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6U86
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BU of 6u86 by Molmil
Apo full-length rat TRPV2 in nanodiscs, state 2
分子名称: Transient receptor potential cation channel subfamily V member 2
著者Pumroy, R.A, Moiseenkova-Bell, V.Y.
登録日2019-09-04
公開日2019-10-16
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Molecular mechanism of TRPV2 channel modulation by cannabidiol.
Elife, 8, 2019
5H19
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BU of 5h19 by Molmil
EED in complex with PRC2 allosteric inhibitor EED162
分子名称: 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-08
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
4KFP
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BU of 4kfp by Molmil
Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived Ureas as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, N-(4-{[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Dragovich, P.S, Bair, K.W, Baumeister, T, Ho, Y, Liederer, B.M, Liu, X, O'Brien, T, Oeh, J, Sampath, D, Skelton, N, Wang, L, Wang, W, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X.
登録日2013-04-27
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
6U8A
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BU of 6u8a by Molmil
CBD-bound full-length rat TRPV2 in nanodiscs, state 1
分子名称: Transient receptor potential cation channel subfamily V member 2, cannabidiol
著者Pumroy, R.A, Moiseenkova-Bell, V.Y.
登録日2019-09-04
公開日2019-10-16
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Molecular mechanism of TRPV2 channel modulation by cannabidiol.
Elife, 8, 2019
6XKL
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BU of 6xkl by Molmil
SARS-CoV-2 HexaPro S One RBD up
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Wrapp, D, Hsieh, C.-L, Goldsmith, J.A, McLellan, J.S.
登録日2020-06-26
公開日2020-07-15
最終更新日2020-09-30
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Structure-based design of prefusion-stabilized SARS-CoV-2 spikes.
Science, 369, 2020
6U88
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BU of 6u88 by Molmil
CBD-bound full-length rat TRPV2 in nanodiscs, state 2
分子名称: Transient receptor potential cation channel subfamily V member 2, cannabidiol
著者Pumroy, R.A, Moiseenkova-Bell, V.Y.
登録日2019-09-04
公開日2019-10-16
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular mechanism of TRPV2 channel modulation by cannabidiol.
Elife, 8, 2019
1GH2
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BU of 1gh2 by Molmil
Crystal structure of the catalytic domain of a new human thioredoxin-like protein
分子名称: THIOREDOXIN-LIKE PROTEIN
著者Jin, J, Chen, X, Guo, Q, Yuan, J, Qiang, B, Rao, Z.
登録日2000-11-01
公開日2001-05-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structure of the catalytic domain of a human thioredoxin-like protein.
Eur.J.Biochem., 269, 2002
7D88
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BU of 7d88 by Molmil
Crystal structure of a novel thermostable GH10 xylanase XynA
分子名称: Beta-xylanase, CALCIUM ION
著者Xie, W, Yu, Q, Wang, C.
登録日2020-10-07
公開日2021-08-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.34482026 Å)
主引用文献Insights into the Catalytic Mechanism of a Novel XynA and Structure-Based Engineering for Improving Bifunctional Activities.
Biochemistry, 60, 2021
7D89
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BU of 7d89 by Molmil
Crystal structure of an inactivated double mutant (E182AE280A) of a novel thermostable GH10 xylanase XynA
分子名称: Beta-xylanase, CALCIUM ION
著者Xie, W, Yu, Q, Wang, C.
登録日2020-10-07
公開日2021-08-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.89384079 Å)
主引用文献Insights into the Catalytic Mechanism of a Novel XynA and Structure-Based Engineering for Improving Bifunctional Activities.
Biochemistry, 60, 2021
4RXJ
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BU of 4rxj by Molmil
crystal structure of WHSC1L1-PWWP2
分子名称: Histone-lysine N-methyltransferase NSD3, UNKNOWN ATOM OR ION
著者Qin, S, Tempel, W, Dong, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-12-11
公開日2015-01-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Histone and DNA binding ability studies of the NSD subfamily of PWWP domains.
Biochem.Biophys.Res.Commun., 569, 2021
1NFG
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BU of 1nfg by Molmil
Structure of D-hydantoinase
分子名称: D-hydantoinase, ZINC ION
著者Xu, Z, Yang, Y, Jiang, W, Arnold, E, Ding, J.
登録日2002-12-14
公開日2003-07-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of D-Hydantoinase from Burkholderia pickettii at a Resolution of 2.7 Angstroms: Insights into the Molecular Basis of Enzyme Thermostability.
J.Bacteriol., 185, 2003
7BZ5
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BU of 7bz5 by Molmil
Structure of COVID-19 virus spike receptor-binding domain complexed with a neutralizing antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of B38, Light chain of B38, ...
著者Wu, Y, Qi, J, Gao, F.
登録日2020-04-26
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献A noncompeting pair of human neutralizing antibodies block COVID-19 virus binding to its receptor ACE2.
Science, 368, 2020
8H05
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BU of 8h05 by Molmil
Minor polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a postmortal Parkinson's disease patient
分子名称: Alpha-synuclein
著者Fan, Y, Sun, Y.P, Wang, J, Liu, C.
登録日2022-09-28
公開日2022-11-30
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
8H03
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BU of 8h03 by Molmil
Major polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a preclinical Parkinson's disease patient
分子名称: Alpha-synuclein
著者Fan, Y, Sun, Y.P, Wang, J, Liu, C.
登録日2022-09-28
公開日2022-11-30
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
8H04
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BU of 8h04 by Molmil
Major polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a postmortal Parkinson's disease patient
分子名称: Alpha-synuclein
著者Fan, Y, Sun, Y.P, Wang, J, Liu, C.
登録日2022-09-28
公開日2022-11-30
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
8WGW
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BU of 8wgw by Molmil
Local refinement of RBD-ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Wei, X, Zhang, Z.
登録日2023-09-22
公開日2024-02-28
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
8WGV
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BU of 8wgv by Molmil
BA.2(S375) Spike (S6P)/hACE2 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Wei, X, Zhang, Z.
登録日2023-09-22
公開日2024-02-28
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
6O8C
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BU of 6o8c by Molmil
Crystal structure of STING CTT in complex with TBK1
分子名称: N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein
著者Li, P, Zhao, B, Du, F.
登録日2019-03-09
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献A conserved PLPLRT/SD motif of STING mediates the recruitment and activation of TBK1.
Nature, 569, 2019
6O8B
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BU of 6o8b by Molmil
Crystal structure of STING CTD in complex with TBK1
分子名称: N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein
著者Li, P, Zhao, B, Du, F.
登録日2019-03-09
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献A conserved PLPLRT/SD motif of STING mediates the recruitment and activation of TBK1.
Nature, 569, 2019
5I2K
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BU of 5i2k by Molmil
Structure of the human GluN1/GluN2A LBD in complex with 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 19)
分子名称: 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, GLUTAMIC ACID, GLYCINE, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2016-02-09
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.
J.Med.Chem., 59, 2016
1P5Q
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BU of 1p5q by Molmil
Crystal Structure of FKBP52 C-terminal Domain
分子名称: FK506-binding protein 4, SULFATE ION
著者Wu, B, Li, P, Lou, Z, Shu, C, Ding, Y, Shen, B, Rao, Z.
登録日2003-04-28
公開日2004-06-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献3D structure of human FK506-binding protein 52: Implications for the assembly of the glucocorticoid receptor/Hsp90/immunophilin heterocomplex
Proc.Natl.Acad.Sci.USA, 101, 2004
2PZ9
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BU of 2pz9 by Molmil
Crystal structure of putative transcriptional regulator SCO4942 from Streptomyces coelicolor
分子名称: Putative regulatory protein, SULFATE ION
著者Filippova, E.V, Chruszcz, M, Xu, X, Zheng, H, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2007-05-17
公開日2007-06-19
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献In situ proteolysis for protein crystallization and structure determination.
Nat.Methods, 4, 2007
4UAI
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BU of 4uai by Molmil
Crystal structure of CXCL12 in complex with inhibitor
分子名称: 1-phenyl-3-[4-(1H-tetrazol-5-yl)phenyl]urea, SULFATE ION, Stromal cell-derived factor 1
著者Smith, E.W, Chen, Y.
登録日2014-08-09
公開日2014-11-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Analysis of a Novel Small Molecule Ligand Bound to the CXCL12 Chemokine.
J.Med.Chem., 57, 2014
4DT1
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BU of 4dt1 by Molmil
Crystal structure of the Psy3-Csm2 complex
分子名称: Chromosome segregation in meiosis protein 2, ETHANOL, Platinum sensitivity protein 3
著者Tao, Y, Niu, L, Teng, M.
登録日2012-02-20
公開日2012-04-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Structural analysis of Shu proteins reveals a DNA binding role essential for resisting damage
J.Biol.Chem., 287, 2012
6LBC
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BU of 6lbc by Molmil
shrimp ferritin-T158R
分子名称: FE (III) ION, Ferritin
著者Zhao, G, Chen, H, Zhang, T.
登録日2019-11-14
公開日2020-11-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Construction of thermally robust and porous shrimp ferritin crystalline for molecular encapsulation through intermolecular arginine-arginine attractions.
Food Chem, 349, 2021

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