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6O8U
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BU of 6o8u by Molmil
Crystal structure of IRAK4 in complex with compound 23
分子名称: GLYCEROL, Interleukin-1 receptor-associated kinase 4, N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, ...
著者Kiefer, J.R, Yu, C, Drobnick, J, Bryan, M.C, Lupardus, P.J.
登録日2019-03-12
公開日2019-05-22
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
6O95
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Structure of the IRAK4 kinase domain with compound 41
分子名称: Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION
著者Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J.
登録日2019-03-13
公開日2019-05-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
5M2W
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BU of 5m2w by Molmil
Structure of nanobody nb18 raised against TssK from E. coli T6SS
分子名称: Llama nanobody nb8 against TssK from T6SS, SULFATE ION
著者Cambillau, C, Nguyen, V.S, Spinelli, S, Desmyter, A.
登録日2016-10-13
公開日2017-06-28
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Type VI secretion TssK baseplate protein exhibits structural similarity with phage receptor-binding proteins and evolved to bind the membrane complex.
Nat Microbiol, 2, 2017
6O94
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BU of 6o94 by Molmil
Structure of the IRAK4 kinase domain with compound 17
分子名称: CALCIUM ION, Interleukin-1 receptor-associated kinase 4, N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
著者Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J.
登録日2019-03-13
公開日2019-05-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
7XRJ
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BU of 7xrj by Molmil
crystal structure of N-acetyltransferase DgcN-25328
分子名称: Putative NAD-dependent epimerase/dehydratase family protein, SULFATE ION
著者Zhang, Y.Z, Yu, Y, Cao, H.Y, Chen, X.L, Wang, P.
登録日2022-05-10
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel D-glutamate catabolic pathway in marine Proteobacteria and halophilic archaea.
Isme J, 17, 2023
4NWL
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BU of 4nwl by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide
分子名称: HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION
著者Muckelbauer, J.K, Klei, H.E.
登録日2013-12-06
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
2NZ0
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BU of 2nz0 by Molmil
Crystal structure of potassium channel Kv4.3 in complex with its regulatory subunit KChIP1
分子名称: CALCIUM ION, Kv channel-interacting protein 1, Potassium voltage-gated channel subfamily D member 3, ...
著者Wang, H, Yan, Y, Shen, Y, Chen, L, Wang, K.
登録日2006-11-22
公開日2006-12-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for modulation of Kv4 K(+) channels by auxiliary KChIP subunits.
Nat.Neurosci., 10, 2007
7MWY
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BU of 7mwy by Molmil
Structure of the drosophila STING cyclic dinucleotide binding domain
分子名称: STING
著者Slavik, K.M, Ragucci, A.E, Kranzusch, P.J.
登録日2021-05-17
公開日2021-07-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献cGAS-like receptors sense RNA and control 3'2'-cGAMP signalling in Drosophila.
Nature, 597, 2021
7MWZ
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BU of 7mwz by Molmil
Structure of drosophila STING in complex with 3'2'-cGAMP
分子名称: 3'2'-cGAMP, STING
著者Slavik, K.M, Ragucci, A.E, Kranzusch, P.J.
登録日2021-05-17
公開日2021-07-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献cGAS-like receptors sense RNA and control 3'2'-cGAMP signalling in Drosophila.
Nature, 597, 2021
7XX4
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BU of 7xx4 by Molmil
designed glycosyltransferase
分子名称: Oleandomycin glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Lu, M, Wu, X.
登録日2022-05-28
公開日2023-06-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Design of a chimeric glycosyltransferase OleD for the site-specific O-monoglycosylation of 3-hydroxypyridine in nosiheptide.
Microb Biotechnol, 16, 2023
4QDJ
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BU of 4qdj by Molmil
Crystal structure of magnesium protoporphyrin IX methyltransferase (ChlM) from Synechocystis PCC 6803 with bound SAM
分子名称: GLYCEROL, Magnesium-protoporphyrin O-methyltransferase, S-ADENOSYLMETHIONINE
著者Chen, X, Wang, X, Liu, L.
登録日2014-05-14
公開日2014-08-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the catalytic mechanism of Synechocystis magnesium protoporphyrin IX O-methyltransferase (ChlM).
J.Biol.Chem., 289, 2014
4QDK
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BU of 4qdk by Molmil
Crystal structure of magnesium protoporphyrin IX methyltransferase (ChlM) from Synechocystis PCC 6803 with bound SAH
分子名称: GLYCEROL, Magnesium-protoporphyrin O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Chen, X, Wang, X, Liu, L.
登録日2014-05-14
公開日2014-08-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into the catalytic mechanism of Synechocystis magnesium protoporphyrin IX O-methyltransferase (ChlM).
J.Biol.Chem., 289, 2014
7XUZ
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BU of 7xuz by Molmil
Crystal structure of a HDAC4-MEF2A-DNA ternary complex
分子名称: DNA (5'-D(*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*A)-3'), Histone deacetylase 4, ...
著者Dai, S.Y, Guo, L, Dey, R, Guo, M, Bates, D, Cayford, J, Chen, X.J, Wei, X.D, Chen, L, Chen, Y.H.
登録日2022-05-20
公開日2023-11-29
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (3.591 Å)
主引用文献Structural insights into the HDAC4-MEF2A-DNA complex and its implication in long-range transcriptional regulation.
Nucleic Acids Res., 52, 2024
7C02
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BU of 7c02 by Molmil
Crystal structure of dimeric MERS-CoV receptor binding domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Dai, L, Qi, J, Gao, G.F.
登録日2020-04-30
公開日2020-07-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献A Universal Design of Betacoronavirus Vaccines against COVID-19, MERS, and SARS.
Cell, 182, 2020
5UM1
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BU of 5um1 by Molmil
XFEL structure of influenza A M2 wild type TM domain at intermediate pH in the lipidic cubic phase at room temperature
分子名称: CALCIUM ION, CHLORIDE ION, Matrix protein 2
著者Thomaston, J.L, Woldeyes, R.A, Fraser, J.S, DeGrado, W.F.
登録日2017-01-25
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7N0X
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BU of 7n0x by Molmil
Rhesusized RV144 DH827 Fab bound to HIV-1 Env V2 peptide
分子名称: DI(HYDROXYETHYL)ETHER, Glycoprotein 120, Rhesusized RV144 DH827 heavy chain Fab fragment, ...
著者Tolbert, W.D, Pazgier, M.
登録日2021-05-26
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Fc-Effector Function of Rhesusized Variants of Human Anti-HIV-1 IgG1s.
Front Immunol, 12, 2021
7N8Q
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BU of 7n8q by Molmil
Rhesusized RV305 DH677.3 Fab bound to Clade A/E 93TH057 HIV-1 gp120 core.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, M48U1 CD4 MIMETIC PEPTIDE, Rhesusized DH677.3 FAB HEAVY CHAIN, ...
著者Tolbert, W.D, Pazgier, M.
登録日2021-06-15
公開日2022-04-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure and Fc-Effector Function of Rhesusized Variants of Human Anti-HIV-1 IgG1s.
Front Immunol, 12, 2021
4PRJ
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BU of 4prj by Molmil
Aurora A kinase domain with compound 2 (N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide)
分子名称: Aurora kinase A, N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
著者Ultsch, M, Eigenbrot, C.
登録日2014-03-05
公開日2014-07-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors.
J.Med.Chem., 57, 2014
4PQN
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BU of 4pqn by Molmil
ITK kinase domain with compound GNE-9822
分子名称: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者McEwan, P.A, Barker, J.J, Eigenbrot, C.
登録日2014-03-03
公開日2014-07-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors.
J.Med.Chem., 57, 2014
4ZXM
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BU of 4zxm by Molmil
Crystal structure of PGRP domain from Branchiostoma belcheri tsingtauense peptidoglycan recognition protein 3
分子名称: PGRP domain of peptidoglycan recognition protein 3
著者Wang, W.J, Cheng, W, Jiang, Y.L, Yu, H.M, Luo, M.
登録日2015-05-20
公開日2015-10-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Activity Augmentation of Amphioxus Peptidoglycan Recognition Protein BbtPGRP3 via Fusion with a Chitin Binding Domain
Plos One, 10, 2015
3B64
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BU of 3b64 by Molmil
Macrophage Migration Inhibitory Factor (MIF) From /Leishmania Major
分子名称: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor-like protein
著者Zierow, S, Cho, Y, Lolis, E.
登録日2007-10-27
公開日2008-06-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献A leishmania ortholog of macrophage migration inhibitory factor modulates host macrophage responses.
J.Immunol., 180, 2008
7WEB
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BU of 7web by Molmil
SARS-CoV-2 Omicron variant spike protein with two XGv347 binding to two open state RBDs
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, X, Wang, L.
登録日2021-12-23
公開日2022-05-04
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7WEE
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BU of 7wee by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv265
分子名称: Spike glycoprotein, The heavy chain of Fab XGv265, The light chain of Fab XGv265
著者Wang, X, Wang, L.
登録日2021-12-23
公開日2022-05-04
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7WEF
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BU of 7wef by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv289
分子名称: Spike protein S1, The heavy chain of Fab XGv289, The light chain of Fab XGv289
著者Wang, X, Wang, L.
登録日2021-12-23
公開日2022-05-04
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7WE9
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BU of 7we9 by Molmil
SARS-CoV-2 Omicron variant spike protein in complex with Fab XGv289
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, X, Wang, L.
登録日2021-12-23
公開日2022-05-04
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022

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