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8JAA
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BU of 8jaa by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-04
分子名称: (2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol, SULFATE ION, Trehalose-binding lipoprotein LpqY
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-10-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
5IE0
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BU of 5ie0 by Molmil
Crystal structure of a plant enzyme
分子名称: Oxalate--CoA ligase, S,R MESO-TARTARIC ACID
著者Ran, M.R, Li, M, Chang, W.R.
登録日2016-02-24
公開日2016-12-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of Arabidopsis thaliana Oxalyl-CoA Synthetase Essential for Oxalate Degradation
Mol Plant, 9, 2016
6NXL
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BU of 6nxl by Molmil
Ubiquitin binding variants
分子名称: Polyubiquitin-B
著者Miller, D.J, Watson, E.R.
登録日2019-02-08
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献Protein engineering of a ubiquitin-variant inhibitor of APC/C identifies a cryptic K48 ubiquitin chain binding site.
Proc.Natl.Acad.Sci.USA, 116, 2019
4XT9
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BU of 4xt9 by Molmil
RORgamma (263-509) complexed with GSK2435341A and SRC2
分子名称: LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, N-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ...
著者Wang, Y, Ma, Y.
登録日2015-01-23
公開日2015-08-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of N-(4-aryl-5-aryloxy-thiazol-2-yl)-amides as potent ROR gamma t inverse agonists
Bioorg.Med.Chem., 23, 2015
1XPC
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BU of 1xpc by Molmil
HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 19
分子名称: (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2R)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor
著者Fitzgerald, P.M.D, Sharma, N.
登録日2004-10-08
公開日2004-12-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
1XP9
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BU of 1xp9 by Molmil
HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 18
分子名称: (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor
著者Fitzgerald, P.M.D, Sharma, N.
登録日2004-10-08
公開日2004-12-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
6NXK
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BU of 6nxk by Molmil
Ubiquitin binding variants
分子名称: Anaphase-promoting complex subunit 2, Polyubiquitin-C
著者Miller, D.J, Watson, E.R.
登録日2019-02-08
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Protein engineering of a ubiquitin-variant inhibitor of APC/C identifies a cryptic K48 ubiquitin chain binding site.
Proc.Natl.Acad.Sci.USA, 116, 2019
8XJO
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BU of 8xjo by Molmil
U46619 bound Thromboxane A2 receptor-Gq Protein Complex
分子名称: (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, Antibody fragment scFv16, Engineered miniGq, ...
著者Zhang, X, Li, X, Liu, G, Gong, W.
登録日2023-12-21
公開日2024-02-28
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献Structural basis for ligand recognition and activation of the prostanoid receptors.
Cell Rep, 43, 2024
8XJK
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BU of 8xjk by Molmil
Cloprosetnol bound Prostaglandin F2-alpha receptor-Gq Protein Complex
分子名称: Antibody fragment scFv16, Cloprostenol, Engineered miniGq, ...
著者Zhang, X, Li, X, Liu, G, Gong, W.
登録日2023-12-21
公開日2024-02-28
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献Structural basis for ligand recognition and activation of the prostanoid receptors.
Cell Rep, 43, 2024
8XJN
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BU of 8xjn by Molmil
Cloprosetnol bound Thromboxane A2 receptor-Gq Protein Complex
分子名称: Antibody fragment scFv16, Cloprostenol, Engineered miniGq, ...
著者Zhang, X, Li, X, Liu, G, Gong, W.
登録日2023-12-21
公開日2024-02-28
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Structural basis for ligand recognition and activation of the prostanoid receptors.
Cell Rep, 43, 2024
8XJL
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BU of 8xjl by Molmil
PGF2-alpha bound Prostaglandin F2-alpha receptor-Gq Protein Complex
分子名称: (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, Engineered miniGq, ...
著者Zhang, X, Li, X, Liu, G, Gong, W.
登録日2023-12-21
公開日2024-02-28
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Structural basis for ligand recognition and activation of the prostanoid receptors.
Cell Rep, 43, 2024
8XJM
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BU of 8xjm by Molmil
Latanoprost acid bound Prostaglandin F2-alpha receptor-Gq Protein Complex
分子名称: Antibody fragment scFv16, Engineered miniGq, Fusion tag,Prostaglandin F2-alpha receptor,LgBiT, ...
著者Zhang, X, Li, X, Liu, G, Gong, W.
登録日2023-12-21
公開日2024-02-28
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Structural basis for ligand recognition and activation of the prostanoid receptors.
Cell Rep, 43, 2024
1XP1
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BU of 1xp1 by Molmil
HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 15
分子名称: (2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL, Estrogen receptor
著者Fitzgerald, P.M.D, Sharma, N.
登録日2004-10-07
公開日2004-12-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Bioorg.Med.Chem.Lett., 15, 2005
4X3O
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BU of 4x3o by Molmil
Sirt2 in complex with a myristoyl peptide
分子名称: 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ...
著者Wang, Y, Zhang, W.Z, Hao, Q.
登録日2014-12-01
公開日2016-01-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Deacylation Mechanism by SIRT2 Revealed in the 1'-SH-2'-O-Myristoyl Intermediate Structure.
Cell Chem Biol, 24, 2017
5IE3
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BU of 5ie3 by Molmil
Crystal structure of a plant enzyme
分子名称: ADENOSINE MONOPHOSPHATE, OXALIC ACID, Oxalate--CoA ligase
著者Fan, M.R, Li, M, Chang, W.R.
登録日2016-02-24
公開日2016-12-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structures of Arabidopsis thaliana Oxalyl-CoA Synthetase Essential for Oxalate Degradation
Mol Plant, 9, 2016
7YC9
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BU of 7yc9 by Molmil
Co-crystal structure of BTK kinase domain with inhibitor
分子名称: (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK
著者Zhou, X.
登録日2022-07-01
公開日2023-05-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
6OB1
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BU of 6ob1 by Molmil
Structure of WHB in complex with Ubiquitin Variant
分子名称: Anaphase-promoting complex subunit 2, Ubiquitin
著者Edmond, R.W, Grace, C.R.
登録日2019-03-19
公開日2019-08-14
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Protein engineering of a ubiquitin-variant inhibitor of APC/C identifies a cryptic K48 ubiquitin chain binding site.
Proc.Natl.Acad.Sci.USA, 116, 2019
8HJE
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BU of 8hje by Molmil
Vismodegib binds to the catalytical domain of human Ubiquitin-Specific Protease 28
分子名称: 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, Ubiquitin carboxyl-terminal hydrolase 28
著者Shi, L, Wang, H, Xu, Z, Xiong, B, Zhang, N.
登録日2022-11-23
公開日2023-05-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure-based discovery of potent USP28 inhibitors derived from Vismodegib.
Eur.J.Med.Chem., 254, 2023
7CRJ
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BU of 7crj by Molmil
Dark State Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif
分子名称: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
著者Yun, J.H, Liu, H, Lee, W.T, Schmidt, M.
登録日2020-08-13
公開日2020-09-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser.
Proc.Natl.Acad.Sci.USA, 118, 2021
7C81
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BU of 7c81 by Molmil
E30 F-particle in complex with 6C5
分子名称: Heavy chain, Light chain, SPHINGOSINE, ...
著者Wang, K, Zheng, B, Zhang, L, Cui, L, Su, X, Zhang, Q, Guo, Y, Zhu, L, Zhu, F, Rao, Z, Wang, X.
登録日2020-05-28
公開日2020-07-29
最終更新日2025-04-09
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Serotype specific epitopes identified by neutralizing antibodies underpin immunogenic differences in Enterovirus B.
Nat Commun, 11, 2020
8IBQ
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BU of 8ibq by Molmil
Bromodomain and Extra-terminal Domain (BET) BRD4
分子名称: 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4
著者Cao, D, Zhiyan, D, Xiong, B.
登録日2023-02-10
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
7CRI
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BU of 7cri by Molmil
1 ps Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif
分子名称: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
著者Yun, J.H, Liu, H, Lee, W.T, Schmidt, M.
登録日2020-08-13
公開日2020-09-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CLZ
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BU of 7clz by Molmil
Crystal structure of Alp1U W187F/Y247F in complex with fluostatin C
分子名称: BORIC ACID, D-MALATE, Fluostatin C, ...
著者Zhang, L, De, B.C.
登録日2020-07-22
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.10001016 Å)
主引用文献Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U.
J.Biol.Chem., 295, 2020
4ZHU
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BU of 4zhu by Molmil
Crystal structure of a bacterial repressor protein
分子名称: SULFATE ION, YfiR
著者Li, S, Li, T, Wang, Y, Bartlam, M.
登録日2015-04-27
公開日2016-04-27
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.3968 Å)
主引用文献Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1
Sci Rep, 5, 2015
4ZHW
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BU of 4zhw by Molmil
Crystal structure of a bacterial signalling protein (N-terminal truncation)
分子名称: YfiB
著者Li, S, Li, T, Wang, Y, Bartlam, M.
登録日2015-04-27
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.391 Å)
主引用文献Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1
Sci Rep, 5, 2015

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