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8D4N
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BU of 8d4n by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166Q Mutant
分子名称: 3C-like proteinase nsp5
著者Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-06-02
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir.
Biorxiv, 2022
7U1D
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BU of 7u1d by Molmil
Crystal structure of arabidopsis thaliana acetohydroxyacid synthase P197T mutant in complex with chlorimuron-ethyl
分子名称: (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, ...
著者Guddat, L.W, Cheng, Y.
登録日2022-02-21
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Structural basis of resistance to herbicides that target acetohydroxyacid synthase.
Nat Commun, 13, 2022
7U25
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Crystal structure of arabidopsis thaliana acetohydroxyacid synthase W574L mutant in complex with bispyribac-sodium
分子名称: 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 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Guddat, L.W, Cheng, Y.
登録日2022-02-23
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Structural basis of resistance to herbicides that target acetohydroxyacid synthase.
Nat Commun, 13, 2022
7U1U
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BU of 7u1u by Molmil
Crystal structure of arabidopsis thaliana acetohydroxyacid synthase W574L mutant
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, chloroplastic, ...
著者Guddat, L.W, Cheng, Y.
登録日2022-02-22
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Structural basis of resistance to herbicides that target acetohydroxyacid synthase.
Nat Commun, 13, 2022
7TZZ
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BU of 7tzz by Molmil
Crystal structure of arabidopsis thaliana acetohydroxyacid synthase P197T mutant in complex with bispyribac-sodium
分子名称: 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid, 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ...
著者Guddat, L.W, Cheng, Y.
登録日2022-02-16
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural basis of resistance to herbicides that target acetohydroxyacid synthase.
Nat Commun, 13, 2022
6QOZ
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BU of 6qoz by Molmil
CryoEM reconstruction of Cowpea Mosaic Virus (CPMV) bound to an Affimer reagent
分子名称: Affimer binding protein, Cowpea mosaic virus large subunit, RNA2 polyprotein
著者Hesketh, E.L, Tiede, C, Adamson, H, Adams, T.L, Byrne, M.J, Meshcheriakova, Y, Lomonossoff, G.P, Kruse, I, McPherson, M.J, Tomlinson, D.C, Ranson, N.A.
登録日2019-02-13
公開日2019-12-18
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Affimer reagents as tools in diagnosing plant virus diseases.
Sci Rep, 9, 2019
8EHL
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BU of 8ehl by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144M Mutant
分子名称: 3C-like proteinase nsp5
著者Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-09-14
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144M Mutant
To Be Published
8EHJ
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BU of 8ehj by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Q Mutant
分子名称: 3C-like proteinase nsp5
著者Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-09-14
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Q Mutant
To Be Published
6XD7
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BU of 6xd7 by Molmil
KPC-2 N170A mutant bound to hydrolyzed ampicillin at 1.65 A
分子名称: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL
著者Pemberton, O.A, Chen, Y.
登録日2020-06-10
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献KPC-2 beta-lactamase enables carbapenem antibiotic resistance through fast deacylation of the covalent intermediate.
J.Biol.Chem., 296, 2020
6XD5
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Apo KPC-2 N170A mutant at 1.20 A
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION
著者Pemberton, O.A, Chen, Y.
登録日2020-06-10
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献KPC-2 beta-lactamase enables carbapenem antibiotic resistance through fast deacylation of the covalent intermediate.
J.Biol.Chem., 296, 2020
7LYI
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BU of 7lyi by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-3
分子名称: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
著者Sacco, M, Wang, J, Chen, Y.
登録日2021-03-07
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
7LYH
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BU of 7lyh by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-1
分子名称: 3C-like proteinase, GLYCEROL, benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
著者Sacco, M, Wang, J, Chen, Y.
登録日2021-03-07
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
6M23
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BU of 6m23 by Molmil
Overall structure of KCC2
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, CHLORIDE ION, ...
著者Chi, X.M, Li, X.R, Chen, Y, Zhang, Y.Y, Su, Q, Zhou, Q.
登録日2020-02-26
公開日2020-11-04
最終更新日2021-05-19
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures of the full-length human KCC2 and KCC3 cation-chloride cotransporters.
Cell Res., 31, 2021
6M1Y
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BU of 6m1y by Molmil
The overall structure of KCC3
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, CHLORIDE ION, ...
著者Chi, X.M, Li, X.R, Chen, Y, Zhang, Y.Y, Su, Q, Zhou, Q.
登録日2020-02-26
公開日2020-11-04
最終更新日2021-05-19
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures of the full-length human KCC2 and KCC3 cation-chloride cotransporters.
Cell Res., 31, 2021
6UTG
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BU of 6utg by Molmil
Allosteric coupling between alpha-rings of the 20S proteasome, 20S singly capped with a PA26/V230F
分子名称: Proteasome activator protein PA26, Proteasome subunit alpha, Proteasome subunit beta
著者Yu, Z, Cheng, Y.
登録日2019-10-29
公開日2020-09-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Allosteric coupling between alpha-rings of the 20S proteasome.
Nat Commun, 11, 2020
7KOD
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BU of 7kod by Molmil
Cryo-EM structure of heavy chain mouse apoferritin
分子名称: Ferritin heavy chain
著者Sun, M, Azumaya, C, Tse, E, Frost, A, Southworth, D, Verba, K.A, Cheng, Y, Agard, D.A.
登録日2020-11-08
公開日2020-12-16
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (1.655 Å)
主引用文献Practical considerations for using K3 cameras in CDS mode for high-resolution and high-throughput single particle cryo-EM.
J.Struct.Biol., 213, 2021
1WYZ
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BU of 1wyz by Molmil
X-Ray structure of the putative methyltransferase from Bacteroides thetaiotaomicron VPI-5482 at the resolution 2.5 A. Norteast Structural Genomics Consortium target Btr28
分子名称: putative S-adenosylmethionine-dependent methyltransferase
著者Kuzin, A.P, Chen, Y, Forouhar, F, Vorobiev, S.M, Acton, T, Ma, L.-C, Xiao, R, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2005-02-21
公開日2005-03-08
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-Ray structure of the putative methyltransferase from Bacteroides thetaiotaomicron VPI-5482 at the resolution 2.5 A. Norteast Structural Genomics Consortium target Btr28
To be Published
3EY8
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BU of 3ey8 by Molmil
Structure from the mobile metagenome of V. Pseudocholerae. VPC_CASS1
分子名称: Biphenyl-2,3-diol 1,2-dioxygenase III-related protein, SULFATE ION
著者Harrop, S.J, Deshpande, C.N, Sureshan, V, Boucher, Y, Xu, X, Cui, H, Chang, C, Edwards, A, Joachimiak, A, Savchenko, A, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG)
登録日2008-10-20
公開日2009-01-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure from the mobile metagenome of V. Pseudocholerae. VPC_CASS1
To be Published
7L2O
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BU of 7l2o by Molmil
Cryo-EM structure of RTX-bound full-length TRPV1 at pH 5.5
分子名称: Transient receptor potential cation channel subfamily V member 1, resiniferatoxin
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2K
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BU of 7l2k by Molmil
Cryo-EM structure of full-length TRPV1 at pH6b state
分子名称: Transient receptor potential cation channel subfamily V member 1
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2U
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BU of 7l2u by Molmil
cryo-EM structure of DkTx-bound minimal TRPV1 in open state
分子名称: (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate, (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.47 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2R
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BU of 7l2r by Molmil
Cryo-EM structure of DkTx-bound minimal TRPV1 at the pre-open state
分子名称: (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, (9R,12R)-15-amino-12-hydroxy-6,12-dioxo-7,11,13-trioxa-12lambda~5~-phosphapentadecan-9-yl undecanoate, SODIUM ION, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2M
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BU of 7l2m by Molmil
Cryo-EM structure of DkTx/RTX-bound full-length TRPV1
分子名称: SODIUM ION, Tau-theraphotoxin-Hs1a, Transient receptor potential cation channel subfamily V member 1, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2H
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BU of 7l2h by Molmil
Cryo-EM structure of unliganded full-length TRPV1 at neutral pH
分子名称: (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl tridecanoate, (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, SODIUM ION, ...
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021
7L2J
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BU of 7l2j by Molmil
Cryo-EM structure of full-length TRPV1 at pH6c state
分子名称: (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate, Transient receptor potential cation channel subfamily V member 1
著者Zhang, K, Julius, D, Cheng, Y.
登録日2020-12-17
公開日2021-09-22
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Structural snapshots of TRPV1 reveal mechanism of polymodal functionality.
Cell, 184, 2021

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