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5DKP
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BU of 5dkp by Molmil
Crystal Structure of N. meningitidis ClpP in complex with agonist ADEP A54556.
分子名称: ATP-dependent Clp protease proteolytic subunit, POTASSIUM ION, SODIUM ION, ...
著者Goodreid, J.D, Janetzko, J, Santa Maria Jr, J.P, Wong, K, Leung, E, Eger, B.T, Bryson, S, Pai, E.F, Gray-Owen, S.D, Walker, S, Houry, W.A, Batey, R.A.
登録日2015-09-03
公開日2016-01-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.381 Å)
主引用文献Development and Characterization of Potent Cyclic Acyldepsipeptide Analogues with Increased Antimicrobial Activity.
J.Med.Chem., 59, 2016
6BBA
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BU of 6bba by Molmil
Crystal structure of human mitochondrial ClpP complex with acyldepsipeptide ADEP-28
分子名称: ATP-dependent Clp protease proteolytic subunit, mitochondrial, Acyldepsipeptide ADEP-28
著者Mabanglo, M.F, Houry, W.A.
登録日2017-10-17
公開日2018-07-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.796 Å)
主引用文献Acyldepsipeptide Analogs Dysregulate Human Mitochondrial ClpP Protease Activity and Cause Apoptotic Cell Death.
Cell Chem Biol, 25, 2018
6NB1
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BU of 6nb1 by Molmil
Crystal structure of Escherichia coli ClpP protease complexed with small molecule activator, ACP1-06
分子名称: ATP-dependent Clp protease proteolytic subunit, GLYCEROL, N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide
著者Mabanglo, M.F, Houry, W.A, Eger, B.T, Bryson, S, Pai, E.F.
登録日2018-12-06
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
Commun Biol, 2, 2019
6NAY
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BU of 6nay by Molmil
Crystal structure of Neisseria meningitidis ClpP protease E31A+E58A activated double mutant
分子名称: ATP-dependent Clp protease proteolytic subunit
著者Mabanglo, M.F, Houry, W.A.
登録日2018-12-06
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
Commun Biol, 2, 2019
6NAH
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BU of 6nah by Molmil
Crystal structure of Neisseria meningitidis ClpP protease in complex with Acyldepsipeptide-14 (ADEP-14)
分子名称: ATP-dependent Clp protease proteolytic subunit, Acyldepsipeptide-14, OCTANOIC ACID (CAPRYLIC ACID)
著者Mabanglo, M.F, Houry, W.A.
登録日2018-12-05
公開日2019-11-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
Commun Biol, 2, 2019
6NAW
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BU of 6naw by Molmil
Crystal structure of Neisseria meningitidis ClpP E58A activated mutant
分子名称: ATP-dependent Clp protease proteolytic subunit
著者Mabanglo, M.F, Houry, W.A.
登録日2018-12-06
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
Commun Biol, 2, 2019
6NAQ
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BU of 6naq by Molmil
Crystal structure of Neisseria meningitidis ClpP protease in Apo form
分子名称: ATP-dependent Clp protease proteolytic subunit, POTASSIUM ION
著者Houry, W.A, Mabanglo, M.F, Pai, E.F, Eger, B.T, Bryson, S.
登録日2018-12-06
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.022 Å)
主引用文献ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores.
Commun Biol, 2, 2019
6UUO
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BU of 6uuo by Molmil
Crystal structure of BRAF kinase domain bound to the PROTAC P4B
分子名称: N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf
著者Maisonneuve, P, Posternak, G, Kurinov, I, Sicheri, F.
登録日2019-10-30
公開日2020-06-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.288 Å)
主引用文献Functional characterization of a PROTAC directed against BRAF mutant V600E.
Nat.Chem.Biol., 16, 2020
6W9T
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BU of 6w9t by Molmil
Crystal structure of Neisseria meningitidis ClpP protease complex with small molecule activator ACP1-06
分子名称: ATP-dependent Clp protease proteolytic subunit, N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide, POTASSIUM ION
著者Mabanglo, M.F, Houry, W.A.
登録日2020-03-23
公開日2020-12-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Development of Antibiotics That Dysregulate the Neisserial ClpP Protease.
Acs Infect Dis., 6, 2020
7U3J
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BU of 7u3j by Molmil
GID4 in complex with compound 88
分子名称: (2S)-2-{[(2S)-2-({N-[(2,4-dimethoxyphenyl)methyl]glycyl}amino)-2-(thiophen-2-yl)acetyl]amino}-N-methyl-4-phenylbutanamide, GLYCEROL, Glucose-induced degradation protein 4 homolog
著者Chana, C.K, Sicheri, F.
登録日2022-02-27
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.642 Å)
主引用文献Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4.
J.Med.Chem., 65, 2022
7U3E
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BU of 7u3e by Molmil
GID4 in complex with compound 1
分子名称: Glucose-induced degradation protein 4 homolog, tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
著者Chana, C.K, Sicheri, F.
登録日2022-02-27
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4.
J.Med.Chem., 65, 2022
7U3K
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BU of 7u3k by Molmil
GID4 in complex with compound 89
分子名称: GLYCEROL, Glucose-induced degradation protein 4 homolog, N-butylglycyl-4-tert-butyl-D-phenylalanyl-3-methoxy-N-methyl-L-phenylalaninamide
著者Chana, C.K, Sicheri, F.
登録日2022-02-27
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4.
J.Med.Chem., 65, 2022
7U3F
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BU of 7u3f by Molmil
GID4 in complex with compound 4
分子名称: (4R)-4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine, GLYCEROL, Glucose-induced degradation protein 4 homolog
著者Chana, C.K, Sicheri, F.
登録日2022-02-27
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4.
J.Med.Chem., 65, 2022
7U3G
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BU of 7u3g by Molmil
GID4 in complex with compound 67
分子名称: (1R)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine, Glucose-induced degradation protein 4 homolog
著者Chana, C.K, Sicheri, F.
登録日2022-02-27
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.244 Å)
主引用文献Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4.
J.Med.Chem., 65, 2022
7U3L
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BU of 7u3l by Molmil
GID4 in complex with compound 91
分子名称: GLYCEROL, Glucose-induced degradation protein 4 homolog, Nalpha-{(2R,4E)-2-[(N-benzylglycyl)amino]-5-phenylpent-4-enoyl}-N,4-dimethyl-L-phenylalaninamide
著者Chana, C.K, Sicheri, F.
登録日2022-02-27
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4.
J.Med.Chem., 65, 2022
7U3H
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BU of 7u3h by Molmil
GID4 in complex with compound 7
分子名称: (5R)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine, Glucose-induced degradation protein 4 homolog
著者Chana, C.K, Sicheri, F.
登録日2022-02-27
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4.
J.Med.Chem., 65, 2022
7U3I
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BU of 7u3i by Molmil
GID4 in complex with compound 16
分子名称: 3-{[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenol, GLYCEROL, Glucose-induced degradation protein 4 homolog
著者Chana, C.K, Sicheri, F.
登録日2022-02-27
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4.
J.Med.Chem., 65, 2022

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件を2024-05-15に公開中

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