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4JAM
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BU of 4jam by Molmil
Crystal structure of broadly neutralizing anti-hiv-1 antibody ch103
分子名称: 1,2-ETHANEDIOL, ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103, ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103, ...
著者Zhou, T, Moquin, S, Zheng, A, Srivatsan, S, Kwong, P.D.
登録日2013-02-18
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus.
Nature, 496, 2013
6IZQ
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BU of 6izq by Molmil
PRMT4 bound with a bicyclic compound
分子名称: (2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol, Histone-arginine methyltransferase CARM1
著者Xiong, B, Cao, D.Y, Guo, Z.H, Li, Y.L, Li, J, Huang, X, Shen, J.K.
登録日2018-12-20
公開日2019-12-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.449 Å)
主引用文献Design and Synthesis of Potent, Selective Inhibitors of Protein Arginine Methyltransferase 4 against Acute Myeloid Leukemia.
J.Med.Chem., 62, 2019
2LH0
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BU of 2lh0 by Molmil
NMR structure of the histone-interacting N-terminal homodimeric region of Rtt106
分子名称: Histone chaperone RTT106
著者Hu, Q, Cui, G, Mer, G.
登録日2011-08-04
公開日2012-02-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural basis for recognition of H3K56-acetylated histone H3-H4 by the chaperone Rtt106.
Nature, 483, 2012
4OTF
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BU of 4otf by Molmil
Crystal structure of the kinase domain of Bruton's Tyrosine kinase with GDC0834
分子名称: N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK
著者Hymowitz, S.G, Maurer, B.
登録日2014-02-13
公開日2015-01-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Potent and selective Bruton's tyrosine kinase inhibitors: Discovery of GDC-0834.
Bioorg.Med.Chem.Lett., 25, 2015
2LWK
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BU of 2lwk by Molmil
Solution structure of small molecule-influenza RNA complex
分子名称: 6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine, RNA (32-MER)
著者Lee, M.-K, Varani, G, Choi, B.-S, Pellecchia, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-08-01
公開日2012-08-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A novel small-molecule binds to the influenza A virus RNA promoter and inhibits viral replication.
Chem.Commun.(Camb.), 50, 2014
6VFE
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BU of 6vfe by Molmil
Gasdermin D pore
分子名称: Gasdermin-D, N-terminal
著者Xia, S, Ruan, J, Wu, H.
登録日2020-01-03
公開日2021-04-21
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Gasdermin D pore structure reveals preferential release of mature interleukin-1.
Nature, 593, 2021
4M97
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BU of 4m97 by Molmil
Calcium-Dependent Protein Kinase 1 from Neospora caninum
分子名称: Calmodulin-like domain protein kinase isoenzyme gamma, related
著者Merritt, E.A.
登録日2013-08-14
公開日2013-10-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
4PUZ
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BU of 4puz by Molmil
Crystal structure of spleen tyrosine kinase (Syk) in complex with GS-9973
分子名称: 6-(1H-indazol-6-yl)-N-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine, Tyrosine-protein kinase SYK
著者Lansdon, E.B, Mitchell, S.A.
登録日2014-03-14
公開日2014-04-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.085 Å)
主引用文献Discovery of GS-9973, a Selective and Orally Efficacious Inhibitor of Spleen Tyrosine Kinase.
J.Med.Chem., 57, 2014
2JTM
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BU of 2jtm by Molmil
Solution structure of Sso6901 from Sulfolobus solfataricus P2
分子名称: Putative uncharacterized protein
著者Feng, Y, Guo, L, Huang, L, Wang, J.
登録日2007-08-03
公開日2008-04-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Biochemical and structural characterization of Cren7, a novel chromatin protein conserved among Crenarchaea
Nucleic Acids Res., 36, 2008
4PV0
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BU of 4pv0 by Molmil
Crystal structure of spleen tyrosine kinase (Syk) in complex with an imidazopyrazine inhibitor
分子名称: 4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid, CHLORIDE ION, Tyrosine-protein kinase SYK
著者Lansdon, E.B, Mitchell, S.A.
登録日2014-03-14
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of GS-9973, a Selective and Orally Efficacious Inhibitor of Spleen Tyrosine Kinase.
J.Med.Chem., 57, 2014
6WIM
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BU of 6wim by Molmil
CdiB from Escherichia coli
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Outer membrane transporter CdiB
著者Guerin, J, Botos, I, Buchanan, S.K.
登録日2020-04-10
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insight into toxin secretion by contact dependent growth inhibition transporters.
Elife, 9, 2020
6UKA
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BU of 6uka by Molmil
Crystal structure of RHOG and ELMO complex
分子名称: Engulfment and cell motility protein 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Jo, C.H, Killoran, R.C, Smith, M.J.
登録日2019-10-04
公開日2020-08-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state.
Nat Commun, 11, 2020
7WW2
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BU of 7ww2 by Molmil
Structure of an Isocytosine specific deaminase Vcz
分子名称: 8-oxoguanine deaminase, ZINC ION
著者Li, X.J, Wu, B.X.
登録日2022-02-12
公開日2023-02-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy.
Iscience, 26, 2023
2MG8
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BU of 2mg8 by Molmil
Solution structure of TFF1 Estrogen Response Element complexed with DNA Bis-intercalating Anticancer Drug XR5944 (MLN944)
分子名称: 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, 5'-D(*AP*GP*GP*TP*CP*AP*CP*GP*GP*TP*GP*GP*CP*CP*A)-3', 5'-D(*TP*GP*GP*CP*CP*AP*CP*CP*GP*TP*GP*AP*CP*CP*T)-3'
著者Lin, C.
登録日2013-10-30
公開日2014-04-23
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of a 2:1 complex of anticancer drug XR5944 with TFF1 estrogen response element: insights into DNA recognition by a bis-intercalator.
Nucleic Acids Res., 42, 2014
4MXA
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BU of 4mxa by Molmil
CDPK1 from Neospora caninum in complex with inhibitor RM-1-132
分子名称: 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related
著者Merritt, E.A.
登録日2013-09-26
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
4MX9
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BU of 4mx9 by Molmil
CDPK1 from Neospora caninum in complex with inhibitor UW1294
分子名称: 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related
著者Merritt, E.A.
登録日2013-09-26
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
4RX5
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BU of 4rx5 by Molmil
Bruton's tyrosine kinase (BTK) with pyridazinone compound 23
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, N-(6-fluoro-2-methyl-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl)-1-benzothiophene-2-carboxamide, ...
著者Eigenbrot, C, Yu, C.
登録日2014-12-08
公開日2015-12-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.356 Å)
主引用文献Discovery of highly potent and selective Bruton's tyrosine kinase inhibitors: Pyridazinone analogs with improved metabolic stability.
Bioorg.Med.Chem.Lett., 26, 2016
3SXF
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BU of 3sxf by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-89
分子名称: 1,2-ETHANEDIOL, 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
著者Larson, E.T, Merritt, E.A.
登録日2011-07-14
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
3T3V
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BU of 3t3v by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-87
分子名称: 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Larson, E.T, Merritt, E.A.
登録日2011-07-25
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
3T3U
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BU of 3t3u by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with Bumped Kinase Inhibitor, RM-1-130
分子名称: 1,2-ETHANEDIOL, 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
著者Larson, E.T, Merritt, E.A.
登録日2011-07-25
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
8T6B
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BU of 8t6b by Molmil
Human VMAT2 in complex with serotonin
分子名称: SEROTONIN, Synaptic vesicular amine transporter
著者Pidathala, S, Dai, Y, Lee, C.H.
登録日2023-06-15
公開日2023-11-01
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
8T69
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BU of 8t69 by Molmil
Human VMAT2 in complex with tetrabenazine
分子名称: Synaptic vesicular amine transporter, tetrabenazine
著者Pidathala, S, Dai, Y, Lee, C.H.
登録日2023-06-15
公開日2023-11-01
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
8T6A
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BU of 8t6a by Molmil
Human VMAT2 in complex with reserpine
分子名称: Synaptic vesicular amine transporter, reserpine
著者Pidathala, S, Dai, Y, Lee, C.H.
登録日2023-06-15
公開日2023-11-01
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2.
Nature, 623, 2023
6MN6
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BU of 6mn6 by Molmil
Crystal structure of the cytosolic domain of human CNNM3
分子名称: Metal transporter CNNM3
著者Chen, Y.S, Yang, M, Gehring, K.
登録日2018-10-01
公開日2019-10-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献Mg2+-ATP Sensing in CNNM, a Putative Magnesium Transporter.
Structure, 28, 2020
6N7E
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BU of 6n7e by Molmil
Crystal structure of the cytosolic domain of human CNNM2 in complex with AMP-PNP and Mg2+
分子名称: MAGNESIUM ION, Metal transporter CNNM2,Metal transporter CNNM2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Chen, Y.S, Gehring, K.
登録日2018-11-27
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Mg2+-ATP Sensing in CNNM, a Putative Magnesium Transporter.
Structure, 28, 2020

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