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7QMJ
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BU of 7qmj by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 11)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMG
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BU of 7qmg by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 8)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
5UGD
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BU of 5ugd by Molmil
Protease Inhibitor
分子名称: Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(pyridin-4-yl)methyl]-L-tyrosinamide, Plasminogen
著者Law, R.H.P, Wu, G, Whisstock, J.C.
登録日2017-01-08
公開日2017-05-31
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献X-ray crystal structure of plasmin with tranexamic acid-derived active site inhibitors.
Blood Adv, 1, 2017
8FP5
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BU of 8fp5 by Molmil
CDK2 liganded with ATP and Mg2+
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cyclin-dependent kinase 2, ...
著者Schonbrunn, E, Sun, L.
登録日2023-01-04
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
7QML
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BU of 7qml by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 13)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMI
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BU of 7qmi by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 10)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
4YLC
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BU of 4ylc by Molmil
Crystal Structure of Del-C4 mutant of hsp14.1 from Sulfolobus solfatataricus P2
分子名称: CHLORIDE ION, Heat shock protein Hsp20
著者Liu, L, Chen, J.Y, Yun, C.H.
登録日2015-03-05
公開日2015-11-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Active-State Structures of a Small Heat-Shock Protein Revealed a Molecular Switch for Chaperone Function
Structure, 23, 2015
7QMK
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BU of 7qmk by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 12)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMM
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BU of 7qmm by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 14)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMN
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BU of 7qmn by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 15)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
8G3Q
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BU of 8g3q by Molmil
N2 neuraminidase of A/Tanzania/205/2010 H3N2 in complex with 3 FNI17 Fab molecules
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FNI17 Fab heavy chain, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
6M9F
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BU of 6m9f by Molmil
PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR Tyrostatin
分子名称: CALCIUM ION, SEDOLISIN, SULFATE ION, ...
著者Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Goldfarb, N.E, Dunn, B.M, Oda, K.
登録日2018-08-23
公開日2018-10-24
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Inhibitor complexes of the Pseudomonas serine-carboxyl proteinase
Biochemistry, 40, 2001
7QMO
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BU of 7qmo by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 16)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMP
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BU of 7qmp by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 17)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMQ
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BU of 7qmq by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 18)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7QMR
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BU of 7qmr by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 1)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
8G3O
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BU of 8g3o by Molmil
N2 neuraminidase of A/Hong_Kong/2671/2019 in complex with 3 FNI9 Fab molecules
分子名称: 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, CALCIUM ION, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
6H1S
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BU of 6h1s by Molmil
Structure of the BM3 heme domain in complex with fluconazole
分子名称: 1,2-ETHANEDIOL, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
著者Jeffreys, L.N, Munro, A.W.M, Leys, D.
登録日2018-07-12
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs.
Sci Rep, 9, 2019
7QN4
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BU of 7qn4 by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 14)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
8G3R
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BU of 8g3r by Molmil
N2 neuraminidase of A/Tanzania/205/2010 H3N2 with S245N S247T mutations in complex with one FNI17 Fab molecule
分子名称: 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, CALCIUM ION, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
7QMT
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BU of 7qmt by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 3)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
5UHU
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BU of 5uhu by Molmil
Solution conformation of cytochrome P450 MycG with mycinamicin IV bound
分子名称: MYCINAMICIN IV, Mycinamicin IV hydroxylase/epoxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Pochapsky, T.C, Tietz, D.R.
登録日2017-01-12
公開日2017-08-23
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution Conformations and Dynamics of Substrate-Bound Cytochrome P450 MycG.
Biochemistry, 56, 2017
8DNK
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BU of 8dnk by Molmil
Crystal structure of human KRAS G12C covalently bound with Taiho WO2020/085493A1 compound 6
分子名称: 2-{[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl}-4-chloro-1-methyl-N-(1-propanoylazetidin-3-yl)-1H-imidazole-5-carboxamide, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Mohr, C.
登録日2022-07-11
公開日2022-08-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors.
J.Comput.Aided Mol.Des., 36, 2022
7QMS
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BU of 7qms by Molmil
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 2)
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Huang, C.Y, Aumonier, S, Wang, M.
登録日2021-12-20
公開日2022-08-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
5JFP
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BU of 5jfp by Molmil
HIV-1 wild Type protease with GRL-097-13A (a Adamantane P1-Ligand with bis-THF in P2 and isobutylamine in P1')
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate, CHLORIDE ION, Protease, ...
著者Wang, Y.-F, Agniswamy, J, Weber, I.T.
登録日2016-04-19
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Probing Lipophilic Adamantyl Group as the P1-Ligand for HIV-1 Protease Inhibitors: Design, Synthesis, Protein X-ray Structural Studies, and Biological Evaluation.
J.Med.Chem., 59, 2016

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件を2024-12-25に公開中

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