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6AJJ
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Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with ICA38
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ...
著者Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
登録日2018-08-27
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.794 Å)
主引用文献Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
8DEA
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BU of 8dea by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
分子名称: 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide, Complement factor D, GLYCEROL
著者Raman, K, Babu, Y.S.
登録日2022-06-20
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.214 Å)
主引用文献Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8DG6
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Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
分子名称: 1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide, Complement factor D
著者Raman, K, Babu, Y.S.
登録日2022-06-23
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.986 Å)
主引用文献Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8D95
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Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
分子名称: Complement factor D, N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide
著者Raman, K, Babu, Y.S.
登録日2022-06-09
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.166 Å)
主引用文献Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
7BV4
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Crystal structure of STX17 LIR region in complex with GABARAP
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein, ...
著者Li, Y, Pan, L.F.
登録日2020-04-09
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Decoding three distinct states of the Syntaxin17 SNARE motif in mediating autophagosome-lysosome fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
7BV6
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Crystal structure of the autophagic STX17/SNAP29/VAMP8 SNARE complex
分子名称: Synaptosomal-associated protein 29, Syntaxin-17, Vesicle-associated membrane protein 8
著者Li, Y, Pan, L.F.
登録日2020-04-09
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Decoding three distinct states of the Syntaxin17 SNARE motif in mediating autophagosome-lysosome fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
8XIO
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BU of 8xio by Molmil
Structure of L797591-SSTR1 G protein complex
分子名称: (2~{S})-~{N}-[(4~{S})-6-azanyl-2,2,4-trimethyl-hexyl]-3-naphthalen-1-yl-2-[[2-phenylethyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanamide, G-alpha-i, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y.
登録日2023-12-19
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3
To Be Published
8XIR
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BU of 8xir by Molmil
Structure of pasireotide-SSTR3 G protein complex
分子名称: G-alpha i, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y.
登録日2023-12-19
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (2.52 Å)
主引用文献Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3
To Be Published
8XIQ
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BU of 8xiq by Molmil
Structure of L796778-SSTR3 G protein complex
分子名称: G-alpha i, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y.
登録日2023-12-19
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3
To Be Published
8XIP
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BU of 8xip by Molmil
Structure of Pasireotide-SSTR1 G protein complex
分子名称: 004-DTR-LYS-TY5-PHE-A1D5E, G-alpha i, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y.
登録日2023-12-19
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3
To Be Published
6O66
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BU of 6o66 by Molmil
Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS-170B
分子名称: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, GLYCEROL
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-05
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.452 Å)
主引用文献Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
6O5V
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Binary complex of native hAChE with oxime reactivator RS-170B
分子名称: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, GLYCEROL, ...
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-04
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.152 Å)
主引用文献Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
6O5R
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BU of 6o5r by Molmil
Room temperature structure of binary complex of native hAChE with oxime reactivator RS-170B
分子名称: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, CHLORIDE ION
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-04
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
2ADM
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BU of 2adm by Molmil
ADENINE-N6-DNA-METHYLTRANSFERASE TAQI
分子名称: ADENINE-N6-DNA-METHYLTRANSFERASE TAQI, S-ADENOSYLMETHIONINE
著者Schluckebier, G, Saenger, W.
登録日1996-07-15
公開日1997-01-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Differential binding of S-adenosylmethionine S-adenosylhomocysteine and Sinefungin to the adenine-specific DNA methyltransferase M.TaqI.
J.Mol.Biol., 265, 1997
1AQI
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BU of 1aqi by Molmil
STRUCTURE OF ADENINE-N6-DNA-METHYLTRANSFERASE TAQI
分子名称: ADENINE-N6-DNA-METHYLTRANSFERASE TAQI, S-ADENOSYL-L-HOMOCYSTEINE
著者Schluckebier, G, Saenger, W.
登録日1996-07-25
公開日1997-02-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Differential binding of S-adenosylmethionine S-adenosylhomocysteine and Sinefungin to the adenine-specific DNA methyltransferase M.TaqI.
J.Mol.Biol., 265, 1997
1AQJ
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BU of 1aqj by Molmil
STRUCTURE OF ADENINE-N6-DNA-METHYLTRANSFERASE TAQI
分子名称: ADENINE-N6-DNA-METHYLTRANSFERASE TAQI, SINEFUNGIN
著者Schluckebier, G, Saenger, W.
登録日1996-07-25
公開日1997-02-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Differential binding of S-adenosylmethionine S-adenosylhomocysteine and Sinefungin to the adenine-specific DNA methyltransferase M.TaqI.
J.Mol.Biol., 265, 1997
1CKJ
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BU of 1ckj by Molmil
CASEIN KINASE I DELTA TRUNCATION MUTANT CONTAINING RESIDUES 1-317 COMPLEX WITH BOUND TUNGSTATE
分子名称: RECOMBINANT CASEIN KINASE I DELTA, TUNGSTATE(VI)ION
著者Longenecker, K.L, Roach, P.J, Hurley, T.D.
登録日1995-08-25
公開日1995-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Three-dimensional structure of mammalian casein kinase I: molecular basis for phosphate recognition.
J.Mol.Biol., 257, 1996
1CKI
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BU of 1cki by Molmil
RECOMBINANT CASEIN KINASE I DELTA TRUNCATION MUTANT CONTAINING RESIDUES 1-317
分子名称: CASEIN KINASE I DELTA
著者Longenecker, K.L, Roach, P.J, Hurley, T.D.
登録日1995-08-25
公開日1995-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Three-dimensional structure of mammalian casein kinase I: molecular basis for phosphate recognition.
J.Mol.Biol., 257, 1996
7EYI
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Crystal structure of ZBTB7A in complex with gamma-globin -200 sequence element with C-194A mutation
分子名称: BORIC ACID, DNA (5'-D(*AP*TP*AP*GP*GP*GP*CP*CP*CP*CP*TP*TP*CP*CP*CP*AP*AP*C)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*GP*GP*AP*AP*GP*GP*GP*GP*CP*CP*CP*TP*A)-3'), ...
著者Yang, Y, Shi, Y.Y.
登録日2021-05-31
公開日2021-09-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Structural basis for human ZBTB7A action at the fetal globin promoter.
Cell Rep, 36, 2021
8HDO
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BU of 8hdo by Molmil
Structure of A2BR bound to synthetic agonists BAY 60-6583
分子名称: 2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide, Adenosine A2b receptor, CHOLESTEROL, ...
著者Cai, H, Xu, Y, Xu, H.E, Jiang, Y.
登録日2022-11-05
公開日2023-01-18
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Structures of adenosine receptor A 2B R bound to endogenous and synthetic agonists.
Cell Discov, 8, 2022
8HDP
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Structure of A2BR bound to endogenous agonists adenosine
分子名称: ADENOSINE, Adenosine A2b receptor, CHOLESTEROL, ...
著者Cai, H, Xu, Y, Xu, H.E, Jiang, Y.
登録日2022-11-05
公開日2023-01-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of adenosine receptor A 2B R bound to endogenous and synthetic agonists.
Cell Discov, 8, 2022
7E2X
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Apo serotonin 1A (5-HT1A) receptor-Gi protein complex
分子名称: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Xu, P, Huang, S, Zhang, H, Mao, C, Zhou, X.E, Shen, D.D, Jiang, Y, Zhang, Y, Xu, H.E.
登録日2021-02-07
公開日2021-04-14
最終更新日2021-04-28
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insights into the lipid and ligand regulation of serotonin receptors.
Nature, 592, 2021
7E32
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Serotonin 1D (5-HT1D) receptor-Gi protein complex
分子名称: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Xu, P, Huang, S, Zhang, H, Mao, C, Zhou, X.E, Shen, D.D, Jiang, Y, Zhang, Y, Xu, H.E.
登録日2021-02-07
公開日2021-04-21
最終更新日2021-04-28
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural insights into the lipid and ligand regulation of serotonin receptors.
Nature, 592, 2021
7E33
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Serotonin 1E (5-HT1E) receptor-Gi protein complex
分子名称: 3-(1-methylpiperidin-4-yl)-1H-indol-5-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Xu, P, Huang, S, Zhang, H, Mao, C, Zhou, X.E, Shen, D.D, Jiang, Y, Zhang, Y, Xu, H.E.
登録日2021-02-07
公開日2021-04-14
最終更新日2021-04-28
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural insights into the lipid and ligand regulation of serotonin receptors.
Nature, 592, 2021
7E2Y
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Serotonin-bound Serotonin 1A (5-HT1A) receptor-Gi protein complex
分子名称: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Xu, P, Huang, S, Zhang, H, Mao, C, Zhou, X.E, Shen, D.D, Jiang, Y, Zhang, Y, Xu, H.E.
登録日2021-02-07
公開日2021-04-14
最終更新日2021-04-28
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insights into the lipid and ligand regulation of serotonin receptors.
Nature, 592, 2021

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