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1UNE
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BU of 1une by Molmil
CARBOXYLIC ESTER HYDROLASE, 1.5 ANGSTROM ORTHORHOMBIC FORM OF THE BOVINE RECOMBINANT PLA2
分子名称: CALCIUM ION, PHOSPHOLIPASE A2
著者Sundaralingam, M.
登録日1997-11-05
公開日1998-05-06
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High-resolution refinement of orthorhombic bovine pancreatic phospholipase A2.
Acta Crystallogr.,Sect.D, 55, 1999
4WD5
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BU of 4wd5 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with QL-X138
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide
著者Yun, C.H, Eck, M.J.
登録日2014-09-07
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of EGFR 696-1022 T790M in complex with QL-X138
To Be Published
3TB4
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BU of 3tb4 by Molmil
Crystal structure of the ISC domain of VibB
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Liu, S, Zhang, C, Niu, B, Li, N, Liu, M, Wei, T, Zhu, D, Xu, S, Gu, L.
登録日2011-08-05
公開日2012-08-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural insight into the ISC domain of VibB from Vibrio cholerae at atomic resolution: a snapshot just before the enzymatic reaction
Acta Crystallogr.,Sect.D, 68, 2012
3TLQ
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BU of 3tlq by Molmil
Crystal structure of EAL-like domain protein YdiV
分子名称: GLYCEROL, PHOSPHATE ION, Regulatory protein YdiV
著者Li, B, Li, N, Wang, F, Guo, L, Liu, C, Zhu, D, Xu, S, Gu, L.
登録日2011-08-30
公開日2012-09-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural insight of a concentration-dependent mechanism by which YdiV inhibits Escherichia coli flagellum biogenesis and motility
Nucleic Acids Res., 40, 2012
2E2R
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BU of 2e2r by Molmil
Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with bisphenol A
分子名称: 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen-related receptor gamma, GLYCEROL
著者Matsushima, A, Kakuta, Y, Teramoto, T, Koshiba, T, Kimura, M, Shimohigashi, Y.
登録日2006-11-16
公開日2007-09-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Evidence for Endocrine Disruptor Bisphenol A Binding to Human Nuclear Receptor ERR{gamma}
J.Biochem.(Tokyo), 142, 2007
5H9T
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BU of 5h9t by Molmil
Crystal structure of native NalD at resolution of 2.9, the secondary repressor of MexAB-OprM multidrug efflux pump in Pseudomonas aeruginosa
分子名称: NalD
著者Chen, W.Z, Wang, D, Huang, S.Q, Hu, Q.Y, Liu, X.C, Gan, J.H, Chen, H.
登録日2015-12-29
公開日2016-04-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Novobiocin binding to NalD induces the expression of the MexAB-OprM pump in Pseudomonas aeruginosa.
Mol. Microbiol., 100, 2016
5VZU
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BU of 5vzu by Molmil
Crystal structure of the Skp1-FBXO31-cyclin D1 complex
分子名称: Cyclin D1, F-box only protein 31, PHOSPHATE ION, ...
著者Li, Y, Jin, K, Hao, B.
登録日2017-05-29
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of the phosphorylation-independent recognition of cyclin D1 by the SCFFBXO31 ubiquitin ligase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5HE5
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BU of 5he5 by Molmil
BACE-1 in complex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: 5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
6E8M
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BU of 6e8m by Molmil
Legionella Longbeachae LeSH (Llo2327) bound to the human DnaJ-A1 pTyr381 peptide
分子名称: DnaJ-A1 pTyr381 peptide, LeSH (Llo2327)
著者Kaneko, T, Li, S.S.C.
登録日2018-07-30
公開日2018-11-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Identification and characterization of a large family of superbinding bacterial SH2 domains.
Nat Commun, 9, 2018
6TCZ
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BU of 6tcz by Molmil
Leishmania tarentolae proteasome 20S subunit complexed with LXE408
分子名称: Proteasome endopeptidase complex, Proteasome subunit alpha type, Proteasome subunit beta, ...
著者Srinivas, H.
登録日2019-11-07
公開日2020-08-26
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases.
J.Med.Chem., 63, 2020
6TD5
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BU of 6td5 by Molmil
Leishmania tarentolae proteasome 20S subunit complexed with LXE408 and bortezomib
分子名称: N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, Proteasome endopeptidase complex, Proteasome subunit alpha type, ...
著者Srinivas, H.
登録日2019-11-07
公開日2020-08-26
最終更新日2020-10-21
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases.
J.Med.Chem., 63, 2020
4E4K
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BU of 4e4k by Molmil
Crystal Structure of PPARgamma with the ligand JO21
分子名称: (2S)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Loiodice, F, Fracchiolla, G, Laghezza, A, Carbonara, G, Piemontese, L, Lavecchia, A, Novellino, E.
登録日2012-03-13
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献New 2-(Aryloxy)-3-phenylpropanoic Acids as Peroxisome Proliferator-Activated Receptor alpha/gamma Dual Agonists Able To Upregulate Mitochondrial Carnitine Shuttle System Gene Expression.
J.Med.Chem., 56, 2013
4E4Q
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BU of 4e4q by Molmil
Crystal structure of PPARgamma with the ligand FS214
分子名称: (2R)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Loiodice, F, Fracchiolla, G, Laghezza, A, Carbonara, G, Piemontese, L, Lavecchia, A, Novellino, E.
登録日2012-03-13
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献New 2-(Aryloxy)-3-phenylpropanoic Acids as Peroxisome Proliferator-Activated Receptor alpha/gamma Dual Agonists Able To Upregulate Mitochondrial Carnitine Shuttle System Gene Expression.
J.Med.Chem., 56, 2013
4E7S
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BU of 4e7s by Molmil
Myosin VI D23R I24R R569E (MD) pre-powerstroke state
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Isabet, T, Sweeney, H.L, Houdusse, A.
登録日2012-03-19
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Processive Steps in the Reverse Direction Require Uncoupling of the Lead Head Lever Arm of Myosin VI.
Mol.Cell, 48, 2012
4ERN
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BU of 4ern by Molmil
Crystal structure of the C-terminal domain of human XPB/ERCC-3 excision repair protein at 1.80 A
分子名称: TFIIH basal transcription factor complex helicase XPB subunit
著者Hilario, E, Li, Y, Fan, L.
登録日2012-04-20
公開日2013-01-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the C-terminal half of human XPB helicase and the impact of the disease-causing mutation XP11BE.
Acta Crystallogr.,Sect.D, 69, 2013
5VSB
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BU of 5vsb by Molmil
Structure of DUB complex
分子名称: 7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7
著者Seo, H.-S, Dhe-Paganon, S.
登録日2017-05-11
公開日2017-12-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
5W5L
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BU of 5w5l by Molmil
Crystal structure of human IgG1-Sigma Fc fragment
分子名称: Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Armstrong, A.A, Gilliland, G.L.
登録日2017-06-15
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Functional, Biophysical, and Structural Characterization of Human IgG1 and IgG4 Fc Variants with Ablated Immune Functionality.
Antibodies, 6, 2017
5VS6
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BU of 5vs6 by Molmil
Structure of DUB complex
分子名称: ACETATE ION, GLYCEROL, N-[3-({4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydroquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide, ...
著者Seo, H.-S, Dhe-Paganon, S.
登録日2017-05-11
公開日2017-12-20
最終更新日2018-01-03
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
5VSK
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BU of 5vsk by Molmil
Structure of DUB complex
分子名称: 7-chloro-3-({4-hydroxy-1-[(3S)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION
著者Seo, H.-Y, Dhe-Paganon, S.
登録日2017-05-11
公開日2017-12-20
最終更新日2018-01-03
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Cell Chem Biol, 24, 2017
5W5N
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BU of 5w5n by Molmil
Crystal structure of human IgG4-Sigma2 Fc fragment
分子名称: ACETATE ION, GLYCEROL, Immunoglobulin heavy constant gamma 4, ...
著者Armstrong, A.A, Gilliland, G.L.
登録日2017-06-15
公開日2017-09-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Functional, Biophysical, and Structural Characterization of Human IgG1 and IgG4 Fc Variants with Ablated Immune Functionality.
Antibodies, 6, 2017
5W5M
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BU of 5w5m by Molmil
Crystal structure of human IgG4-Sigma1 Fc fragment
分子名称: ACETATE ION, GLYCEROL, Immunoglobulin heavy constant gamma 4, ...
著者Armstrong, A.A, Gilliland, G.L.
登録日2017-06-15
公開日2017-09-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Functional, Biophysical, and Structural Characterization of Human IgG1 and IgG4 Fc Variants with Ablated Immune Functionality.
Antibodies, 6, 2017
6DUG
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BU of 6dug by Molmil
Crystal structure of HIV-1 reverse transcriptase K101P mutant in complex with non-nucleoside inhibitor 25a
分子名称: 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ...
著者Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A.
登録日2018-06-20
公開日2018-08-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.225 Å)
主引用文献Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
6DUH
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BU of 6duh by Molmil
Crystal structure of HIV-1 reverse transcriptase Y181I mutant in complex with non-nucleoside inhibitor 25a
分子名称: 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ...
著者Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A.
登録日2018-06-20
公開日2018-08-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
6DUF
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BU of 6duf by Molmil
Crystal structure of HIV-1 reverse transcriptase V106A/F227L mutant in complex with non-nucleoside inhibitor 25a
分子名称: 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ...
著者Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A.
登録日2018-06-20
公開日2018-08-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.963 Å)
主引用文献Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
7QXI
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BU of 7qxi by Molmil
Cryo-EM structure of RNA polymerase-sigma54 holo enzyme with promoter DNA closed complex
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Ye, F.Z, Zhang, X.D.
登録日2022-01-26
公開日2022-11-09
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Mechanisms of DNA opening revealed in AAA+ transcription complex structures.
Sci Adv, 8, 2022

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