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4XSK
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BU of 4xsk by Molmil
Structure of PAItrap, an uPA mutant
Descriptor: GLYCEROL, SULFATE ION, TRIETHYLENE GLYCOL, ...
Authors:Gong, L, Proulle, V, Hong, Z, Lin, Z, Liu, M, Yuan, C, Lin, L, Furie, B, Flaumenhaft, R, Andreasen, P, Furie, B, Huang, M.
Deposit date:2015-01-22
Release date:2016-02-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of PAItrap, an uPA mutant
To Be Published
7TD5
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BU of 7td5 by Molmil
Structure of human PRC2-EZH1 containing phosphorylated SUZ12
Descriptor: Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, Polycomb protein SUZ12, ...
Authors:Gong, L, Jiao, L, Liu, X.
Deposit date:2021-12-30
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.994 Å)
Cite:CK2-mediated phosphorylation of SUZ12 promotes PRC2 function by stabilizing enzyme active site.
Nat Commun, 13, 2022
5BRR
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BU of 5brr by Molmil
Michaelis complex of tPA-S195A:PAI-1
Descriptor: GLYCEROL, Plasminogen activator inhibitor 1, TRIETHYLENE GLYCOL, ...
Authors:Gong, L.
Deposit date:2015-06-01
Release date:2015-09-02
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Crystal Structure of the Michaelis Complex between Tissue-type Plasminogen Activator and Plasminogen Activators Inhibitor-1
J.Biol.Chem., 290, 2015
6W0B
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BU of 6w0b by Molmil
Open-gate KcsA soaked in 2 mM BaCl2
Descriptor: BARIUM ION, Fab Heavy Chain, Fab Light Chain, ...
Authors:Rohaim, A, Gong, L, Li, J.
Deposit date:2020-02-29
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.604 Å)
Cite:Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
6W0H
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BU of 6w0h by Molmil
Closed-gate KcsA soaked in 5mM KCl/5mM BaCl2
Descriptor: Fab Heavy Chain, Fab Light Chain, POTASSIUM ION, ...
Authors:Rohaim, A, Gong, L, Li, J.
Deposit date:2020-02-29
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
6W0G
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BU of 6w0g by Molmil
Closed-gate KcsA soaked in 1mM KCl/5mM BaCl2
Descriptor: Fab Heavy Chain, Fab Light Chain, POTASSIUM ION, ...
Authors:Rohaim, A, Gong, L, Li, J.
Deposit date:2020-02-29
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
6W0C
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BU of 6w0c by Molmil
Open-gate KcsA soaked in 4 mM BaCl2
Descriptor: BARIUM ION, Fab Heavy Chain, Fab Light Chain, ...
Authors:Rohaim, A, Gong, L, Li, J.
Deposit date:2020-02-29
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.556 Å)
Cite:Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
6W0D
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BU of 6w0d by Molmil
Open-gate KcsA soaked in 5 mM BaCl2
Descriptor: BARIUM ION, Fab Heavy Chain, Fab Light Chain, ...
Authors:Rohaim, A, Gong, L, Li, J.
Deposit date:2020-02-29
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.639 Å)
Cite:Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
6W0J
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BU of 6w0j by Molmil
Closed-gate KcsA incubated in BaCl2/NaCl
Descriptor: BARIUM ION, Fab Heavy Chain, Fab Light Chain, ...
Authors:Rohaim, A, Gong, L, Li, J.
Deposit date:2020-02-29
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
6W0A
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BU of 6w0a by Molmil
Open-gate KcsA soaked in 1 mM BaCl2
Descriptor: BARIUM ION, Fab Heavy Chain, Fab Light Chain, ...
Authors:Rohaim, A, Gong, L, Li, J.
Deposit date:2020-02-29
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.237 Å)
Cite:Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
6W0I
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BU of 6w0i by Molmil
Closed-gate KcsA soaked in 10mM KCl/5mM BaCl2
Descriptor: Fab Heavy Chain, Fab Light Chain, POTASSIUM ION, ...
Authors:Rohaim, A, Gong, L, Li, J.
Deposit date:2020-02-29
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.328 Å)
Cite:Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
6W0E
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BU of 6w0e by Molmil
Open-gate KcsA soaked in 10 mM BaCl2
Descriptor: BARIUM ION, Fab Heavy Chain, Fab Light Chain, ...
Authors:Rohaim, A, Gong, L, Li, J.
Deposit date:2020-02-29
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.512 Å)
Cite:Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
6W0F
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BU of 6w0f by Molmil
Closed-gate KcsA soaked in 0mM KCl/5mM BaCl2
Descriptor: Fab Heavy Chain, Fab Light Chain, POTASSIUM ION, ...
Authors:Rohaim, A, Gong, L, Li, J.
Deposit date:2020-02-29
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020
1R0E
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BU of 1r0e by Molmil
Glycogen synthase kinase-3 beta in complex with 3-indolyl-4-arylmaleimide inhibitor
Descriptor: 3-[3-(2,3-DIHYDROXY-PROPYLAMINO)-PHENYL]-4-(5-FLUORO-1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE, CITRATE ANION, Glycogen synthase kinase-3 beta
Authors:Allard, J, Nikolcheva, T, Gong, L, Wang, J, Dunten, P, Avnur, Z, Waters, R, Sun, Q, Skinner, B.
Deposit date:2003-09-20
Release date:2004-10-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:From genetics to therapeutics: the Wnt pathway and osteoporosis
To be Published
4IZY
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BU of 4izy by Molmil
Crystal structure of JNK1 in complex with JIP1 peptide and 4-{4-[4-(4-Methanesulfonyl-piperidin-1-yl)-indol-1-yl]-pyrimidin-2-ylamino}-cyclohexan
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, trans-4-[(4-{4-[4-(methylsulfonyl)piperidin-1-yl]-1H-indol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
Authors:Kuglstatter, A, Shao, A.
Deposit date:2013-01-30
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of indole/indazole-aminopyrimidines as inhibitors of c-Jun N-terminal kinase (JNK): optimization for JNK potency and physicochemical properties.
Bioorg.Med.Chem.Lett., 23, 2013
4G1W
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BU of 4g1w by Molmil
Crystal structure of JNK1 in complex with JIP1 peptide and 7-Fluoro-3-[4-(2-hydroxy-ethanesulfonyl)-benzyl]-4-oxo-1-phenyl-1,4-dihydro-quinoline-2-carboxylic acid methyl ester
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, methyl 7-fluoro-3-{4-[(2-hydroxyethyl)sulfonyl]benzyl}-4-oxo-1-phenyl-1,4-dihydroquinoline-2-carboxylate
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-07-11
Release date:2013-07-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of JNK1 in complex with JIP1 peptide and inhibitor
To be Published
5OFL
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BU of 5ofl by Molmil
Crystal structure of CbXyn10C variant E140Q/E248Q complexed with cellohexaose
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Glycoside hydrolase family 48, SULFATE ION, ...
Authors:Hakulinen, N, Penttinen, L, Rouvinen, J.
Deposit date:2017-07-11
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.871 Å)
Cite:Insights into the roles of non-catalytic residues in the active site of a GH10 xylanase with activity on cellulose.
J. Biol. Chem., 292, 2017
5OFK
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BU of 5ofk by Molmil
Crystal structure of CbXyn10C variant E140Q/E248Q complexed with xyloheptaose
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Glycoside hydrolase family 48, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ...
Authors:Hakulinen, N, Penttinen, L, Rouvinen, J, Tu, T.
Deposit date:2017-07-11
Release date:2017-10-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Insights into the roles of non-catalytic residues in the active site of a GH10 xylanase with activity on cellulose.
J. Biol. Chem., 292, 2017
5OFJ
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BU of 5ofj by Molmil
Crystal structure of N-terminal domain of bifunctional CbXyn10C
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, Glycoside hydrolase family 48
Authors:Hakulinen, N, Penttinen, L, Rouvinen, J.
Deposit date:2017-07-11
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Insights into the roles of non-catalytic residues in the active site of a GH10 xylanase with activity on cellulose.
J. Biol. Chem., 292, 2017
2XUM
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BU of 2xum by Molmil
FACTOR INHIBITING HIF (FIH) Q239H MUTANT IN COMPLEX WITH ZN(II), NOG AND ASP-SUBSTRATE PEPTIDE (20-MER)
Descriptor: ASP-SUBSTRATE PEPTIDE 2, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N-OXALYLGLYCINE, ...
Authors:Chowdhury, R, McDonough, M.A, Schofield, C.J.
Deposit date:2010-10-19
Release date:2010-12-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Asparagine and aspartate hydroxylation of the cytoskeletal ankyrin family is catalyzed by factor-inhibiting hypoxia-inducible factor.
J. Biol. Chem., 286, 2011
5XG4
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BU of 5xg4 by Molmil
Crystal structure of uPA in complex with quercetin
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Urokinase-type plasminogen activator
Authors:Jiang, L, Huang, M.
Deposit date:2017-04-11
Release date:2017-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:A structural mechanism of flavonoids in inhibiting serine proteases
Food Funct, 8, 2017
4HYS
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BU of 4hys by Molmil
Crystal structure of JNK1 in complex with JIP1 peptide and 4-(4-Indazol-1-yl-pyrimidin-2-ylamino)-cyclohexan
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, trans-4-{[4-(1H-indazol-1-yl)pyrimidin-2-yl]amino}cyclohexanol
Authors:Kuglstatter, A, Janson, C.
Deposit date:2012-11-14
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.415 Å)
Cite:Development of amino-pyrimidine inhibitors of c-Jun N-terminal kinase (JNK): kinase profiling guided optimization of a 1,2,3-benzotriazole lead.
Bioorg.Med.Chem.Lett., 23, 2013
4HYU
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BU of 4hyu by Molmil
Crystal structure of JNK1 in complex with JIP1 peptide and 4-{4-[4-(3-Methanesulfonyl-propoxy)-indazol-1-yl]-pyrimidin-2-ylamino}-cyclohexan
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1H-indazol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2012-11-14
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.152 Å)
Cite:Development of amino-pyrimidine inhibitors of c-Jun N-terminal kinase (JNK): kinase profiling guided optimization of a 1,2,3-benzotriazole lead.
Bioorg.Med.Chem.Lett., 23, 2013
7VWV
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BU of 7vwv by Molmil
The crystal structure of African swine fever virus I73R
Descriptor: I73R
Authors:Shen, Z, Liang, R.
Deposit date:2021-11-11
Release date:2022-11-16
Last modified:2023-05-31
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:African swine fever virus I73R is a critical virulence-related gene: A potential target for attenuation.
Proc.Natl.Acad.Sci.USA, 120, 2023
4MIB
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BU of 4mib by Molmil
Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with Compound 48 (N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide)
Descriptor: DIMETHYL SULFOXIDE, N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide, RNA-DIRECTED RNA POLYMERASE
Authors:Harris, S.F, Villasenor, A.G.
Deposit date:2013-08-30
Release date:2014-05-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of N-[4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)-3-quinolyl]phenyl]methanesulfonamide (RG7109), a potent inhibitor of the hepatitis C virus NS5B polymerase.
J.Med.Chem., 57, 2014

 

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