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7PFP
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BU of 7pfp by Molmil
Full-length cryo-EM structure of the native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B.
登録日2021-08-11
公開日2022-03-16
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
6WU8
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BU of 6wu8 by Molmil
Structure of human SHP2 in complex with inhibitor IACS-13909
分子名称: 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Leonard, P.G, Joseph, S, Rodenberger, A.
登録日2020-05-04
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Allosteric SHP2 Inhibitor, IACS-13909, Overcomes EGFR-Dependent and EGFR-Independent Resistance Mechanisms toward Osimertinib.
Cancer Res., 80, 2020
7JM5
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BU of 7jm5 by Molmil
Crystal structure of KDM4B in complex with QC6352
分子名称: 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ...
著者White, S.W, Yun, M.
登録日2020-07-31
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma.
Sci Transl Med, 14, 2022
4RZE
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BU of 4rze by Molmil
Crystal Structure Analysis of the NUR77 Ligand Binding Domain, L437W,D594E mutant
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Fengwei, L, Xuyang, T, Anzhong, L, Li, L, Yuan, L, Hangzi, C, Qiao, W, Tianwei, L.
登録日2014-12-21
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
5YP6
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BU of 5yp6 by Molmil
RORgamma (263-509) complexed with SRC2 and Compound 6
分子名称: N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, SRC2
著者Gao, M, Cai, W.
登録日2017-11-01
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
7OPW
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BU of 7opw by Molmil
Ternary complex of 14-3-3 sigma, Estrogen Receptor alfa phosphopeptide, and WQ136
分子名称: 14-3-3 protein sigma, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-01
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQG
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BU of 7oqg by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ136
分子名称: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), BETA-MERCAPTOETHANOL, ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-03
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQJ
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BU of 7oqj by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ162
分子名称: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), CHLORIDE ION, ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-03
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQS
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BU of 7oqs by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ177
分子名称: 14-3-3 protein sigma, 2-(1,3-benzodioxol-5-yl)-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]ethanamide, Amot-p130 phosphopeptide (pS175), ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-04
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQU
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BU of 7oqu by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ180
分子名称: (2~{S},3~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide, 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-04
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQW
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BU of 7oqw by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ178
分子名称: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), MAGNESIUM ION, ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-04
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQ8
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BU of 7oq8 by Molmil
Ternary complex of 14-3-3 sigma, Estrogen Receptor alfa phosphopeptide, and WQ178
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Estrogen receptor, ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-02
公開日2022-06-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQ7
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BU of 7oq7 by Molmil
Ternary complex of 14-3-3 sigma, Estrogen Receptor alfa phosphopeptide, and WQ162
分子名称: 14-3-3 protein sigma, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-02
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQ9
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BU of 7oq9 by Molmil
Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ136
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-02
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7OQA
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BU of 7oqa by Molmil
Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ162
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-02
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
6U4Y
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BU of 6u4y by Molmil
Crystal Structure of an EZH2-EED Complex in an Oligomeric State
分子名称: Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Jiao, L, Liu, X.
登録日2019-08-26
公開日2020-07-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献A partially disordered region connects gene repression and activation functions of EZH2.
Proc.Natl.Acad.Sci.USA, 117, 2020
6V2F
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BU of 6v2f by Molmil
Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207
分子名称: HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
著者Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T.
登録日2019-11-22
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Clinical targeting of HIV capsid protein with a long-acting small molecule.
Nature, 584, 2020
7EQL
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BU of 7eql by Molmil
Crystal structure of (+)-pulegone reductase from Mentha piperita
分子名称: (+)-pulegone reductase
著者Lin, W.
登録日2021-05-03
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Functional Characterization and Structural Insights Into Stereoselectivity of Pulegone Reductase in Menthol Biosynthesis.
Front Plant Sci, 12, 2021
5EOL
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BU of 5eol by Molmil
Crystal structure of human Pim-1 kinase in complex with a macrocyclic quinoxaline-pyrrolodihydropiperidinone inhibitor
分子名称: GLYCEROL, Serine/threonine-protein kinase pim-1, macrocyclic quinoxaline-pyrrolodihydropiperidinone
著者Mohr, C.
登録日2015-11-10
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Optimization of Macrocyclic Quinoxaline-pyrrolo-dihydropiperidinones as Potent Pim-1/2 Kinase Inhibitors.
Acs Med.Chem.Lett., 7, 2016
6IHI
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BU of 6ihi by Molmil
Crystal structure of RasADH 3B3/I91V from Ralstonia.sp in complex with NADPH and A6O
分子名称: (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M.
登録日2018-09-30
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Nat Catal, 2, 2019
6IHH
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BU of 6ihh by Molmil
Crystal structure of RasADH F12 from Ralstonia.sp in complex with NADPH and A6O
分子名称: (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M.
登録日2018-09-30
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Nat Catal, 2, 2019
1I51
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BU of 1i51 by Molmil
CRYSTAL STRUCTURE OF CASPASE-7 COMPLEXED WITH XIAP
分子名称: CASPASE-7 SUBUNIT P11, CASPASE-7 SUBUNIT P20, X-LINKED INHIBITOR OF APOPTOSIS PROTEIN
著者Chai, J, Shi, Y.
登録日2001-02-23
公開日2002-02-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural basis of caspase-7 inhibition by XIAP.
Cell(Cambridge,Mass.), 104, 2001
3WTF
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BU of 3wtf by Molmil
Structure of PAXX
分子名称: Uncharacterized protein C9orf142
著者Ochi, T, Blundell, T.L.
登録日2014-04-09
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.451 Å)
主引用文献DNA repair. PAXX, a paralog of XRCC4 and XLF, interacts with Ku to promote DNA double-strand break repair.
Science, 347, 2015
3NSN
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BU of 3nsn by Molmil
Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with TMG-chitotriomycin
分子名称: 2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetylglucosaminidase
著者Zhang, H, Liu, T, Liu, F, Yang, Q, Shen, X.
登録日2010-07-02
公開日2010-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Determinants of an Insect {beta}-N-Acetyl-D-hexosaminidase Specialized as a Chitinolytic Enzyme
J.Biol.Chem., 286, 2011
6WYJ
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BU of 6wyj by Molmil
Cryo-EM structure of the GltPh L152C-G321C mutant in the intermediate state
分子名称: ASPARTIC ACID, Glutamate transporter homolog
著者Font, J, Chen, I, Sobti, M, Stewart, A.G, Ryan, R.M.
登録日2020-05-13
公開日2021-02-17
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Glutamate transporters have a chloride channel with two hydrophobic gates.
Nature, 591, 2021

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