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4BJB
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BU of 4bjb by Molmil
Crystal structure of human tankyrase 2 in complex with PJ-34
分子名称: GLYCEROL, N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, SULFATE ION, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2013-04-17
公開日2013-12-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Evaluation and Structural Basis for the Inhibition of Tankyrases by Parp Inhibitors.
Acs Med.Chem.Lett., 5, 2014
4BJC
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BU of 4bjc by Molmil
Crystal structure of human tankyrase 2 in complex with Rucaparib
分子名称: Rucaparib, SULFATE ION, TANKYRASE-2, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2013-04-18
公開日2013-12-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Evaluation and Structural Basis for the Inhibition of Tankyrases by Parp Inhibitors
Acs Med.Chem.Lett., 5, 2014
4AVW
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BU of 4avw by Molmil
Crystal structure of human tankyrase 2 in complex with TIQ-A
分子名称: 4H-thieno[2,3-c]isoquinolin-5-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2012-05-29
公開日2012-06-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Evaluation and Structural Basis for the Inhibition of Tankyrases by Parp Inhibitors
Acs Med.Chem.Lett., 5, 2014
2JHI
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BU of 2jhi by Molmil
Structure of globular heads of M-ficolin complexed with N-acetyl-D- galactosamine
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, FICOLIN-1
著者Garlatti, V, Martin, L, Gout, E, Reiser, J.B, Arlaud, G.J, Thielens, N.M, Gaboriaud, C.
登録日2007-02-22
公開日2007-10-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Innate Immune Sensing by M-Ficolin and its Control by a Ph-Dependent Conformational Switch.
J.Biol.Chem., 282, 2007
4B29
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BU of 4b29 by Molmil
Crystal structures of DMSP lyases RdDddP and RnDddQII
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, DIMETHYLSULFONIOPROPIONATE LYASE, ...
著者Hehemann, J.H, Law, A, Redecke, L, Boraston, A.B.
登録日2012-07-12
公開日2012-07-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal Structures of Dmsp Lyases Rddddp and Rndddqii
To be Published
4AT2
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BU of 4at2 by Molmil
The crystal structure of 3-ketosteroid-delta4-(5alpha)-dehydrogenase from Rhodococcus jostii RHA1 in complex with 4-androstene-3,17- dione
分子名称: 3-KETOSTEROID-DELTA4-5ALPHA-DEHYDROGENASE, 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, ...
著者van Oosterwijk, N, Knol, J, Dijkhuizen, L, van der Geize, R, Dijkstra, B.W.
登録日2012-05-03
公開日2012-08-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and Catalytic Mechanism of 3-Ketosteroid-{Delta}4-(5Alpha)-Dehydrogenase from Rhodococcus Jostii Rha1 Genome.
J.Biol.Chem., 287, 2012
4AVU
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BU of 4avu by Molmil
Crystal structure of human tankyrase 2 in complex with 6(5H)- phenanthridinone
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2012-05-29
公開日2012-06-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Evaluation and Structural Basis for the Inhibition of Tankyrases by Parp Inhibitors
Acs Med.Chem.Lett., 5, 2014
4C1X
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BU of 4c1x by Molmil
Carbohydrate binding domain from Streptococcus pneumoniae NanA sialidase complexed with 6'-sialyllactose
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, SIALIDASE A
著者Yang, L, Connaris, H, Potter, J.A, Taylor, G.L.
登録日2013-08-14
公開日2014-09-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural Characterization of the Carbohydrate-Binding Module of Nana Sialidase, a Pneumococcal Virulence Factor.
Bmc Struct.Biol., 15, 2015
7YQT
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SARS-CoV-2 BA.2.75 S Trimer (1 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Wang, L.
登録日2022-08-08
公開日2022-10-19
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
7YR3
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BU of 7yr3 by Molmil
SARS-CoV-2 BA.2.75 S Trimer in complex with ACE2(state2)
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Wang, L.
登録日2022-08-08
公開日2022-10-19
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
7YQV
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pH 5.5 SARS-CoV-2 BA.2.75 S Trimer (1 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Wang, L.
登録日2022-08-08
公開日2022-10-19
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
4BTL
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BU of 4btl by Molmil
Aromatic interactions in acetylcholinesterase-inhibitor complexes
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ...
著者Andersson, C.D, Forsgren, N, Akfur, C, Allgardsson, A, Qian, W, Engdahl, C, Berg, L, Ekstrom, F, Linusson, A.
登録日2013-06-18
公開日2013-09-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
7YR1
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BU of 7yr1 by Molmil
SARS-CoV-2 BA.2.75 S Trimer in complex with XG2v024
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Wang, L.
登録日2022-08-08
公開日2022-10-19
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.62 Å)
主引用文献Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
7YR2
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BU of 7yr2 by Molmil
SARS-CoV-2 BA.2.75 S Trimer in complex with ACE2(state1)
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Wang, L.
登録日2022-08-08
公開日2022-10-19
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
7YQZ
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SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (state3)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S309 heavy chain, S309 light chain, ...
著者Wang, L.
登録日2022-08-08
公開日2022-10-19
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
7YQU
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BU of 7yqu by Molmil
SARS-CoV-2 BA.2.75 S Trimer (3 RBD Down)
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Wang, L.
登録日2022-08-08
公開日2022-10-19
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
7YR0
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BU of 7yr0 by Molmil
SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (interface)
分子名称: Heavy chain of S309, IGK@ protein, Spike protein S1, ...
著者Wang, L.
登録日2022-08-08
公開日2022-10-19
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.98 Å)
主引用文献Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
4C34
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BU of 4c34 by Molmil
PKA-S6K1 Chimera with Staurosporine bound
分子名称: CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, GLYCEROL, ...
著者Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M.
登録日2013-08-21
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
7YQW
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SARS-CoV-2 BA.2.75 S Trimer (3 RBD Down)
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Wang, L.
登録日2022-08-08
公開日2022-10-19
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
4CDL
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BU of 4cdl by Molmil
Crystal Structure of Retro-aldolase RA110.4-6 Complexed with Inhibitor 1-(6-methoxy-2-naphthalenyl)-1,3-butanedione
分子名称: (2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one, STEROID DELTA-ISOMERASE
著者Pinkas, D.M, Studer, S, Obexer, R, Giger, L, Gruetter, M.G, Baker, D, Hilvert, D.
登録日2013-11-01
公開日2014-11-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Active Site Plasticity of a Computationally Designed Retro-Aldolase Enzyme
To be Published
7YQX
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SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (state1)
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, S309 heavy chain, ...
著者Wang, L.
登録日2022-08-08
公開日2022-10-19
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
7YQY
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SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (state2)
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, S309 heavy chain, ...
著者Wang, L.
登録日2022-08-08
公開日2022-10-19
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
4BUS
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BU of 4bus by Molmil
Crystal structure of human tankyrase 2 in complex with 2-(4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenoxy)acetic acid
分子名称: 2-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenoxy]ethanoic acid, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2013-06-24
公開日2013-10-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
4BUA
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BU of 4bua by Molmil
Crystal structure of human tankyrase 2 in complex with 2-(4-(methylsulfanyl)phenyl)-3,4-dihydroquinazolin-4-one
分子名称: 2-(4-methylsulfanylphenyl)-3H-quinazolin-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2013-06-20
公開日2013-10-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
4BUW
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Crystal structure of human tankyrase 2 in complex with 2-(4-(2-oxo-1, 3-oxazolidin-3-yl)phenyl)-3,4-dihydroquinazolin-4-one
分子名称: 2-[4-(2-OXO-1,3-OXAZOLIDIN-3-YL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2013-06-24
公開日2013-10-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013

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