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6TVX
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BU of 6tvx by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with PSB12676 (an AOPCP derivative, compound 9 in paper) in the closed state
分子名称: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
著者Pippel, J, Strater, N.
登録日2020-01-10
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
6TVE
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BU of 6tve by Molmil
Unliganded human CD73 (5'-nucleotidase) in the open state
分子名称: 5'-nucleotidase, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Scaletti, E, Strater, N.
登録日2020-01-09
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
8DEP
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BU of 8dep by Molmil
Cryo-EM structure of the human reduced folate carrier, apo condition
分子名称: Digitonin, Reduced folate transporter,Soluble cytochrome b562
著者Wright, N.J, Fedor, J.G, Lee, S.-Y.
登録日2022-06-21
公開日2022-09-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Methotrexate recognition by the human reduced folate carrier SLC19A1.
Nature, 609, 2022
8E4O
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BU of 8e4o by Molmil
The closed C1-state mouse TRPM8 structure in complex with putative PI(4,5)P2
分子名称: Transient receptor potential cation channel subfamily M member 8, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
著者Yin, Y, Zhang, F, Feng, S, Butay, K.J, Borgnia, M.J, Im, W, Lee, S.-Y.
登録日2022-08-18
公開日2022-10-26
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献Activation mechanism of the mouse cold-sensing TRPM8 channel by cooling agonist and PIP 2.
Science, 378, 2022
8E4N
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BU of 8e4n by Molmil
The closed C1-state mouse TRPM8 structure in complex with PI(4,5)P2
分子名称: Transient receptor potential cation channel subfamily M member 8, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
著者Yin, Y, Zhang, F, Feng, S, Butay, K.J, Borgnia, M.J, Im, W, Lee, S.-Y.
登録日2022-08-18
公開日2022-10-26
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Activation mechanism of the mouse cold-sensing TRPM8 channel by cooling agonist and PIP 2.
Science, 378, 2022
8E4L
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BU of 8e4l by Molmil
The open state mouse TRPM8 structure in complex with the cooling agonist C3, AITC, and PI(4,5)P2
分子名称: 3-isothiocyanatoprop-1-ene, CALCIUM ION, Transient receptor potential cation channel subfamily M member 8, ...
著者Yin, Y, Zhang, F, Feng, S, Butay, K.J, Borgnia, M.J, Im, W, Lee, S.-Y.
登録日2022-08-18
公開日2022-10-26
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Activation mechanism of the mouse cold-sensing TRPM8 channel by cooling agonist and PIP 2.
Science, 378, 2022
8E4Q
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BU of 8e4q by Molmil
The closed C0-state flycatcher TRPM8 structure in complex with PI(4,5)P2
分子名称: Transient receptor potential cation channel subfamily M member 8, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
著者Yin, Y, Zhang, F, Feng, S, Butay, K.J, Borgnia, M.J, Im, W, Lee, S.-Y.
登録日2022-08-18
公開日2022-10-26
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献Activation mechanism of the mouse cold-sensing TRPM8 channel by cooling agonist and PIP 2.
Science, 378, 2022
8E4P
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BU of 8e4p by Molmil
Mouse TRPM8 structure determined in the ligand- and PI(4,5)P2-free condition, Class I , C0 state
分子名称: CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 8
著者Yin, Y, Zhang, F, Feng, S, Butay, K.J, Borgnia, M.J, Im, W, Lee, S.-Y.
登録日2022-08-18
公開日2022-10-26
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Activation mechanism of the mouse cold-sensing TRPM8 channel by cooling agonist and PIP 2.
Science, 378, 2022
8E4M
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BU of 8e4m by Molmil
The intermediate C2-state mouse TRPM8 structure in complex with the cooling agonist C3 and PI(4,5)P2
分子名称: CALCIUM ION, Transient receptor potential cation channel subfamily M member 8, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ...
著者Yin, Y, Zhang, F, Feng, S, Butay, K.J, Borgnia, M.J, Im, W, Lee, S.-Y.
登録日2022-08-18
公開日2022-10-26
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Activation mechanism of the mouse cold-sensing TRPM8 channel by cooling agonist and PIP 2.
Science, 378, 2022
4PD6
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BU of 4pd6 by Molmil
Crystal structure of vcCNT-7C8C bound to uridine
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, SODIUM ION, ...
著者Johnson, Z.L, Lee, S.-Y.
登録日2014-04-17
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PD8
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BU of 4pd8 by Molmil
Structure of vcCNT-7C8C bound to pyrrolo-cytidine
分子名称: 6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ...
著者Johnson, Z.L, Lee, S.-Y.
登録日2014-04-17
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PB1
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BU of 4pb1 by Molmil
Structure of vcCNT-7C8C bound to ribavirin
分子名称: 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ...
著者Johnson, Z.L, Lee, S.-Y.
登録日2014-04-11
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PD5
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BU of 4pd5 by Molmil
Crystal structure of vcCNT-7C8C bound to gemcitabine
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, GEMCITABINE, NupC family protein, ...
著者Johnson, Z.L, Lee, S.-Y.
登録日2014-04-17
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.906 Å)
主引用文献Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PDA
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BU of 4pda by Molmil
Structure of vcCNT-7C8C bound to cytidine
分子名称: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ...
著者Johnson, Z.L, Lee, S.-Y.
登録日2014-04-17
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.608 Å)
主引用文献Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PD9
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BU of 4pd9 by Molmil
Structure of vcCNT-7C8C bound to adenosine
分子名称: ADENOSINE, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ...
著者Johnson, Z.L, Lee, S.-Y.
登録日2014-04-17
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.096 Å)
主引用文献Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PB2
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BU of 4pb2 by Molmil
Structure of vcCNT-7C8C bound to 5-fluorouridine
分子名称: 5-FLUOROURIDINE, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ...
著者Johnson, Z.L, Lee, S.-Y.
登録日2014-04-11
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PD7
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BU of 4pd7 by Molmil
Structure of vcCNT bound to zebularine
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, SODIUM ION, ...
著者Johnson, Z.L, Lee, S.-Y.
登録日2014-04-17
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.909 Å)
主引用文献Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
6NC6
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BU of 6nc6 by Molmil
Lipid II flippase MurJ, inward closed conformation
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Lipid II flippase MurJ, ...
著者Kuk, A.C.Y, Lee, S.-Y.
登録日2018-12-10
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Visualizing conformation transitions of the Lipid II flippase MurJ.
Nat Commun, 10, 2019
6CSN
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BU of 6csn by Molmil
Crystal structure of the designed light-gated anion channel iC++ at pH8.5
分子名称: CHLORIDE ION, OLEIC ACID, RETINAL, ...
著者Kato, H.E, Kim, Y, Yamashita, K, Kobilka, B.K, Deisseroth, K.
登録日2018-03-21
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural mechanisms of selectivity and gating in anion channelrhodopsins.
Nature, 561, 2018
6NC7
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BU of 6nc7 by Molmil
Lipid II flippase MurJ, inward open conformation
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Lipid II flippase MurJ, SULFATE ION
著者Kuk, A.C.Y, Lee, S.-Y.
登録日2018-12-11
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Visualizing conformation transitions of the Lipid II flippase MurJ.
Nat Commun, 10, 2019
6CSO
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BU of 6cso by Molmil
Crystal structure of the designed light-gated anion channel iC++ at pH6.5
分子名称: OLEIC ACID, RETINAL, iC++
著者Kato, H.E, Kim, Y, Yamashita, K, Kobilka, B.K, Deisseroth, K.
登録日2018-03-21
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural mechanisms of selectivity and gating in anion channelrhodopsins.
Nature, 561, 2018
6NC8
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BU of 6nc8 by Molmil
Lipid II flippase MurJ, inward occluded conformation
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Lipid II flippase MurJ, PENTAETHYLENE GLYCOL, ...
著者Kuk, A.C.Y, Lee, S.-Y.
登録日2018-12-11
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Visualizing conformation transitions of the Lipid II flippase MurJ.
Nat Commun, 10, 2019
6NC9
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BU of 6nc9 by Molmil
Lipid II flippase MurJ, outward-facing conformation
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Lipid II flippase MurJ, ...
著者Kuk, A.C.Y, Lee, S.-Y.
登録日2018-12-11
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Visualizing conformation transitions of the Lipid II flippase MurJ.
Nat Commun, 10, 2019
6NR4
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BU of 6nr4 by Molmil
Cryo-EM structure of the TRPM8 ion channel with low occupancy icilin, PI(4,5)P2, and calcium
分子名称: Transient receptor potential cation channel subfamily M member 8
著者Yin, Y, Le, S.C, Hsu, A.L, Borgnia, M.J, Yang, H, Lee, S.-Y.
登録日2019-01-22
公開日2019-02-20
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural basis of cooling agent and lipid sensing by the cold-activated TRPM8 channel.
Science, 363, 2019
6NR2
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BU of 6nr2 by Molmil
Cryo-EM structure of the TRPM8 ion channel in complex with the menthol analog WS-12 and PI(4,5)P2
分子名称: (1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide, (2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraenoate, Transient receptor potential cation channel subfamily M member 8
著者Yin, Y, Le, S.C, Hsu, A.L, Borgnia, M.J, Yang, H, Lee, S.-Y.
登録日2019-01-22
公開日2019-02-20
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural basis of cooling agent and lipid sensing by the cold-activated TRPM8 channel.
Science, 363, 2019

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