Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
3RVG
DownloadVisualize
BU of 3rvg by Molmil
Crystals structure of Jak2 with a 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitor
Descriptor: 1-(cyclohexylamino)-7-(1-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide, Tyrosine-protein kinase JAK2
Authors:Lim, J, Taoka, B, Otte, R.D, Spencer, K, Dinsmore, C.J, Altman, M.D, Chan, G, Rosenstein, C, Sharma, S, Su, H.P, Szewczak, A.A, Xu, L, Yin, H, Zugay-Murphy, J, Marshall, C.G, Young, J.R.
Deposit date:2011-05-06
Release date:2012-03-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Discovery of 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitors of Janus kinase 2 (JAK2) for the treatment of myeloproliferative disorders.
J.Med.Chem., 54, 2011
2L9F
DownloadVisualize
BU of 2l9f by Molmil
NMR solution structure of meACP
Descriptor: CalE8
Authors:Lim, J, Yang, D, Liang, Z.X, Kong, R, Murugan, E, Ho, C.L.
Deposit date:2011-02-08
Release date:2011-06-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structures of the acyl carrier protein domain from the highly reducing type I iterative polyketide synthase CalE8
Plos One, 6, 2011
2LUT
DownloadVisualize
BU of 2lut by Molmil
NMR solution structure of midkine-a
Descriptor: Midkine-related growth factor
Authors:Lim, J, Yang, D, Meng, D.
Deposit date:2012-06-21
Release date:2013-05-01
Method:SOLUTION NMR
Cite:Structural and Functional Characterization of Two Zebrafish Midkine Proteins Reveals Importance of the Conserved Hinge for Heparin Binding and Embryogenesis
To be Published
5KE0
DownloadVisualize
BU of 5ke0 by Molmil
Discovery of 1-1H-Pyrazolo 4,3-c pyridine-6-yl urea Inhibitors of Extracellular Signal Regulated Kinase ERK for the Treatment of Cancers
Descriptor: 1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Hruza, A, Lim, J.
Deposit date:2016-06-09
Release date:2016-07-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Discovery of 1-(1H-Pyrazolo[4,3-c]pyridin-6-yl)urea Inhibitors of Extracellular Signal-Regulated Kinase (ERK) for the Treatment of Cancers.
J.Med.Chem., 59, 2016
2LUU
DownloadVisualize
BU of 2luu by Molmil
NMR solution structure of midkine-b, mdkb
Descriptor: Midkine-related growth factor Mdk2
Authors:Yang, D, Lim, J, Meng, D.
Deposit date:2012-06-21
Release date:2013-05-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-function analysis of full-length midkine reveals novel residues important for heparin binding and zebrafish embryogenesis.
Biochem.J., 451, 2013
2M6M
DownloadVisualize
BU of 2m6m by Molmil
Solution structure of RING domain of E3 ubiquitin ligase Doa10
Descriptor: ERAD-associated E3 ubiquitin-protein ligase DOA10, ZINC ION
Authors:Lim, J, Son, W.
Deposit date:2013-04-06
Release date:2014-05-07
Method:SOLUTION NMR
Cite:Solution structure of RING domain of E3 ubiquitin ligase Doa10
To be Published
7RSP
DownloadVisualize
BU of 7rsp by Molmil
Structure of the VPS34 kinase domain with compound 14
Descriptor: (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3
Authors:Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
Deposit date:2021-08-11
Release date:2021-11-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
7RSV
DownloadVisualize
BU of 7rsv by Molmil
Structure of the VPS34 kinase domain with compound 5
Descriptor: (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ...
Authors:Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
Deposit date:2021-08-11
Release date:2021-11-24
Last modified:2022-09-14
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
7RSJ
DownloadVisualize
BU of 7rsj by Molmil
Structure of the VPS34 kinase domain with compound 14
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ...
Authors:Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
Deposit date:2021-08-11
Release date:2021-11-24
Last modified:2022-09-14
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
2QJ6
DownloadVisualize
BU of 2qj6 by Molmil
Crystal structure analysis of a 14 repeat C-terminal fragment of toxin TcdA in Clostridium difficile
Descriptor: Toxin A
Authors:Albesa-Jove, D, Bertrand, T, Carpenter, L, Lim, J, Brown, K.A, Fairweather, N.
Deposit date:2007-07-06
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Solution and crystal structures of the cell binding domain of toxins TcdA and TcdB from Clostridium difficile
To be Published
4Y73
DownloadVisualize
BU of 4y73 by Molmil
Crystal structure of IRAK4 kinase domain with inhibitor
Descriptor: 5-{[(1R,2S)-2-aminocyclohexyl]amino}-N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Interleukin-1 receptor-associated kinase 4
Authors:Lesburg, C.A.
Deposit date:2015-02-13
Release date:2015-05-20
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Discovery of 5-Amino-N-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Inhibitors of IRAK4.
Acs Med.Chem.Lett., 6, 2015
8UQV
DownloadVisualize
BU of 8uqv by Molmil
Trehalose Synthase (TreS) of Mycobacterium tuberculosis in complex with 6-TreAz compound
Descriptor: 6-azido-6-deoxy-alpha-D-glucopyranose, CALCIUM ION, Trehalose synthase/amylase TreS, ...
Authors:Pathirage, R, Ronning, D.R.
Deposit date:2023-10-24
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Targeting Mycobacterium tuberculosis persistence through inhibition of the trehalose catalytic shift
To Be Published
8UZH
DownloadVisualize
BU of 8uzh by Molmil
SUMO fused Trehalose Synthase (TreS) of Mycobacterium tuberculosis
Descriptor: CALCIUM ION, SUMO fused Trehalose Synthase (TreS),Trehalose synthase/amylase TreS
Authors:Pathirage, R, Ronning, D.R.
Deposit date:2023-11-15
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Targeting Mycobacterium tuberculosis Persistence through Inhibition of the Trehalose Catalytic Shift.
Acs Infect Dis., 2024
5T1T
DownloadVisualize
BU of 5t1t by Molmil
Irak4 kinase - compound 1 co-structure
Descriptor: Interleukin-1 receptor-associated kinase 4, ~{N},~{N}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine
Authors:Fischmann, T.O.
Deposit date:2016-08-22
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation.
Bioorg. Med. Chem. Lett., 27, 2017
5T1S
DownloadVisualize
BU of 5t1s by Molmil
Irak4 kinase - compound 1 co-structure
Descriptor: 5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol, Interleukin-1 receptor-associated kinase 4
Authors:Fischmann, T.O.
Deposit date:2016-08-22
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation.
Bioorg. Med. Chem. Lett., 27, 2017
7KIB
DownloadVisualize
BU of 7kib by Molmil
PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 4
Descriptor: (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Palte, R.L, Hayes, R.P.
Deposit date:2020-10-23
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
7KID
DownloadVisualize
BU of 7kid by Molmil
PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 72
Descriptor: (1S,2R,3aR,4S,6aR)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1H)-diol, 1,2-ETHANEDIOL, Methylosome protein 50, ...
Authors:Palte, R.L.
Deposit date:2020-10-23
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
7KIC
DownloadVisualize
BU of 7kic by Molmil
PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 34
Descriptor: (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, Methylosome protein 50, ...
Authors:Palte, R.L.
Deposit date:2020-10-23
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
4WYS
DownloadVisualize
BU of 4wys by Molmil
Crystal structure of thiolase from Escherichia coli
Descriptor: Acetyl-CoA acetyltransferase
Authors:Kim, S, Ha, S.C, Ahn, J.W, Kim, E.J, Lim, J.H, Kim, K.J.
Deposit date:2014-11-18
Release date:2015-10-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Redox-switch regulatory mechanism of thiolase from Clostridium acetobutylicum
Nat Commun, 6, 2015
4WYR
DownloadVisualize
BU of 4wyr by Molmil
Crystal structure of thiolase mutation (V77Q,N153Y,A286K) from Clostridium acetobutylicum
Descriptor: Acetyl-CoA acetyltransferase, DI(HYDROXYETHYL)ETHER, GLYCEROL
Authors:Kim, S, Ha, S.C, Ahn, J.W, Kim, E.J, Lim, J.H, Kim, K.J.
Deposit date:2014-11-18
Release date:2015-10-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Redox-switch regulatory mechanism of thiolase from Clostridium acetobutylicum
Nat Commun, 6, 2015
4XL4
DownloadVisualize
BU of 4xl4 by Molmil
Crystal structure of thiolase from Clostridium acetobutylicum in complex with CoA
Descriptor: Acetyl-CoA acetyltransferase, COENZYME A, GLYCEROL
Authors:Kim, S, Ha, S.C, Ahn, J.W, Kim, E.J, Lim, J.H, Kim, K.J.
Deposit date:2015-01-13
Release date:2015-10-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Redox-switch regulatory mechanism of thiolase from Clostridium acetobutylicum
Nat Commun, 6, 2015
4XL2
DownloadVisualize
BU of 4xl2 by Molmil
Crystal structure of oxidized form of thiolase from Clostridium acetobutylicum
Descriptor: ACETATE ION, Acetyl-CoA acetyltransferase, DI(HYDROXYETHYL)ETHER, ...
Authors:Kim, S, Ha, S.C, Ahn, J.W, Kim, E.J, Lim, J.H, Kim, K.J.
Deposit date:2015-01-13
Release date:2015-10-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Redox-switch regulatory mechanism of thiolase from Clostridium acetobutylicum
Nat Commun, 6, 2015
4XL3
DownloadVisualize
BU of 4xl3 by Molmil
Crystal structure of reduced form of thiolase from Clostridium acetobutylicum
Descriptor: Acetyl-CoA acetyltransferase, GLYCEROL
Authors:Kim, S, Ha, S.C, Ahn, J.W, Kim, E.J, Lim, J.H, Kim, K.J.
Deposit date:2015-01-13
Release date:2015-10-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Redox-switch regulatory mechanism of thiolase from Clostridium acetobutylicum
Nat Commun, 6, 2015
1OZ1
DownloadVisualize
BU of 1oz1 by Molmil
P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR
Descriptor: 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL, Mitogen-activated protein kinase 14
Authors:Lovejoy, B, Villasenor, A, Browner, M, Dunten, P.
Deposit date:2003-04-07
Release date:2003-09-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase.
J.Med.Chem., 46, 2003
3BWO
DownloadVisualize
BU of 3bwo by Molmil
L-tryptophan aminotransferase
Descriptor: L-tryptophan aminotransferase
Authors:Ferrer, J.-L, Noel, J.P, Pojer, F, Bowman, M, Chory, J, Tao, Y.
Deposit date:2008-01-10
Release date:2009-03-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Rapid synthesis of auxin via a new tryptophan-dependent pathway is required for the shade avoidance response of plants
To be Published

 

12>

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon