Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
4QYY
DownloadVisualize
BU of 4qyy by Molmil
Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State
Descriptor: (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A.
Deposit date:2014-07-26
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase.
J.Med.Chem., 57, 2014
1ZVA
DownloadVisualize
BU of 1zva by Molmil
A structure-based mechanism of SARS virus membrane fusion
Descriptor: E2 glycoprotein
Authors:Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M.
Deposit date:2005-06-01
Release date:2006-05-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein.
Structure, 14, 2006
1ZVB
DownloadVisualize
BU of 1zvb by Molmil
A structure-based mechanism of SARS virus membrane fusion
Descriptor: E2 glycoprotein
Authors:Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M.
Deposit date:2005-06-01
Release date:2006-05-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein.
Structure, 14, 2006
1ZV8
DownloadVisualize
BU of 1zv8 by Molmil
A structure-based mechanism of SARS virus membrane fusion
Descriptor: ACETATE ION, CACODYLATE ION, E2 glycoprotein, ...
Authors:Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M.
Deposit date:2005-06-01
Release date:2006-05-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein.
Structure, 14, 2006
1ZV7
DownloadVisualize
BU of 1zv7 by Molmil
A structure-based mechanism of SARS virus membrane fusion
Descriptor: CHLORIDE ION, spike glycoprotein
Authors:Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M.
Deposit date:2005-06-01
Release date:2006-05-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein.
Structure, 14, 2006
2B1F
DownloadVisualize
BU of 2b1f by Molmil
Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat
Descriptor: General control protein GCN4
Authors:Deng, Y, Liu, J, Zheng, Q, Eliezer, D, Kallenbach, N.R, Lu, M.
Deposit date:2005-09-15
Release date:2006-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat.
Structure, 14, 2006
2B22
DownloadVisualize
BU of 2b22 by Molmil
Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat
Descriptor: General control protein GCN4, SODIUM ION
Authors:Deng, Y, Liu, J, Zheng, Q, Eliezer, D, Kallenbach, N.R, Lu, M.
Deposit date:2005-09-16
Release date:2006-01-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat.
Structure, 14, 2006
6QYH
DownloadVisualize
BU of 6qyh by Molmil
Structure of Apo HPAB from E.coli
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxyphenylacetate 3-monooxygenase oxygenase component, CALCIUM ION, ...
Authors:Pecqueur, L, Lombard, M, Deng, Y, Fontecave, M.
Deposit date:2019-03-09
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural and Functional Characterization of 4-Hydroxyphenylacetate 3-Hydroxylase from Escherichia coli.
Chembiochem, 21, 2020
6QYI
DownloadVisualize
BU of 6qyi by Molmil
Structure of HPAB from E.coli in complex with FAD
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxyphenylacetate 3-monooxygenase oxygenase component, DI(HYDROXYETHYL)ETHER, ...
Authors:Pecqueur, L, Lombard, M, Deng, Y, Fontecave, M.
Deposit date:2019-03-09
Release date:2019-06-12
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Characterization of 4-Hydroxyphenylacetate 3-Hydroxylase from Escherichia coli.
Chembiochem, 21, 2020
8G2G
DownloadVisualize
BU of 8g2g by Molmil
Crystal structure of PRMT3 with compound YD1113
Descriptor: 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3, SULFATE ION
Authors:Song, X, Dong, A, Arrowsmith, C.H, Edwards, A.M, Deng, Y, Huang, R, Min, J.
Deposit date:2023-02-03
Release date:2023-04-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
8G2F
DownloadVisualize
BU of 8g2f by Molmil
Crystal Structure of PRMT3 with Compound II710
Descriptor: 5'-S-[3-(N'-benzylcarbamimidamido)propyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-02-03
Release date:2023-05-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
8G2H
DownloadVisualize
BU of 8g2h by Molmil
Crystal Structure of PRMT4 with Compound YD1113
Descriptor: 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-02-03
Release date:2023-12-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
8G2I
DownloadVisualize
BU of 8g2i by Molmil
Crystal Structure of PRMT4 with Compound YD1290
Descriptor: 5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-02-03
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
6AW8
DownloadVisualize
BU of 6aw8 by Molmil
2.25A resolution domain swapped dimer structure of SAH bound catechol O-methyltransferase (COMT) from Nannospalax galili
Descriptor: CALCIUM ION, Catechol O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution
To be published
6AW6
DownloadVisualize
BU of 6aw6 by Molmil
1.70A resolution structure of catechol O-methyltransferase (COMT) L136M (rhombohedral form) from Nannospalax galili
Descriptor: Catechol O-methyltransferase, SULFATE ION
Authors:Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution
To be published
6AW5
DownloadVisualize
BU of 6aw5 by Molmil
1.90A resolution structure of catechol O-methyltransferase (COMT) L136M (hexagonal form) from Nannospalax galili
Descriptor: CHLORIDE ION, Catechol O-methyltransferase, GLYCEROL, ...
Authors:Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution
To be published
6AW4
DownloadVisualize
BU of 6aw4 by Molmil
1.50A resolution structure of catechol O-methyltransferase (COMT) from Nannospalax galili
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catechol O-methyltransferase, GLYCEROL, ...
Authors:Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution
To be published
6AW9
DownloadVisualize
BU of 6aw9 by Molmil
2.55A resolution structure of SAH bound catechol O-methyltransferase (COMT) L136M from Nannospalax galili
Descriptor: CALCIUM ION, Catechol O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution
To be published
6AW7
DownloadVisualize
BU of 6aw7 by Molmil
2.15A resolution structure of SAH bound catechol O-methyltransferase (COMT) from Nannospalax galili
Descriptor: CALCIUM ION, Catechol O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution
To be published
4UXL
DownloadVisualize
BU of 4uxl by Molmil
Structure of Human ROS1 Kinase Domain in Complex with PF-06463922
Descriptor: (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS
Authors:McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
Deposit date:2014-08-25
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Pf-06463922 is a Potent and Selective Next-Generation Ros1/Alk Inhibitor Capable of Blocking Crizotinib-Resistant Ros1 Mutations.
Proc.Natl.Acad.Sci.USA, 112, 2015
1T8Z
DownloadVisualize
BU of 1t8z by Molmil
Atomic Structure of A Novel Tryptophan-Zipper Pentamer
Descriptor: DODECAETHYLENE GLYCOL, Major outer membrane lipoprotein, SULFATE ION
Authors:Liu, J, Yong, W, Deng, Y, Kallenbach, N.R, Lu, M.
Deposit date:2004-05-13
Release date:2004-11-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Atomic structure of a tryptophan-zipper pentamer.
Proc.Natl.Acad.Sci.USA, 101, 2004
6DCG
DownloadVisualize
BU of 6dcg by Molmil
Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology
Descriptor: (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A.
Deposit date:2018-05-06
Release date:2018-08-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
2A7R
DownloadVisualize
BU of 2a7r by Molmil
Crystal structure of human Guanosine Monophosphate reductase 2 (GMPR2)
Descriptor: GMP reductase 2, GUANOSINE-5'-MONOPHOSPHATE, SULFATE ION
Authors:Li, J, Wei, Z, Zheng, M, Gu, X, Deng, Y, Qiu, R, Chen, F, Ji, C, Gong, W, Xie, Y, Mao, Y.
Deposit date:2005-07-05
Release date:2006-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of Human Guanosine Monophosphate Reductase 2 (GMPR2) in Complex with GMP
J.Mol.Biol., 355, 2006
7SS1
DownloadVisualize
BU of 7ss1 by Molmil
The structure of NTMT1 in complex with compound GD433
Descriptor: (1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluoro-3-hydroxyphenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate, N-terminal Xaa-Pro-Lys N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Yadav, R, Guangping, D, Deng, Y, Huang, R, Noinaj, N.
Deposit date:2021-11-09
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a first-in-class small molecule inhibitor for Protein N-terminal methyltransferases 1/2
To Be Published
2GUV
DownloadVisualize
BU of 2guv by Molmil
Conformational Transition between Four- and Five-stranded Phenylalanine Zippers Determined by a Local Packing Interaction
Descriptor: Major outer membrane lipoprotein
Authors:Liu, J, Zheng, Q, Deng, Y, Kallenbach, N.R, Lu, M.
Deposit date:2006-05-01
Release date:2006-07-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conformational Transition between Four and Five-stranded Phenylalanine Zippers Determined by a Local Packing Interaction.
J.Mol.Biol., 361, 2006

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon