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4L23
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BU of 4l23 by Molmil
Crystal Structure of p110alpha complexed with niSH2 of p85alpha and PI-103
分子名称: 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
登録日2013-06-04
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
4L2Y
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BU of 4l2y by Molmil
Crystal Structure of p110alpha complexed with niSH2 of p85alpha and compound 9d
分子名称: 3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
登録日2013-06-05
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
4L1B
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BU of 4l1b by Molmil
Crystal Structure of p110alpha complexed with niSH2 of p85alpha
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION
著者Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
登録日2013-06-03
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.586 Å)
主引用文献Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
6A82
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BU of 6a82 by Molmil
Crystal structure of the C-terminal periplasmic domain of EcEptC from Escherichia coli
分子名称: Phosphoethanolamine transferase EptC, SODIUM ION
著者Zhao, Y.Q, Gu, Y.J, Cheng, W.
登録日2018-07-06
公開日2018-12-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and mechanistic insights into polymyxin resistance mediated by EptC originating from Escherichia coli.
FEBS J., 286, 2019
6A83
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BU of 6a83 by Molmil
Crystal structure of the C-terminal periplasmic domain of EcEptC from Escherichia coli complex with Zn
分子名称: Phosphoethanolamine transferase EptC, SODIUM ION, ZINC ION
著者Zhao, Y.Q, Gu, Y.J, Cheng, W.
登録日2018-07-06
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Structural and mechanistic insights into polymyxin resistance mediated by EptC originating from Escherichia coli.
FEBS J., 286, 2019
6IWT
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BU of 6iwt by Molmil
Crystal structure of methyltransferase COMT-S in P. praeruptorum
分子名称: DI(HYDROXYETHYL)ETHER, Pmethyltransferase pCOMT-S
著者Wang, N.N, Zeng, Z.X.
登録日2018-12-06
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献The Molecular and Structural Basis ofO-methylation Reaction in Coumarin Biosynthesis inPeucedanum praeruptorumDunn.
Int J Mol Sci, 20, 2019
8VPN
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BU of 8vpn by Molmil
Phosphorylated human NCC in complex with indapamide
分子名称: 4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide, ADENOSINE-5'-TRIPHOSPHATE, Solute carrier family 12 member 3
著者Zhao, Y.X, Cao, E.H.
登録日2024-01-16
公開日2024-09-04
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural bases for Na + -Cl - cotransporter inhibition by thiazide diuretic drugs and activation by kinases.
Nat Commun, 15, 2024
8VPP
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BU of 8vpp by Molmil
Phosphorylated human NCC in complex with chlorthalidone
分子名称: 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide, Solute carrier family 12 member 3
著者Zhao, Y.X, Cao, E.H.
登録日2024-01-16
公開日2024-09-04
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural bases for Na + -Cl - cotransporter inhibition by thiazide diuretic drugs and activation by kinases.
Nat Commun, 15, 2024
1VBS
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BU of 1vbs by Molmil
STRUCTURE OF CYCLOPHILIN COMPLEXED WITH (D)ALA CONTAINING TETRAPEPTIDE
分子名称: CYCLOPHILIN A, TETRAPEPTIDE
著者Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H.
登録日1998-06-16
公開日1999-01-13
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mapping the stereospecificity of peptidyl prolyl cis/trans isomerases.
FEBS Lett., 432, 1998
8EG6
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BU of 8eg6 by Molmil
huCaspase-6 in complex with inhibitor 2a
分子名称: (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R.
登録日2022-09-11
公開日2023-05-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
8EG5
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BU of 8eg5 by Molmil
huCaspase-6 in complex with inhibitor 3a
分子名称: (3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form), 1,2-ETHANEDIOL, Caspase-6 subunit p11, ...
著者Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R.
登録日2022-09-11
公開日2023-05-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
7C72
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BU of 7c72 by Molmil
Structure of a mycobacterium tuberculosis puromycin-hydrolyzing peptidase
分子名称: D-MALATE, GLYCEROL, Prolyl oligopeptidase
著者Ruiz-Carrillo, D, Zhao, Y.H, Feng, Q, Zhou, X, Zhang, Y, Jiang, J, Lukman, M.
登録日2020-05-22
公開日2021-03-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.00004458 Å)
主引用文献Mycobacterium tuberculosis puromycin hydrolase displays a prolyl oligopeptidase fold and an acyl aminopeptidase activity.
Proteins, 89, 2021
8J9Z
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BU of 8j9z by Molmil
cryo-EM structure of viral topoisomerase in conformation 2
分子名称: DNA topoisomerase 2
著者Deng, Z.
登録日2023-05-05
公開日2023-08-16
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Cryo-EM structures of African swine fever virus topoisomerase.
Mbio, 14, 2023
8J9Y
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BU of 8j9y by Molmil
cryo-EM structure of viral topoisomerase in conformation 1
分子名称: DNA topoisomerase 2
著者Deng, Z.
登録日2023-05-05
公開日2023-08-16
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Cryo-EM structures of African swine fever virus topoisomerase.
Mbio, 14, 2023
7X4B
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BU of 7x4b by Molmil
Crystal Structure of An Anti-CRISPR Protein
分子名称: Anti-CRISPR protein (AcrIIC1), SULFATE ION
著者Hu, J, Zhang, S, Gao, J.Y, Liu, X, Liu, J.
登録日2022-03-02
公開日2022-10-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献A redox switch regulates the assembly and anti-CRISPR activity of AcrIIC1.
Nat Commun, 13, 2022
7CIR
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BU of 7cir by Molmil
Peptide phosphorylation modification of MHC class I molecules
分子名称: ARG-ARG-PHE-SEP-ARG-SER-PRO-ILE-ARG-ARG, Beta-2-microglobulin, MHC class I antigen
著者Sun, M.W, Feng, L, Qi, J.X, Liu, W.J, Gao, G.F.
登録日2020-07-08
公開日2022-03-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Phosphosite-dependent presentation of dual phosphorylated peptides by MHC class I molecules.
Iscience, 25, 2022
7CIQ
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BU of 7ciq by Molmil
Phosphorylation modification of MHC I polypeptide
分子名称: ARG-ARG-PHE-SER-ARG-SER-PRO-ILE-ARG-ARG, Beta-2-microglobulin, MHC class I antigen
著者Sun, M.W, Feng, L, Qi, J.X, Liu, W.J, Gao, G.F.
登録日2020-07-08
公開日2022-03-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Phosphosite-dependent presentation of dual phosphorylated peptides by MHC class I molecules.
Iscience, 25, 2022
7CIS
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BU of 7cis by Molmil
Peptide modification of MHC class I molecules
分子名称: ARG-ARG-PHE-SEP-ARG-SEP-PRO-ILE-ARG, Beta-2-microglobulin, MHC class I antigen
著者Sun, M.W, Feng, L, Qi, J.X, Liu, W.J, Gao, G.F.
登録日2020-07-08
公開日2022-03-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Phosphosite-dependent presentation of dual phosphorylated peptides by MHC class I molecules.
Iscience, 25, 2022
7DYN
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BU of 7dyn by Molmil
Phosphorylation of MHC I peptide
分子名称: ARG-ARG-PHE-SEP-ARG-SEP-PRO-ILE-ARG-ARG, Beta-2-microglobulin, MHC class I antigen
著者Sun, M.W, Feng, L, Qi, J.X, Liu, W.J.
登録日2021-01-22
公開日2022-03-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Phosphosite-dependent presentation of dual phosphorylated peptides by MHC class I molecules.
Iscience, 25, 2022
8CEG
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BU of 8ceg by Molmil
BAR domain protein FAM92A1 essential for mitochondrial membrane remodeling
分子名称: CBY1-interacting BAR domain-containing protein 1
著者Kajander, T, Fudo, S, Yan, Z, Zhao, H.
登録日2023-02-01
公開日2024-02-21
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Membrane remodeling by FAM92A1 during brain development regulates neuronal morphology, synaptic function, and cognition.
Nat Commun, 15, 2024
5QIN
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BU of 5qin by Molmil
TGF-BETA RECEPTOR TYPE 2 KINASE DOMAIN IN COMPLEX WITH N- {4-[3-(6-METHOXYPYRIDIN-3-YL)-1H-PYRROLO[3,2-B]PYRIDIN-2- YL]PYRIDIN-2-YL}ACETAMIDE
分子名称: GLYCEROL, MAGNESIUM ION, N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide, ...
著者Sheriff, S.
登録日2018-08-05
公開日2018-10-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
5QIM
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BU of 5qim by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(5-METHOXYPYRIDIN-2-YL)-1H-PYRROLO[3,2-B] PYRIDIN-2-YL]PYRIDIN-2-YL}ACETAMIDE
分子名称: GLYCEROL, N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1
著者Sheriff, S.
登録日2018-08-05
公開日2018-10-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
5QIL
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BU of 5qil by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-{4-[3-(6-METHOXYPYRIDIN-3-YL)-1H-PYRROLO[3,2-B]PYRIDIN-2-YL]PYRIDIN-2-YL}ACETAMIDE
分子名称: N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide, TGF-beta receptor type-1
著者Sheriff, S.
登録日2018-08-05
公開日2018-10-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents.
ACS Med Chem Lett, 9, 2018
7NX6
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BU of 7nx6 by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab Heavy chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021
7NXA
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BU of 7nxa by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 B.1.351 variant Spike glycoprotein in complex with COVOX-222 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-222 Fab heavy chain, COVOX-222 Fab light chain, ...
著者Zhou, D, Ren, J, Stuart, D.
登録日2021-03-17
公開日2021-04-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Antibody evasion by the P.1 strain of SARS-CoV-2.
Cell, 184, 2021

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