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7M4Y
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BU of 7m4y by Molmil
A. baumannii Ribosome-Eravacycline complex: E-site tRNA 70S
分子名称: 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ...
著者Morgan, C.E, Yu, E.W.
登録日2021-03-22
公開日2021-05-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
6MES
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BU of 6mes by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1907)
分子名称: 1-[(1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-1,3-dihydro-2H-imidazol-2-one, GLYCEROL, METHIONINE, ...
著者Barros-Alvarez, X, Hol, W.G.J.
登録日2018-09-07
公開日2019-09-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-guided discovery of selective methionyl-tRNA synthetase inhibitors with potent activity against Trypanosoma brucei
Rsc Med Chem, 2020
2N5X
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BU of 2n5x by Molmil
C-terminal domain of Cdc37 cochaperone
分子名称: Hsp90 co-chaperone Cdc37
著者Keramisanou, D, Dudhat, A, Pare, M.
登録日2015-08-02
公開日2015-10-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The C-terminal domain of human Cdc37 studied by solution NMR.
J.Biomol.Nmr, 63, 2015
7FAJ
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BU of 7faj by Molmil
CARM1 bound with compound 43
分子名称: Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine
著者Cao, D.Y, Li, J, Xiong, B.
登録日2021-07-06
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2450726 Å)
主引用文献Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy.
J.Med.Chem., 64, 2021
7FAI
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BU of 7fai by Molmil
CARM1 bound with compound 9
分子名称: Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine
著者Cao, D.Y, Li, J, Xiong, B.
登録日2021-07-06
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09749269 Å)
主引用文献Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy.
J.Med.Chem., 64, 2021
5WOB
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BU of 5wob by Molmil
Crystal Structure Analysis of Fab1-Bound Human Insulin Degrading Enzyme (IDE) in Complex with Insulin
分子名称: IDE-bound Fab heavy chain, IDE-bound Fab light chain, Insulin, ...
著者McCord, L.A, Liang, W.G, Farcasanu, M, Wang, A.G, Koide, S, Tang, W.J.
登録日2017-08-01
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.95 Å)
主引用文献Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
8IDN
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BU of 8idn by Molmil
Cryo-EM structure of RBD/E77-Fab complex
分子名称: E77 Fab heavy chain, E77 Fab light chain, Spike protein S1, ...
著者Lu, D.F, Zhang, Z.C.
登録日2023-02-13
公開日2023-06-21
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献The structure of the RBD-E77 Fab complex reveals neutralization and immune escape of SARS-CoV-2.
Acta Crystallogr D Struct Biol, 79, 2023
7TLE
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BU of 7tle by Molmil
Crystal Structure of small molecule beta-lactone 1 covalently bound to K-Ras(G12S)
分子名称: (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Ziyang, Z, Guiley, K.Z, Shokat, K.M.
登録日2022-01-18
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98716748 Å)
主引用文献Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S).
Nat.Chem.Biol., 18, 2022
7TLK
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BU of 7tlk by Molmil
Crystal Structure of K-Ras(G12S)
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Ziyang, Z, Guiley, K.Z, Shokat, K.M.
登録日2022-01-18
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.71102226 Å)
主引用文献Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S).
Nat.Chem.Biol., 18, 2022
7TLG
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BU of 7tlg by Molmil
Crystal Structure of small molecule beta-lactone 5 covalently bound to K-Ras(G12S)
分子名称: (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Ziyang, Z, Guiley, K.Z, Shokat, K.M.
登録日2022-01-18
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.80000722 Å)
主引用文献Chemical acylation of an acquired serine suppresses oncogenic signaling of K-Ras(G12S).
Nat.Chem.Biol., 18, 2022
7NRJ
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BU of 7nrj by Molmil
Crystal Structure of a Class D carbapenemase complexed with iodide
分子名称: 1-BUTANOL, Beta-lactamase, GLYCEROL, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-03-04
公開日2022-03-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O5T
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BU of 7o5t by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Bromide
分子名称: BROMIDE ION, Beta-lactamase
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-04-09
公開日2022-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O9N
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BU of 7o9n by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Bicarbonate
分子名称: BICARBONATE ION, Beta-lactamase
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-04-16
公開日2022-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
4M00
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BU of 4m00 by Molmil
Crystal structure of the ligand binding region of staphylococcal adhesion SraP
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Serine-rich adhesin for platelets, ...
著者Yang, Y.H, Jiang, Y.L, Zhang, J, Wang, L, Chen, Y, Zhou, C.Z.
登録日2013-08-01
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Insights into SraP-Mediated Staphylococcus aureus Adhesion to Host Cells
Plos Pathog., 10, 2014
4LST
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BU of 4lst by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC01 in complex with HIV-1 clade C strain ZM176.66 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, HEAVY CHAIN OF ANTIBODY VRC01, ...
著者Zhou, T, Moquin, S, Kwong, P.D.
登録日2013-07-23
公開日2013-08-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
3F6G
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BU of 3f6g by Molmil
Crystal structure of the regulatory domain of LiCMS in complexed with isoleucine - type II
分子名称: Alpha-isopropylmalate synthase, ISOLEUCINE, SULFATE ION, ...
著者Zhang, P, Ma, J, Zhao, G, Ding, J.
登録日2008-11-06
公開日2009-04-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis of the inhibitor selectivity and insights into the feedback inhibition mechanism of citramalate synthase from Leptospira interrogans
Biochem.J., 421, 2009
6S8N
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BU of 6s8n by Molmil
Cryo-EM structure of LptB2FGC in complex with lipopolysaccharide
分子名称: 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, Inner membrane protein yjgQ, ...
著者Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
登録日2019-07-10
公開日2019-09-25
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019
6S8H
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BU of 6s8h by Molmil
Cryo-EM structure of LptB2FG in complex with LPS
分子名称: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, ...
著者Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
登録日2019-07-10
公開日2019-09-25
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019
6S8G
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BU of 6s8g by Molmil
Cryo-EM structure of LptB2FGC in complex with AMP-PNP
分子名称: Inner membrane protein yjgQ, LPS export ABC transporter permease LptF, Lipopolysaccharide ABC transporter, ...
著者Tang, X.D, Chang, S.H, Luo, Q.H, Zhang, Z.Y, Qiao, W, Xu, C.H, Zhang, C.B, Niu, Y, Yang, W.X, Wang, T, Zhang, Z.B, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
登録日2019-07-10
公開日2019-09-25
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structures of lipopolysaccharide transporter LptB2FGC in lipopolysaccharide or AMP-PNP-bound states reveal its transport mechanism.
Nat Commun, 10, 2019
6D2L
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BU of 6d2l by Molmil
Crystal structure of human CARM1 with (S)-SKI-72
分子名称: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
著者DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2018-04-13
公開日2018-05-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
7ARM
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BU of 7arm by Molmil
LolCDE in complex with lipoprotein and LolA
分子名称: (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, LPP, Lipoprotein-releasing ABC transporter permease subunit LolC, ...
著者Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Shen, C.R, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Wei, X.W, Dong, C.J, Zhang, X, Dong, H.H.
登録日2020-10-25
公開日2021-04-07
最終更新日2021-04-28
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
7ARL
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BU of 7arl by Molmil
LolCDE in complex with lipoprotein and ADP
分子名称: (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, ADENOSINE-5'-DIPHOSPHATE, LPP, ...
著者Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Shen, C.R, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Wei, X.W, Dong, C.J, Zhang, X, Dong, H.H.
登録日2020-10-25
公開日2021-04-07
最終更新日2021-04-28
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
7ARJ
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BU of 7arj by Molmil
LolCDE in complex with lipoprotein and AMPPNP complex undimerized form
分子名称: (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, LPP, Lipoprotein-releasing ABC transporter permease subunit LolC, ...
著者Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
登録日2020-10-25
公開日2021-04-07
最終更新日2021-04-28
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
7ARI
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BU of 7ari by Molmil
LolCDE apo structure
分子名称: Lipoprotein-releasing ABC transporter permease subunit LolC, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolE
著者Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
登録日2020-10-25
公開日2021-04-07
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
7ARK
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BU of 7ark by Molmil
LolCDE in complex with AMP-PNP in the closed NBD state
分子名称: Lipoprotein-releasing ABC transporter permease subunit LolC, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolE, ...
著者Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
登録日2020-10-25
公開日2021-04-07
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021

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