structurally Dynamic N-terminal Region Drives Function of the Staphylococcal Peroxidase Inhibitor (SPIN)
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, CALCIUM ION, ...
著者Ramyar, K.X, Geisbrecht, B.V.
登録日2017-09-11
公開日2017-12-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.291 Å)
主引用文献A structurally dynamic N-terminal region drives function of the staphylococcal peroxidase inhibitor (SPIN).
J. Biol. Chem., 293, 2018
6VD9
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BU of 6vd9 by Molmil
Metal-bound C-terminal domain of the CzcD transporter from Cuprividus metallidurans
分子名称: Metal cation efflux system protein CzcD, NICKEL (II) ION
著者Maher, M.J.
登録日2019-12-23
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and functional characterizations of the C-terminal domains of CzcD proteins.
J.Inorg.Biochem., 208, 2020
8FPT
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STRUCTURE OF ALPHA-SYNUCLEIN FIBRILS DERIVED FROM HUMAN LEWY BODY DEMENTIA TISSUE
分子名称: Alpha-synuclein
著者Barclay, A.M, Dhavale, D.D, Borcik, C.G, Rau, M.J, Basore, K, Milchberg, M.H, Warmuth, O.A, Kotzbauer, P.T, Rienstra, C.M, Schwieters, C.D.
登録日2023-01-05
公開日2023-02-22
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Structure of alpha-synuclein fibrils derived from human Lewy body dementia tissue.
Biorxiv, 2023
8F7C
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BU of 8f7c by Molmil
Cryo-EM structure of human pannexin 2
分子名称: Pannexin-2, Soluble cytochrome b562 fusion
著者He, Z, Yuan, P.
登録日2022-11-18
公開日2023-04-05
実験手法ELECTRON MICROSCOPY (3.92 Å)
主引用文献Structural and functional analysis of human pannexin 2 channel.
Nat Commun, 14, 2023

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