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3DI6
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BU of 3di6 by Molmil
HIV-1 RT with pyridazinone non-nucleoside inhibitor
分子名称: 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one, Reverse transcriptase/ribonuclease H, p51 RT
著者Harris, S.F, Villasenor, A, Dunten, P.
登録日2008-06-19
公開日2008-08-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and optimization of pyridazinone non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 18, 2008
7VVE
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BU of 7vve by Molmil
Complex structure of a leaf-branch compost cutinase variant in complex with mono(2-hydroxyethyl) terephthalic acid
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, CALCIUM ION, ...
著者Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
登録日2021-11-05
公開日2022-03-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
7W44
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BU of 7w44 by Molmil
Complex structure of a leaf-branch compost cutinase variant LCC ICCG_RIP
分子名称: 1,2-ETHANEDIOL, IMIDAZOLE, Leaf-branch compost cutinase
著者Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
登録日2021-11-26
公開日2022-03-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
7VVC
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BU of 7vvc by Molmil
Crystal structure of inactive mutant of leaf-branch compost cutinase variant
分子名称: ACETATE ION, ACETIC ACID, CALCIUM ION, ...
著者Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
登録日2021-11-05
公開日2022-03-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
7W45
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BU of 7w45 by Molmil
Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KIP
分子名称: CALCIUM ION, Leaf-branch compost cutinase, SODIUM ION
著者Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
登録日2021-11-26
公開日2022-03-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
7W1N
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BU of 7w1n by Molmil
Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KRP
分子名称: 1,2-ETHANEDIOL, BICINE, Leaf-branch compost cutinase
著者Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
登録日2021-11-19
公開日2022-03-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
7VU8
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BU of 7vu8 by Molmil
L7-Tir domain with bound ligand
分子名称: 2',3'- cyclic AMP, Flax rust resistance protein
著者Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J.
登録日2021-11-01
公開日2022-06-01
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
5TIL
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BU of 5til by Molmil
Murine class I major histocompatibility complex H-2 Db in complex with LCMV-derived GP33 altered peptide V3P and T-cell receptor P14
分子名称: Alpha chain of murine P14 T cell receptor, Beta chain of murine T cell receptor P14, Beta-2-microglobulin, ...
著者Achour, A, Sandalova, T, Allerbring, E.B.
登録日2016-10-03
公開日2017-11-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Ternary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant
To be published
4Y4R
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BU of 4y4r by Molmil
Crystal structure of ribosomal oxygenase NO66 dimer mutant
分子名称: ACETATE ION, Bifunctional lysine-specific demethylase and histidyl-hydroxylase NO66, NICKEL (II) ION
著者Wang, C, Hang, T, Zang, J.
登録日2015-02-11
公開日2015-10-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure of the JmjC domain-containing protein NO66 complexed with ribosomal protein Rpl8.
Acta Crystallogr.,Sect.D, 71, 2015
7WKU
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BU of 7wku by Molmil
Structure of PDCoV Mpro in complex with an inhibitor
分子名称: N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, Peptidase C30
著者Wang, F.H, Yang, H.T.
登録日2022-01-11
公開日2022-05-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Structure of the Porcine Deltacoronavirus Main Protease Reveals a Conserved Target for the Design of Antivirals.
Viruses, 14, 2022
7X5L
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BU of 7x5l by Molmil
Tir-dsDNA complex, the initial binding state
分子名称: DNA (5'-D(*AP*TP*AP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*TP*AP*AP*TP*TP*AP*A)-3'), Flax rust resistance protein
著者Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J.
登録日2022-03-04
公開日2022-06-01
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
7X5M
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BU of 7x5m by Molmil
Tir-dsDNA complex, the initial binding state
分子名称: 2',3'- cyclic AMP, DNA (5'-D(P*AP*TP*TP*AP*A)-3'), DNA (5'-D(P*AP*TP*TP*TP*A)-3'), ...
著者Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J.
登録日2022-03-05
公開日2022-06-01
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
7X5K
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BU of 7x5k by Molmil
Tir-dsDNA complex, the initial binding state
分子名称: DNA (43-MER), Flax rust resistance protein
著者Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J.
登録日2022-03-04
公開日2022-06-08
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
5TJE
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BU of 5tje by Molmil
Murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 and T cell receptor P14
分子名称: ALPHA CHAIN OF MURINE T CELL RECEPTOR p14, BETA CHAIN OF MURINE T CELL RECEPTOR p14, Beta-2-microglobulin, ...
著者Achour, A, Sandalova, T, Allerbring, E, Popov, A.
登録日2016-10-04
公開日2017-11-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Thernary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant
to be published
7ES4
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BU of 7es4 by Molmil
the crystral structure of DndH-C-domain
分子名称: DNA phosphorothioation-dependent restriction protein DptH
著者Wu, D.
登録日2021-05-08
公開日2022-05-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The functional coupling between restriction and DNA phosphorothioate modification systems underlying the DndFGH restriction complex
Nat Catal, 2022
6CDY
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BU of 6cdy by Molmil
Crystal structure of TEAD complexed with its inhibitor
分子名称: 2-[(4H-1,2,4-triazol-3-yl)sulfanyl]-N-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]phenyl}acetamide, Transcriptional enhancer factor TEF-4
著者LIU, S, HAN, X, LUO, X.
登録日2018-02-09
公開日2020-07-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Lats1/2 Sustain Intestinal Stem Cells and Wnt Activation through TEAD-Dependent and Independent Transcription.
Cell Stem Cell, 26, 2020
7EXX
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BU of 7exx by Molmil
The structure of DndG
分子名称: DNA phosphorothioation-dependent restriction protein DptG, SODIUM ION
著者Wu, D, Wang, L.
登録日2021-05-28
公開日2022-06-01
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The functional coupling between restriction and DNA phosphorothioate modification systems underlying the DndFGH restriction complex
Nat Catal, 2022
6ZY9
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BU of 6zy9 by Molmil
Cryo-EM structure of MlaFEDB in complex with AMP-PNP
分子名称: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, MAGNESIUM ION, ...
著者Dong, C.J, Dong, H.H.
登録日2020-07-30
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6VN2
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BU of 6vn2 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 18
分子名称: 1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1H-pyrrole-2,5-dione, ACETATE ION, Ubiquitin carboxyl-terminal hydrolase 7
著者Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
登録日2020-01-29
公開日2020-04-29
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
6ZY4
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BU of 6zy4 by Molmil
Cryo-EM structure of MlaFEDB in complex with ADP
分子名称: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ADENOSINE-5'-DIPHOSPHATE, ...
著者Dong, C.J, Dong, H.H.
登録日2020-07-30
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6ZY3
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BU of 6zy3 by Molmil
Cryo-EM structure of MlaFEDB in complex with phospholipid
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ...
著者Dong, C.J, Dong, H.H.
登録日2020-07-30
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6VN3
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BU of 6vn3 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 23
分子名称: 1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1H-pyrrole-2,5-dione, Ubiquitin carboxyl-terminal hydrolase 7
著者Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
登録日2020-01-29
公開日2020-04-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
6VN6
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BU of 6vn6 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 14
分子名称: Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION, [(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone
著者Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
登録日2020-01-29
公開日2020-04-29
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
6ZY2
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BU of 6zy2 by Molmil
Cryo-EM structure of apo MlaFEDB
分子名称: ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, Toluene tolerance protein Ttg2A, ...
著者Dong, C.J, Dong, H.H.
登録日2020-07-30
公開日2020-11-25
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB.
Nat.Struct.Mol.Biol., 28, 2021
6VN4
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BU of 6vn4 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 1
分子名称: 3-({4-hydroxy-1-[(2R)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7
著者Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
登録日2020-01-29
公開日2020-04-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020

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