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6QSO
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BU of 6qso by Molmil
mTFP* closed conformation: I197E-Y200H-Y204H mutant for enhanced metal binding
Descriptor: GFP-like fluorescent chromoprotein cFP484
Authors:Fischer, J, Renn, D, Arold, T.A, Groll, M.
Deposit date:2019-02-21
Release date:2020-01-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Robust and Versatile Host Protein for the Design and Evaluation of Artificial Metal Centers
Acs Catalysis, 2019
6QSL
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BU of 6qsl by Molmil
mTFP* closed conformation: I197C-Y200H-Y204H mutant for enhanced metal binding
Descriptor: GFP-like fluorescent chromoprotein cFP484
Authors:Fischer, J, Renn, D, Arold, T.A, Groll, M.
Deposit date:2019-02-21
Release date:2020-01-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Robust and Versatile Host Protein for the Design and Evaluation of Artificial Metal Centers
Acs Catalysis, 2019
6QSM
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BU of 6qsm by Molmil
mTFP* open conformation: I197C-Y200H-Y204H mutant for enhanced metal binding
Descriptor: GFP-like fluorescent chromoprotein cFP484
Authors:Fischer, J, Renn, D, Arold, T.A, Groll, M.
Deposit date:2019-02-21
Release date:2020-01-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A Robust and Versatile Host Protein for the Design and Evaluation of Artificial Metal Centers
Acs Catalysis, 2019
6SC4
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BU of 6sc4 by Molmil
Gamma-Carbonic Anhydrase from the Haloarchaeon Halobacterium sp.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CADMIUM ION, ...
Authors:Vogler, M, Karan, R, Renn, D, Vancea, A, Vielberg, V.-T, Groetzinger, S.W, DasSarma, P, Das Sarma, S, Eppinger, J, Groll, M, Rueping, M.
Deposit date:2019-07-23
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure and Active Site Engineering of a Halophilic gamma-Carbonic Anhydrase.
Front Microbiol, 11, 2020
5VB3
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BU of 5vb3 by Molmil
X-ray structure of nuclear receptor ROR-gammat Ligand Binding Domain + SRC2 peptide
Descriptor: Nuclear receptor ROR-gamma, SRC2 chimera, SODIUM ION
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5VB7
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BU of 5vb7 by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an agonist and SRC2 peptide
Descriptor: N-methyl-N'-(3-methylbut-2-en-1-yl)-N'-(3-phenoxyphenyl)-N-[trans-4-(pyridin-4-yl)cyclohexyl]urea, Nuclear receptor ROR-gamma, SRC2 chimera, ...
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.335 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5VB5
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BU of 5vb5 by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide
Descriptor: N-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide, Nuclear receptor ROR-gamma, SRC2 chimera, ...
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.226 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5VB6
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BU of 5vb6 by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide
Descriptor: N-{3-[(3-methylbut-2-en-1-yl){methyl[trans-4-(pyridin-4-yl)cyclohexyl]carbamoyl}amino]phenyl}benzamide, Nuclear receptor ROR-gamma, SRC2 chimera, ...
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.041 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
3I81
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BU of 3i81 by Molmil
Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with BMS-754807 [1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-N-(6-fluoro-3-pyridinyl)-2-methyl-L-prolinamide]
Descriptor: 1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-proli namide, Insulin-like growth factor 1 receptor
Authors:Sack, J.S.
Deposit date:2009-07-09
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development.
J.Med.Chem., 52, 2009
7UOQ
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BU of 7uoq by Molmil
CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH (2S)-2-(TERT-BUTOXY)-2-(5-{2-[(2-CHLORO-6-M ETHYLPHENYL)METHYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL}-4- (4,4-DIMETHYLPIPERIDIN-1-YL)-2-METHYLPYRIDIN-3-YL)ACETIC ACID
Descriptor: (2S)-tert-butoxy[(5M)-5-{2-[(2-chloro-6-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid, Integrase, SULFATE ION
Authors:Lewis, H.A, Muckelbauer, J.K.
Deposit date:2022-04-13
Release date:2022-07-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8867 Å)
Cite:Discovery and Preclinical Profiling of GSK3839919, a Potent HIV-1 Allosteric Integrase Inhibitor.
Acs Med.Chem.Lett., 13, 2022

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