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6VLB
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BU of 6vlb by Molmil
Crystal structure of ligand-free UDP-GlcNAc 2-epimerase from Neisseria meningitidis
Descriptor: 1,2-ETHANEDIOL, SODIUM ION, UDP-N-acetylglucosamine 2-epimerase
Authors:Fisher, A.J, Hurlburt, N.K.
Deposit date:2020-01-23
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural characterization of a nonhydrolyzing UDP-GlcNAc 2-epimerase from Neisseria meningitidis serogroup A.
Acta Crystallogr.,Sect.F, 76, 2020
6VLC
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BU of 6vlc by Molmil
Crystal structure of UDP-GlcNAc 2-epimerase from Neisseria meningitidis bound to UDP-GlcNAc
Descriptor: UDP-N-acetylglucosamine 2-epimerase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:Fisher, A.J, Hurlburt, N.K.
Deposit date:2020-01-23
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural characterization of a nonhydrolyzing UDP-GlcNAc 2-epimerase from Neisseria meningitidis serogroup A.
Acta Crystallogr.,Sect.F, 76, 2020
2PE0
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BU of 2pe0 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 5-Hydroxy-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-1,3-dihydro-indol-2-one COMPLEX
Descriptor: 3-phosphoinositide-dependent protein kinase 1, 5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE, GLYCEROL, ...
Authors:Whitlow, M, Adler, M.
Deposit date:2007-04-01
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007
2PE1
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BU of 2pe1 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) {2-Oxo-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-2,3-dihydro-1H-indol-5-yl}-urea {BX-517} COMPLEX
Descriptor: 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
Authors:Whitlow, M, Adler, M.
Deposit date:2007-04-01
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007
6PXV
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BU of 6pxv by Molmil
Cryo-EM structure of full-length insulin receptor bound to 4 insulin. 3D refinement was focused on the extracellular region.
Descriptor: Insulin, Insulin receptor
Authors:Uchikawa, E, Choi, E, Shang, G.J, Yu, H.T, Bai, X.C.
Deposit date:2019-07-27
Release date:2019-09-04
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Activation mechanism of the insulin receptor revealed by cryo-EM structure of the fully liganded receptor-ligand complex.
Elife, 8, 2019
6PYH
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BU of 6pyh by Molmil
Cryo-EM structure of full-length IGF1R-IGF1 complex. Only the extracellular region of the complex is resolved.
Descriptor: Insulin-like growth factor 1 receptor, Insulin-like growth factor I
Authors:Li, J, Choi, E, Yu, H.T, Bai, X.C.
Deposit date:2019-07-29
Release date:2019-10-23
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural basis of the activation of type 1 insulin-like growth factor receptor.
Nat Commun, 10, 2019
6PXW
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BU of 6pxw by Molmil
Cryo-EM structure of full-length insulin receptor bound to 4 insulin. 3D refinement was focused on the top part of the receptor complex.
Descriptor: Insulin, Insulin receptor
Authors:Uchikawa, E, Choi, E, Shang, G.J, Yu, H.T, Bai, X.C.
Deposit date:2019-07-28
Release date:2019-09-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Activation mechanism of the insulin receptor revealed by cryo-EM structure of the fully liganded receptor-ligand complex.
Elife, 8, 2019
1QWE
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BU of 1qwe by Molmil
C-SRC SH3 DOMAIN COMPLEXED WITH LIGAND APP12
Descriptor: ALA-PRO-PRO-LEU-PRO-PRO-ARG-ASN-ARG-PRO-ARG-LEU, TYROSINE-PROTEIN KINASE TRANSFORMING PROTEIN SRC
Authors:Feng, S, Chiyoshi, K, Rickles, R.J, Schreiber, S.L.
Deposit date:1995-11-09
Release date:1996-03-08
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Specific interactions outside the proline-rich core of two classes of Src homology 3 ligands.
Proc.Natl.Acad.Sci.USA, 92, 1995
1QWF
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BU of 1qwf by Molmil
C-SRC SH3 DOMAIN COMPLEXED WITH LIGAND VSL12
Descriptor: TYROSINE-PROTEIN KINASE TRANSFORMING PROTEIN SRC, VAL-SER-LEU-ALA-ARG-ARG-PRO-LEU-PRO-PRO-LEU-PRO
Authors:Feng, S, Chiyoshi, K, Rickles, R.J, Schreiber, S.L.
Deposit date:1995-11-09
Release date:1996-03-08
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Specific interactions outside the proline-rich core of two classes of Src homology 3 ligands.
Proc.Natl.Acad.Sci.USA, 92, 1995
1NLP
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BU of 1nlp by Molmil
STRUCTURE OF SIGNAL TRANSDUCTION PROTEIN, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: C-SRC, NL2 (MN8-MN1-PLPPLP)
Authors:Feng, S, Kapoor, T.M, Shirai, F, Combs, A.P, Schreiber, S.L.
Deposit date:1996-08-04
Release date:1997-01-27
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Molecular basis for the binding of SH3 ligands with non-peptide elements identified by combinatorial synthesis.
Chem.Biol., 3, 1996
1NLO
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BU of 1nlo by Molmil
STRUCTURE OF SIGNAL TRANSDUCTION PROTEIN, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: C-SRC, NL1 (MN7-MN2-MN1-PLPPLP)
Authors:Feng, S, Kapoor, T.M, Shirai, F, Combs, A.P, Schreiber, S.L.
Deposit date:1996-08-04
Release date:1997-01-27
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Molecular basis for the binding of SH3 ligands with non-peptide elements identified by combinatorial synthesis.
Chem.Biol., 3, 1996
6P6G
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BU of 6p6g by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
Authors:Elkins, P.A, Wang, L.
Deposit date:2019-06-03
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6P6K
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BU of 6p6k by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
Authors:Elkins, P.A, Wang, L.
Deposit date:2019-06-04
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
7L6N
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BU of 7l6n by Molmil
The Mycobacterium tuberculosis ClpB disaggregase hexamer structure with three locally refined ClpB middle domains and three DnaK nucleotide binding domains
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, Chaperone protein DnaK, ...
Authors:Yin, Y.Y, Feng, X, Li, H.
Deposit date:2020-12-23
Release date:2021-05-26
Last modified:2021-12-08
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Structural basis for aggregate dissolution and refolding by the Mycobacterium tuberculosis ClpB-DnaK bi-chaperone system.
Cell Rep, 35, 2021
6P7Z
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BU of 6p7z by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: 5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
Authors:Elkins, P.A, Bonnette, W.G.
Deposit date:2019-06-06
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6PAF
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BU of 6paf by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: GLYCEROL, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
Authors:Elkins, P.A, Wang, L.
Deposit date:2019-06-11
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.241 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
7MPI
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BU of 7mpi by Molmil
Stm1 bound vacant 80S structure isolated from cbf5-D95A
Descriptor: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
Authors:Rai, J, Zhao, Y, Li, H.
Deposit date:2021-05-04
Release date:2022-05-11
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:CryoEM structures of pseudouridine-free ribosome suggest impacts of chemical modifications on ribosome conformations.
Structure, 30, 2022
7N8B
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BU of 7n8b by Molmil
Cycloheximide bound vacant 80S structure isolated from cbf5-D95A
Descriptor: 18S RIBOSOMAL RNA, 25S, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ...
Authors:Rai, J, Zhao, Y, Li, H.
Deposit date:2021-06-14
Release date:2022-05-11
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:CryoEM structures of pseudouridine-free ribosome suggest impacts of chemical modifications on ribosome conformations.
Structure, 30, 2022
7LM2
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BU of 7lm2 by Molmil
HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 3C
Descriptor: 1,2-ETHANEDIOL, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ...
Authors:Lesburg, C.A, Augustin, M.
Deposit date:2021-02-05
Release date:2021-04-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Projected Dose Optimization of Amino- and Hydroxypyrrolidine Purine PI3K delta Immunomodulators.
J.Med.Chem., 64, 2021
8IL3
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BU of 8il3 by Molmil
Cryo-EM structure of CD38 in complex with FTL004
Descriptor: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Heavy chain, Light chain
Authors:Yang, J, Wang, Y, Zhang, G.
Deposit date:2023-03-01
Release date:2023-03-29
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:FTL004, an anti-CD38 mAb with negligible RBC binding and enhanced pro-apoptotic activity, is a novel candidate for treatments of multiple myeloma and non-Hodgkin lymphoma.
J Hematol Oncol, 15, 2022
4MJ5
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BU of 4mj5 by Molmil
Crystal Structure of HLA-A*1101 in complex with H1-22, an influenza A(H1N1) virus epitope
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-11 alpha chain, ...
Authors:Liu, J, Tan, S, Zhao, M, Qi, J, Gao, G.F.
Deposit date:2013-09-03
Release date:2014-10-08
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Cross-immunity Against Avian Influenza A(H7N9) Virus in the Healthy Population Is Affected by Antigenicity-Dependent Substitutions.
J.Infect.Dis., 214, 2016
4MJ6
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BU of 4mj6 by Molmil
Crystal Structure of HLA-A*1101 in complex with H7-22, an influenza A(H7N9) virus epitope
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-11 alpha chain, ...
Authors:Liu, J, Tan, S, Zhao, M, Qi, J, Gao, G.F.
Deposit date:2013-09-03
Release date:2014-10-08
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Cross-immunity Against Avian Influenza A(H7N9) Virus in the Healthy Population Is Affected by Antigenicity-Dependent Substitutions.
J.Infect.Dis., 214, 2016
7DZF
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BU of 7dzf by Molmil
Intermediate of FABP with a delay time of 10 ns
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZL
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BU of 7dzl by Molmil
A69C-M71L mutant of Fabp protein
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZJ
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BU of 7dzj by Molmil
Fabp protein before hv
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
Deposit date:2021-01-25
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022

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