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6XOV
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BU of 6xov by Molmil
CryoEM structure of human presequence protease in partial closed state 1
分子名称: Amyloid-beta precursor protein, Presequence protease, mitochondrial
著者Liang, W.G, Zhao, M, Tang, W.
登録日2020-07-07
公開日2021-07-07
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for the mechanisms of human presequence protease conformational switch and substrate recognition.
Nat Commun, 13, 2022
6XOT
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CryoEM structure of human presequence protease in partial open state 2
分子名称: Presequence protease, mitochondrial
著者Liang, W.G, Zhao, M, Tang, W.
登録日2020-07-07
公開日2021-07-07
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis for the mechanisms of human presequence protease conformational switch and substrate recognition.
Nat Commun, 13, 2022
6XLY
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BU of 6xly by Molmil
CRYOEM STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS ZINC METALLOPROTEASE ZMP1 IN OPEN STATE
分子名称: Probable zinc metalloprotease Zmp1, ZINC ION
著者Liang, W.G, Zhao, M, Tang, W.
登録日2020-06-29
公開日2020-12-23
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural analysis of Mycobacterium tuberculosis M13 metalloprotease Zmp1 open states.
Structure, 29, 2021
5KQY
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BU of 5kqy by Molmil
Protease E35D-DRV
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease E35D-DRV
著者Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
登録日2016-07-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
5KR1
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Protease PR5-DRV
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease PR5-DRV
著者Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
登録日2016-07-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
5KR0
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BU of 5kr0 by Molmil
Protease E35D-APV
分子名称: GLYCEROL, Protease E35D-APV, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
登録日2016-07-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
5KQX
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BU of 5kqx by Molmil
Protease E35D-SQV
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease E35D-SQV
著者Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
登録日2016-07-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
5KR2
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BU of 5kr2 by Molmil
Protease PR5-SQV
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease PR5-SQV
著者Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
登録日2016-07-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
8D56
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BU of 8d56 by Molmil
One RBD-up state of SARS-CoV-2 BA.2 variant spike protein
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Tang, W.C, Gao, H.L, Shi, W, Peng, H.Q, Volloch, S.R, Xiao, T.S, Chen, B.
登録日2022-06-04
公開日2023-06-07
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural and functional characteristics of the SARS-CoV-2 Omicron subvariant BA.2 spike protein.
Nat.Struct.Mol.Biol., 30, 2023
8D55
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BU of 8d55 by Molmil
Closed state of SARS-CoV-2 BA.2 variant spike protein
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Tang, W.C, Gao, H.L, Shi, W, Peng, H.Q, Volloch, S.R, Xiao, T.S, Chen, B.
登録日2022-06-04
公開日2023-06-07
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural and functional characteristics of the SARS-CoV-2 Omicron subvariant BA.2 spike protein.
Nat.Struct.Mol.Biol., 30, 2023
8D5A
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BU of 8d5a by Molmil
Middle state of SARS-CoV-2 BA.2 variant spike protein
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Tang, W.C, Gao, H.L, Shi, W, Peng, H.Q, Volloch, S.R, Xiao, T.S, Chen, B.
登録日2022-06-04
公開日2023-06-07
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and functional characteristics of the SARS-CoV-2 Omicron subvariant BA.2 spike protein.
Nat.Struct.Mol.Biol., 30, 2023
7JVF
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BU of 7jvf by Molmil
Solution NMR structure of Prochlorosin 2.10 produced by Prochlorococcus MIT 9313
分子名称: Prochlorosin 2.10
著者Bobeica, S.C, van der Donk, W.A, Zhu, L.
登録日2020-08-21
公開日2020-09-09
最終更新日2024-07-10
実験手法SOLUTION NMR
主引用文献Structural determinants of macrocyclization in substrate-controlled lanthipeptide biosynthetic pathways.
Chem Sci, 11, 2020
1F03
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BU of 1f03 by Molmil
SOLUTION STRUCTURE OF OXIDIZED BOVINE MICROSOMAL CYTOCHROME B5 MUTANT (E44A, E48A, E56A, D60A) AND ITS INTERACTION WITH CYTOCHROME C
分子名称: CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE
著者Wu, Y.B, Lu, J, Qian, C.M, Tang, W.X, Li, E.C, Wang, J.F, Wang, Y.H, Wang, W.H, Lu, J.X, Xie, Y, Huang, Z.X.
登録日2000-05-14
公開日2000-06-21
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of cytochrome b(5) mutant (E44/48/56A/D60A) and its interaction with cytochrome c.
Eur.J.Biochem., 268, 2001
1F04
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BU of 1f04 by Molmil
SOLUTION STRUCTURE OF OXIDIZED BOVINE MICROSOMAL CYTOCHROME B5 MUTANT (E44A, E48A, E56A, D60A) AND ITS INTERACTION WITH CYTOCHROME C
分子名称: CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE
著者Wu, Y.B, Lu, J, Qian, C.M, Tang, W.X, Li, E.C, Wang, J.F, Wang, Y.H, Wang, W.H, Lu, J.X, Xie, Y, Huang, Z.X.
登録日2000-05-14
公開日2000-06-21
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of cytochrome b(5) mutant (E44/48/56A/D60A) and its interaction with cytochrome c.
Eur.J.Biochem., 268, 2001
6IMD
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BU of 6imd by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
著者Zhang, X, Su, H, Xu, Y.
登録日2018-10-22
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IND
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BU of 6ind by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: (1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-24
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.872 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMO
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BU of 6imo by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: (1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-23
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IM6
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BU of 6im6 by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-22
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMT
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BU of 6imt by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-23
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.483 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6INM
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BU of 6inm by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-26
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMB
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BU of 6imb by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
著者Zhang, X, Su, H, Xu, Y.
登録日2018-10-22
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMI
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BU of 6imi by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
著者Zhang, X, Su, H, Xu, Y.
登録日2018-10-23
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMR
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BU of 6imr by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: (1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-23
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6INK
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BU of 6ink by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-25
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
8JPP
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BU of 8jpp by Molmil
Cryo-EM structure of succinate receptor bound to succinate acid coupling MiniGsq
分子名称: 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Wang, T.X, Tang, W.Q, Li, F.H, Wang, J.Y.
登録日2023-06-12
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular activation and G protein coupling selectivity of human succinate receptor SUCR1.
Cell Res., 2024

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