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7MB7
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BU of 7mb7 by Molmil
SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp7/8 (P6-P1)
Descriptor: 3C-like proteinase, ASN-ARG-ALA-THR-LEU-GLN
Authors:Lockbaum, G.J, Schiffer, C.A.
Deposit date:2021-03-31
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
1BZ4
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BU of 1bz4 by Molmil
APOLIPOPROTEIN E3 (APO-E3), TRUNCATION MUTANT 165
Descriptor: PROTEIN (APOLIPOPROTEIN E)
Authors:Rupp, B, Segelke, B.
Deposit date:1998-11-05
Release date:1998-11-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conformational flexibility in the apolipoprotein E amino-terminal domain structure determined from three new crystal forms: implications for lipid binding.
Protein Sci., 9, 2000
6SJ7
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BU of 6sj7 by Molmil
Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to RBM39 and Indisulam
Descriptor: DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1, ...
Authors:Srinivas, H.
Deposit date:2019-08-12
Release date:2019-12-18
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex.
Nat.Chem.Biol., 16, 2020
1C9N
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BU of 1c9n by Molmil
BACILLUS LENTUS SUBSTILISIN VARIANT (SER 87) K27R/V104Y/N123S/T274A
Descriptor: CALCIUM ION, SERINE PROTEASE, SULFATE ION
Authors:Bott, R.
Deposit date:1999-08-02
Release date:1999-10-06
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Engineered Bacillus lentus subtilisins having altered flexibility.
J.Mol.Biol., 292, 1999
1C9J
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BU of 1c9j by Molmil
BACILLUS LENTUS SUBTILISIN K27R/N87S/V104Y/N123S/T274A VARIANT
Descriptor: CALCIUM ION, SERINE PROTEASE, SULFATE ION
Authors:Bott, R.
Deposit date:1999-08-02
Release date:1999-10-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Engineered Bacillus lentus subtilisins having altered flexibility.
J.Mol.Biol., 292, 1999
5IS5
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BU of 5is5 by Molmil
Discovery and Pharmacological Characterization of Novel Quinazoline-based PI3K delta-selective Inhibitors
Descriptor: 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Gutmann, S, Rummel, G, Shrestha, B.
Deposit date:2016-03-15
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors.
Acs Med.Chem.Lett., 7, 2016
1C9M
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BU of 1c9m by Molmil
BACILLUS LENTUS SUBTILSIN (SER 87) N76D/S103A/V104I
Descriptor: CALCIUM ION, SERINE PROTEASE, SULFATE ION
Authors:Bott, R.
Deposit date:1999-08-02
Release date:1999-10-06
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Engineered Bacillus lentus subtilisins having altered flexibility.
J.Mol.Biol., 292, 1999
3FLN
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BU of 3fln by Molmil
P38 kinase crystal structure in complex with R1487
Descriptor: 6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Knapp, M.
Deposit date:2008-12-19
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3FLQ
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BU of 3flq by Molmil
P38 kinase crystal structure in complex with 6-(2,4-difluoro-phenoxy)-2-((s)-2-methanesulfonyl-1-methyl-ethylamino)-8-methyl-8h-pyrido[2,3-d]pyrimidin
Descriptor: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Knapp, M.
Deposit date:2008-12-19
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
3FI4
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BU of 3fi4 by Molmil
P38 kinase crystal structure in complex with RO4499
Descriptor: (2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Knapp, M, Dunten, P.
Deposit date:2008-12-10
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
3FKO
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BU of 3fko by Molmil
P38 kinase crystal structure in complex with RO3668
Descriptor: 3-(2-chlorophenyl)-6-(2-fluorophenoxy)-2H-indazole, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Knapp, M.
Deposit date:2008-12-17
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
3FL4
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BU of 3fl4 by Molmil
P38 kinase crystal structure in complex with RO5634
Descriptor: 6-(2,4-difluorophenoxy)-3-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Knapp, M.
Deposit date:2008-12-18
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
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