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7DHV
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BU of 7dhv by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 8
分子名称: 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Wei, T, Xiao, J.
登録日2020-11-17
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.679 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DJO
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BU of 7djo by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 17
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-20
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7DL6
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BU of 7dl6 by Molmil
The co-crystal structure of DYRK2 with a small molecule inhibitor 18
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol
著者Wei, T, Xiao, J.
登録日2020-11-26
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.648 Å)
主引用文献Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry.
Elife, 11, 2022
7CYN
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BU of 7cyn by Molmil
Cryo-EM structure of human TLR7 in complex with UNC93B1
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, Protein unc-93 homolog B1, ...
著者Ohto, U, Ishida, H, Shimizu, T.
登録日2020-09-03
公開日2021-01-06
最終更新日2021-02-24
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryo-EM structures of Toll-like receptors in complex with UNC93B1.
Nat.Struct.Mol.Biol., 28, 2021
7DTZ
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BU of 7dtz by Molmil
FGFR4 complex with a covalent inhibitor
分子名称: Fibroblast growth factor receptor 4, N-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide, SULFATE ION
著者Chen, X.J, Dai, S.Y, Chen, Y.H.
登録日2021-01-07
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Investigation of Covalent Warheads in the Design of 2-Aminopyrimidine-based FGFR4 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7EGV
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BU of 7egv by Molmil
Acetolactate Synthase from Trichoderma harzianum with inhibitor harzianic acid
分子名称: (2S)-3-methyl-2-[[(2S,4R)-1-methyl-4-[(2E,4E)-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid, 1,2-ETHANEDIOL, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ...
著者Zang, X, Xie, L, Chen, M, Tang, Y, Zhou, J.
登録日2021-03-26
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Harzianic Acid from Trichoderma afroharzianum Is a Natural Product Inhibitor of Acetohydroxyacid Synthase.
J.Am.Chem.Soc., 2021
7EHE
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BU of 7ehe by Molmil
Acetolactate Synthase from Trichoderma harzianum
分子名称: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Zang, X, Tang, Y, Zhou, J.
登録日2021-03-29
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Harzianic Acid from Trichoderma afroharzianum Is a Natural Product Inhibitor of Acetohydroxyacid Synthase.
J.Am.Chem.Soc., 2021
7E4Z
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BU of 7e4z by Molmil
Crystal structure of tubulin in complex with Maytansinol
分子名称: (1R,2S,3S,5S,6S,16E,18E,20R,21S)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, Y, Li, W.
登録日2021-02-16
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids.
Biochem.Biophys.Res.Commun., 566, 2021
7E4Q
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BU of 7e4q by Molmil
Crystal structure of tubulin in complex with L-DM1-SMe
分子名称: (1S,2R,3R,5R,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, Y, Li, W.
登録日2021-02-14
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids.
Biochem.Biophys.Res.Commun., 566, 2021
7E4R
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BU of 7e4r by Molmil
Crystal structure of tubulin in complex with D-DM1-SMe
分子名称: (10E,12E)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(3-(methylsulfinothioyl)propanoyl)-D-alaninate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, Y, Li, W.
登録日2021-02-15
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.597 Å)
主引用文献C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids.
Biochem.Biophys.Res.Commun., 566, 2021
1Q38
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BU of 1q38 by Molmil
Anastellin
分子名称: Fibronectin
著者Briknarova, K, Akerman, M.E, Hoyt, D.W, Ruoslahti, E, Ely, K.R.
登録日2003-07-28
公開日2003-11-04
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Anastellin, an FN3 fragment with fibronectin polymerization activity, resembles amyloid fibril precursors
J.Mol.Biol., 332, 2003
7BPH
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BU of 7bph by Molmil
Crystal structure of GppNHp-bound GNAS in complex with the cyclic peptide inhibitor GN13
分子名称: CHLORIDE ION, GLYCEROL, GN13, ...
著者Hu, Q, Dai, S, Shokat, K.M.
登録日2020-03-22
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献State-selective modulation of heterotrimeric G alpha s signaling with macrocyclic peptides.
Cell, 2022
7DXI
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BU of 7dxi by Molmil
Structure of Drosophila melanogaster GlcNAc-1-phosphotransferase
分子名称: CALCIUM ION, FI02838p
著者Du, S, Xiao, J, Guopeng, W.
登録日2021-01-19
公開日2022-02-02
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Structural insights into how GlcNAc-1-phosphotransferase directs lysosomal protein transport.
J.Biol.Chem., 298, 2022
7E5E
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BU of 7e5e by Molmil
Crystal structure of GDP-bound GNAS in complex with the cyclic peptide inhibitor GD20
分子名称: CHLORIDE ION, GD20, GUANOSINE-5'-DIPHOSPHATE, ...
著者Hu, Q, Dai, S, Shokat, K.M.
登録日2021-02-18
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献State-selective modulation of heterotrimeric G alpha s signaling with macrocyclic peptides.
Cell, 185, 2022
3IKF
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BU of 3ikf by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 717, imidazo[2,,1-b][1,3]thiazol-6-ylmethanol
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ACETATE ION, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-08-05
公開日2009-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
7DVM
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BU of 7dvm by Molmil
DgkA structure in E.coli lipid bilayer
分子名称: Diacylglycerol kinase
著者Li, J, Yang, J.
登録日2021-01-13
公開日2022-04-13
最終更新日2023-09-27
実験手法SOLID-STATE NMR
主引用文献Structure of membrane diacylglycerol kinase in lipid bilayers.
Commun Biol, 4, 2021
7BZZ
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BU of 7bzz by Molmil
Crystal structure of the SRCR domain of mouse SCARA5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Scavenger receptor class A member 5
著者Yu, B, He, Y.
登録日2020-04-29
公開日2020-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Interactions of ferritin with scavenger receptor class A members.
J.Biol.Chem., 295, 2020
7C00
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BU of 7c00 by Molmil
Crystal structure of the SRCR domain of human SCARA5.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Scavenger receptor class A member 5
著者Yu, B, He, Y.
登録日2020-04-29
公開日2020-09-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Interactions of ferritin with scavenger receptor class A members.
J.Biol.Chem., 295, 2020
7BV5
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BU of 7bv5 by Molmil
Crystal structure of the yeast heterodimeric ADAT2/3
分子名称: ZINC ION, tRNA-specific adenosine deaminase subunit TAD2, tRNA-specific adenosine deaminase subunit TAD3
著者Xie, W, Liu, X, Chen, R, Sun, Y, Chen, R, Zhou, J, Tian, Q.
登録日2020-04-09
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the yeast heterodimeric ADAT2/3 deaminase.
Bmc Biol., 18, 2020
7EYA
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BU of 7eya by Molmil
Local CryoEM structure of the SARS-CoV-2 S6PV2 in complex with BD-804 Fab
分子名称: BD-804H, BD-804L, Spike glycoprotein, ...
著者Du, S, Xiao, J.
登録日2021-05-30
公開日2021-09-08
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Structures of SARS-CoV-2 B.1.351 neutralizing antibodies provide insights into cocktail design against concerning variants.
Cell Res., 31, 2021
7EY0
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BU of 7ey0 by Molmil
Local CryoEM structure of the SARS-CoV-2 S6PV2 in complex with BD-813 Fab and BD-744 Fab
分子名称: BD-744H, BD-744L, BD-813H, ...
著者Du, S, Xiao, J.
登録日2021-05-29
公開日2021-09-08
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of SARS-CoV-2 B.1.351 neutralizing antibodies provide insights into cocktail design against concerning variants.
Cell Res., 31, 2021
7EZV
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BU of 7ezv by Molmil
local CryoEM structure of the SARS-CoV-2 S6PV2 in complex with BD-812 Fab and BD-836 Fab
分子名称: 812 H, 812L, 836H, ...
著者Liu, P.L.
登録日2021-06-02
公開日2021-09-08
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structures of SARS-CoV-2 B.1.351 neutralizing antibodies provide insights into cocktail design against concerning variants.
Cell Res., 31, 2021
7EY4
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BU of 7ey4 by Molmil
Local CryoEM of the SARS-CoV-2 S6PV2 in complex with BD-667
分子名称: BD-667 H, BD-667 L, Spike glycoprotein, ...
著者Liu, P.L.
登録日2021-05-29
公開日2021-09-08
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Structures of SARS-CoV-2 B.1.351 neutralizing antibodies provide insights into cocktail design against concerning variants.
Cell Res., 31, 2021
4IE0
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BU of 4ie0 by Molmil
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with pyridine-2,4-dicarboxylate (2,4-PDCA)
分子名称: Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, PYRIDINE-2,4-DICARBOXYLIC ACID, ...
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2012-12-13
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
4IE5
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BU of 4ie5 by Molmil
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with N-[(3-hydroxypyridin-2-yl)carbonyl]glycine (MD6)
分子名称: Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, N-[(3-hydroxypyridin-2-yl)carbonyl]glycine, ...
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2012-12-13
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013

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