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9ERB
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BU of 9erb by Molmil
Hydrogenase-2 Ni-B state
分子名称: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ...
著者Carr, S.B, Li, W, Wong, K.l, Ash, P.A, Vincent, K.A.
登録日2024-03-22
公開日2025-04-02
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Glutamate flick enables proton tunnelling during fast redox biocatalysis
To Be Published
9ER7
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BU of 9er7 by Molmil
Hydrogenase-1 Ni-SCO state
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBON MONOXIDE, CARBONMONOXIDE-(DICYANO) IRON, ...
著者Carr, S.B, Li, W, Wong, K.l, Ash, P.A, Vincent, K.A.
登録日2024-03-22
公開日2025-04-02
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Glutamate flick enables proton tunnelling during fast redox biocatalysis
To Be Published
9ER6
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BU of 9er6 by Molmil
Hydrogenase-1 Ni-SI state
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, ...
著者Carr, S.B, Li, W, Wong, K.L, Ash, P.A, Vincent, K.A.
登録日2024-03-22
公開日2025-04-02
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Glutamate flick enables proton tunnelling during fast redox biocatalysis
To Be Published
9ER5
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BU of 9er5 by Molmil
Hydrogenase-1 Ni-B state poised at +100mV
分子名称: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ...
著者Carr, S.B, Li, W, Wong, K.l, Ash, P.A, Vincent, K.A.
登録日2024-03-22
公開日2025-04-02
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Glutamate flick enables proton tunnelling during fast redox biocatalysis
To Be Published
9ER9
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BU of 9er9 by Molmil
Hydrogenase-1 Ni-R state
分子名称: 2-[[2-[2-[2-[bis(2-hydroxy-2-oxoethyl)amino]phenoxy]ethoxy]phenyl]-(2-hydroxy-2-oxoethyl)amino]ethanoic acid, CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, ...
著者Carr, S.B, Li, W, Wong, K.l, Ash, P.A, Vincent, K.A.
登録日2024-03-22
公開日2025-04-02
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Glutamate flick enables proton tunnelling during fast redox biocatalysis
To Be Published
9ERR
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BU of 9err by Molmil
Hydrogenase-2 Ni-SCO state
分子名称: CARBON MONOXIDE, CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, ...
著者Carr, S.B, Li, W, Wong, K.l, Ash, P.A, Vincent, K.A.
登録日2024-03-25
公開日2025-04-09
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Glutamate flick enables proton tunnelling during fast redox biocatalysis
To Be Published
7XB0
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BU of 7xb0 by Molmil
Crystal structure of Omicron BA.2 RBD complexed with hACE2
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, Angiotensin-converting enzyme 2, ...
著者Li, L, Liao, H, Meng, Y, Li, W.
登録日2022-03-19
公開日2022-07-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1.
Cell, 185, 2022
8YLS
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BU of 8yls by Molmil
Structure of SARS-CoV-2 Mpro in complex with its degrader
分子名称: (4-methoxyphenyl)methyl ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate, 3C-like proteinase nsp5
著者Feng, Y, Li, W, Cheng, S.H, Li, X.B.
登録日2024-03-06
公開日2024-09-04
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Development of novel antivrial agents that induce the degradation of the main protease of human-infecting coronaviruses.
Eur.J.Med.Chem., 275, 2024
6KJJ
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BU of 6kjj by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
分子名称: 4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid, Putative beta-lactamase
著者Xiao, F, Dong, S, Feng, Y, Li, W.
登録日2019-07-22
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.492 Å)
主引用文献Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KJH
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BU of 6kjh by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
分子名称: Putative beta-lactamase, SULFATE ION
著者Xiao, F, Sheng, D, Feng, Y, Li, W.
登録日2019-07-22
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KJQ
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BU of 6kjq by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
分子名称: (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one, Putative beta-lactamase
著者Xiao, F, Dong, S, Feng, Y, Li, W.
登録日2019-07-23
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KJR
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BU of 6kjr by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
分子名称: 4-[[(3~{E},5~{Z},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-14,16-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-4-oxidanylidene-butanoic acid, Putative beta-lactamase
著者Xiao, F, Dong, S, Feng, Y, Li, W.
登録日2019-07-23
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.361 Å)
主引用文献Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KJP
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BU of 6kjp by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
分子名称: (3~{Z},5~{E},8~{S},9~{E},11~{E},14~{S},16~{R},17~{Z},19~{E},24~{R})-24-methyl-8,14,16-tris(oxidanyl)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one, Putative beta-lactamase, SULFATE ION
著者Xiao, F, Dong, S, Feng, Y, Li, W.
登録日2019-07-23
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
6KJT
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BU of 6kjt by Molmil
Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors
分子名称: Putative beta-lactamase, SUCCINIC ACID
著者Xiao, F, Dong, S, Feng, Y, Li, W.
登録日2019-07-23
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.113 Å)
主引用文献Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
J.Am.Chem.Soc., 142, 2020
7XAZ
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BU of 7xaz by Molmil
Crystal structure of Omicron BA.1.1 RBD complexed with hACE2
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, Angiotensin-converting enzyme 2, ...
著者Liao, H, Meng, Y, Li, W.
登録日2022-03-19
公開日2022-07-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1.
Cell, 185, 2022
5XI7
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BU of 5xi7 by Molmil
Crystal structure of T2R-TTL bound with PO-7
分子名称: (6Z)-3-[[2,5-bis(fluoranyl)phenyl]methylidene]-6-[(4-tert-butyl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Chu, Y, Wang, Y, Yang, J, Li, W.
登録日2017-04-26
公開日2017-10-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Synthesis, biological evaluation and X-ray structure of anti-microtubule agents
To Be Published
5XHC
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BU of 5xhc by Molmil
Crystal structure of T2R-TTL-PO10 complex
分子名称: (3Z,6Z)-3-[(4-tert-butyl-1H-imidazol-5-yl)methylidene]-6-[[3-(4-fluorophenyl)carbonylphenyl]methylidene]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Chu, Y, Wang, Y, Yang, J, Li, W.
登録日2017-04-20
公開日2017-10-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Synthesis, biological evaluation and X-ray structure of anti-microtubule agents
To Be Published
7VLA
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BU of 7vla by Molmil
Cryo-EM structure of the CCL15(27-92) bound CCR1-Gi complex
分子名称: C-C chemokine receptor type 1, CCL15(27-92), CHOLESTEROL, ...
著者Shao, Z, Shen, Q, Mao, C, Yao, B, Chen, L, Zhang, H, Shen, D, Zhang, C, Li, W, Du, X, Li, F, Ma, H, Chen, Z, Xu, H.E, Ying, S, Zhang, Y, Shen, H.
登録日2021-10-02
公開日2022-03-23
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Identification and mechanism of G protein-biased ligands for chemokine receptor CCR1.
Nat.Chem.Biol., 18, 2022
7VL8
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BU of 7vl8 by Molmil
Cryo-EM structure of the Apo CCR1-Gi complex
分子名称: C-C chemokine receptor type 1, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Shao, Z, Shen, Q, Mao, C, Yao, B, Chen, L, Zhang, H, Shen, D, Zhang, C, Li, W, Du, X, Li, F, Ma, H, Chen, Z, Xu, H.E, Ying, S, Zhang, Y, Shen, H.
登録日2021-10-02
公開日2022-03-23
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Identification and mechanism of G protein-biased ligands for chemokine receptor CCR1.
Nat.Chem.Biol., 18, 2022
7VL9
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BU of 7vl9 by Molmil
Cryo-EM structure of the CCL15(26-92) bound CCR1-Gi complex
分子名称: C-C chemokine receptor type 1, CCL15(26-92), CHOLESTEROL, ...
著者Shao, Z, Shen, Q, Mao, C, Yao, B, Chen, L, Zhang, H, Shen, D, Zhang, C, Li, W, Du, X, Li, F, Ma, H, Chen, Z, Xu, H.E, Ying, S, Zhang, Y, Shen, H.
登録日2021-10-02
公開日2022-03-23
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Identification and mechanism of G protein-biased ligands for chemokine receptor CCR1.
Nat.Chem.Biol., 18, 2022
7XA3
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BU of 7xa3 by Molmil
Cryo-EM structure of the CCL2 bound CCR2-Gi complex
分子名称: C-C motif chemokine 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Shao, Z, Tan, Y, Shen, Q, Yao, B, Hou, L, Qin, J, Xu, P, Mao, C, Chen, L, Zhang, H, Shen, D, Zhang, C, Li, W, Du, X, Li, F, Chen, Z, Jiang, Y, Xu, H.E, Ying, S, Ma, H, Zhang, Y, Shen, H.
登録日2022-03-17
公開日2022-08-24
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular insights into ligand recognition and activation of chemokine receptors CCR2 and CCR3.
Cell Discov, 8, 2022
7X9Y
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BU of 7x9y by Molmil
Cryo-EM structure of the apo CCR3-Gi complex
分子名称: C-C chemokine receptor type 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Shao, Z, Tan, Y, Shen, Q, Yao, B, Hou, L, Qin, J, Xu, P, Mao, C, Chen, L, Zhang, H, Shen, D, Zhang, C, Li, W, Du, X, Li, F, Chen, Z, Jiang, Y, Xu, H.E, Ying, S, Ma, H, Zhang, Y, Shen, H.
登録日2022-03-16
公開日2022-08-24
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Molecular insights into ligand recognition and activation of chemokine receptors CCR2 and CCR3.
Cell Discov, 8, 2022
8X19
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BU of 8x19 by Molmil
Structure of nucleosome-bound SRCAP-C in the ADP-BeFx-bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
著者Yu, J, Wang, Q, Yu, Z, Li, W, Wang, L, Xu, Y.
登録日2023-11-06
公開日2024-03-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights into histone exchange by human SRCAP complex.
Cell Discov, 10, 2024
8X15
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BU of 8x15 by Molmil
Structure of nucleosome-bound SRCAP-C in the apo state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
著者Yu, J, Wang, Q, Yu, Z, Li, W, Wang, L, Xu, Y.
登録日2023-11-06
公開日2024-03-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights into histone exchange by human SRCAP complex.
Cell Discov, 10, 2024
8X1C
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BU of 8x1c by Molmil
Structure of nucleosome-bound SRCAP-C in the ADP-bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
著者Yu, J, Wang, Q, Yu, Z, Li, W, Wang, L, Xu, Y.
登録日2023-11-06
公開日2024-03-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights into histone exchange by human SRCAP complex.
Cell Discov, 10, 2024

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件を2025-07-09に公開中

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