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6L15
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BU of 6l15 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
分子名称: 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine, Serine/threonine-protein kinase pim-1
著者Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
登録日2019-09-27
公開日2020-05-27
最終更新日2020-07-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
8GQD
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BU of 8gqd by Molmil
Complex Structure of Arginine Kinase McsB and McsA from Staphylococcus aureus
分子名称: Protein-arginine kinase, Protein-arginine kinase activator protein, ZINC ION
著者Lu, K, Luo, B, Tao, X, Li, H, Xie, Y, Zhao, Z, Xia, W, Su, Z, Mao, Z.
登録日2022-08-30
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Complex Structure and Activation Mechanism of Arginine Kinase McsB by McsA
To Be Published
6KEV
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BU of 6kev by Molmil
Reduced phosphoribulokinase from Synechococcus elongatus PCC 7942 complexed with adenosine diphosphate and glucose 6-phosphate
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ...
著者Yu, A, Xie, Y, Li, M.
登録日2019-07-05
公開日2020-05-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.506139 Å)
主引用文献Photosynthetic Phosphoribulokinase Structures: Enzymatic Mechanisms and the Redox Regulation of the Calvin-Benson-Bassham Cycle.
Plant Cell, 32, 2020
6KEZ
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BU of 6kez by Molmil
Crystal structure of GAPDH/CP12/PRK complex from Arabidopsis thaliana
分子名称: Calvin cycle protein CP12-2, Glyceraldehyde-3-phosphate dehydrogenase GAPA1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Yu, A, Xie, Y, Li, M.
登録日2019-07-05
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Photosynthetic Phosphoribulokinase Structures: Enzymatic Mechanisms and the Redox Regulation of the Calvin-Benson-Bassham Cycle.
Plant Cell, 32, 2020
6KEW
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BU of 6kew by Molmil
Crystal structure of oxidized phosphoribulokinase from Arabidopsis thaliana
分子名称: Phosphoribulokinase
著者Yu, A, Xie, Y, Li, M.
登録日2019-07-05
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Photosynthetic Phosphoribulokinase Structures: Enzymatic Mechanisms and the Redox Regulation of the Calvin-Benson-Bassham Cycle.
Plant Cell, 32, 2020
6KEX
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BU of 6kex by Molmil
Crystal structure of reduced phosphoribulokinase from Arabidopsis thaliana
分子名称: Phosphoribulokinase
著者Yu, A, Xie, Y, Li, M.
登録日2019-07-05
公開日2020-05-13
最終更新日2020-05-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Photosynthetic Phosphoribulokinase Structures: Enzymatic Mechanisms and the Redox Regulation of the Calvin-Benson-Bassham Cycle.
Plant Cell, 32, 2020
7WDL
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BU of 7wdl by Molmil
Fungal immunomodulatory protein FIP-nha
分子名称: Fungal immunomodulatory protein
著者Liu, Y, Bastiaan-Net, S, Zhang, Y, Hoppenbrouwers, T, Xie, Y, Wang, Y, Wei, X, Du, G, Zhang, H, Imam, K.M.S.U, Wichers, H.J, Li, Z.
登録日2021-12-22
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Linking the thermostability of FIP-nha (Nectria haematococca) to its structural properties.
Int.J.Biol.Macromol., 213, 2022
7VQ2
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BU of 7vq2 by Molmil
Structure of Apo-hsTRPM2 channel TM domain
分子名称: Transient receptor potential cation channel subfamily M member 2
著者Yu, X.F, Xie, Y, Zhang, X.K, Ma, C, Guo, J.T, Yang, F, Yang, W.
登録日2021-10-18
公開日2021-12-22
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Structural and functional basis of the selectivity filter as a gate in human TRPM2 channel.
Cell Rep, 37, 2021
7VQ1
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Structure of Apo-hsTRPM2 channel
分子名称: Transient receptor potential cation channel subfamily M member 2
著者Yu, X.F, Xie, Y, Zhang, X.K, Ma, C, Guo, J.T, Yang, F, Yang, W.
登録日2021-10-18
公開日2021-12-22
実験手法ELECTRON MICROSCOPY (3.76 Å)
主引用文献Structural and functional basis of the selectivity filter as a gate in human TRPM2 channel.
Cell Rep, 37, 2021
7XSV
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BU of 7xsv by Molmil
Crystal Structures of PIM1 in Complex with Macrocyclic Compound H3
分子名称: 8-Methyl-2,5,20-trioxa-8,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene, Serine/threonine-protein kinase pim-1
著者Shen, C, Xie, Y, Ren, X, Zhou, Y, Niu, H.
登録日2022-05-15
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Design, synthesis, and bioactivity evaluation of macrocyclic benzo[b]pyrido[4,3-e][1,4]oxazine derivatives as novel Pim-1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 72, 2022
7WRH
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BU of 7wrh by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with mouse ACE2
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, Processed angiotensin-converting enzyme 2, ...
著者Han, P, Xie, Y, Qi, J.
登録日2022-01-26
公開日2023-02-01
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s.
Cell Discov, 8, 2022
7WRI
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BU of 7wri by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike receptor-binding domain in complex with mouse ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein, ...
著者Han, P, Xie, Y, Qi, J.
登録日2022-01-26
公開日2022-06-08
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s.
Cell Discov, 8, 2022
7WRA
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BU of 7wra by Molmil
Mouse TRPM8 in LMNG in ligand-free state
分子名称: SODIUM ION, Transient receptor potential cation channel subfamily M member 8
著者Zhao, C, Xie, Y, Guo, J.
登録日2022-01-26
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structures of a mammalian TRPM8 in closed state.
Nat Commun, 13, 2022
7WRC
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BU of 7wrc by Molmil
Mouse TRPM8 in LMNG in the presence of calcium, icilin and PI(4,5)P2
分子名称: CALCIUM ION, Icilin, Transient receptor potential cation channel subfamily M member 8
著者Zhao, C, Xie, Y, Guo, J.
登録日2022-01-26
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Structures of a mammalian TRPM8 in closed state.
Nat Commun, 13, 2022
7WRB
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BU of 7wrb by Molmil
Mouse TRPM8 in LMNG in the presence of calcium
分子名称: CALCIUM ION, Transient receptor potential cation channel subfamily M member 8
著者Zhao, C, Xie, Y, Guo, J.
登録日2022-01-26
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Structures of a mammalian TRPM8 in closed state.
Nat Commun, 13, 2022
7WRE
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BU of 7wre by Molmil
Mouse TRPM8 in lipid nanodiscs in the presence of calcium and icilin
分子名称: CALCIUM ION, Icilin, Transient receptor potential cation channel subfamily M member 8
著者Zhao, C, Xie, Y, Guo, J.
登録日2022-01-26
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (2.52 Å)
主引用文献Structures of a mammalian TRPM8 in closed state.
Nat Commun, 13, 2022
7WRD
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BU of 7wrd by Molmil
Mouse TRPM8 in LMNG in the presence of calcium and icilin
分子名称: CALCIUM ION, Icilin, Transient receptor potential cation channel subfamily M member 8
著者Zhao, C, Xie, Y, Guo, J.
登録日2022-01-26
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structures of a mammalian TRPM8 in closed state.
Nat Commun, 13, 2022
7WRF
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BU of 7wrf by Molmil
Mouse TRPM8 in lipid nanodiscs in the presence of calcium, icilin and PI(4,5)P2
分子名称: CALCIUM ION, Icilin, SODIUM ION, ...
著者Zhao, C, Xie, Y, Guo, J.
登録日2022-01-26
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structures of a mammalian TRPM8 in closed state.
Nat Commun, 13, 2022
6PNN
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BU of 6pnn by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(N-(2-methoxyethyl)-N-methylsulfamoyl)phenyl)acetamide
分子名称: 2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
著者Oakley, A.J.
登録日2019-07-02
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
6PNM
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BU of 6pnm by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(morpholinosulfonyl)phenyl)acetamide
分子名称: 2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
著者Oakley, A.J.
登録日2019-07-02
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
6PNO
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BU of 6pno by Molmil
Human GSTO1-1 complexed with 2-chloro-N-(4-chloro-3-(N-isopropylsulfamoyl)phenyl)acetamide
分子名称: 2-chloro-N-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide, Glutathione S-transferase omega-1, L(+)-TARTARIC ACID, ...
著者Oakley, A.J.
登録日2019-07-02
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Development of Benzenesulfonamide Derivatives as Potent Glutathione Transferase Omega-1 Inhibitors.
J.Med.Chem., 63, 2020
6ABS
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BU of 6abs by Molmil
Actin interacting protein 5 (Aip5, mutant)
分子名称: Actin binding protein, PENTAETHYLENE GLYCOL, TRIETHYLENE GLYCOL
著者Sun, J, Ying, X, Toh, J, Hong, W, Miao, Y, Gao, Y.G.
登録日2018-07-23
公開日2019-11-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Polarisome scaffolder Spa2-mediated macromolecular condensation of Aip5 for actin polymerization.
Nat Commun, 10, 2019
7VKA
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BU of 7vka by Molmil
Crystal Structure of GH3.6 in complex with an inhibitor
分子名称: ADENOSINE MONOPHOSPHATE, GLYCEROL, Indole-3-acetic acid-amido synthetase GH3.6, ...
著者Wang, N, Luo, M, Bao, H, Huang, H.
登録日2021-09-29
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Chemical genetic screening identifies nalacin as an inhibitor of GH3 amido synthetase for auxin conjugation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7EQG
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BU of 7eqg by Molmil
Structure of Csy-AcrIF5
分子名称: AcrIF5, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ...
著者Zhang, L, Feng, Y.
登録日2021-05-01
公開日2022-03-09
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献AcrIF5 specifically targets DNA-bound CRISPR-Cas surveillance complex for inhibition.
Nat.Chem.Biol., 18, 2022
7F45
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Structure of an Anti-CRISPR protein
分子名称: AcrIF5
著者Feng, Y.
登録日2021-06-17
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.52 Å)
主引用文献AcrIF5 specifically targets DNA-bound CRISPR-Cas surveillance complex for inhibition.
Nat.Chem.Biol., 18, 2022

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