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6HI0
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BU of 6hi0 by Molmil
Klebsiella pneumoniae Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-Sulfamoyl)uridine
Descriptor: 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-Sulfamoyl)uridine, CALCIUM ION, ...
Authors:Pang, L, De Graef, S, Weeks, S.D, Strelkov, S.V.
Deposit date:2018-08-29
Release date:2019-12-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
5ISL
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BU of 5isl by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor C49 (2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid)
Descriptor: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-15
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.694 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVC
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BU of 5ivc by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N3 (4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid)
Descriptor: 1,2-ETHANEDIOL, 4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-20
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.573 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IWF
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BU of 5iwf by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor 2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinamid
Descriptor: 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide, Lysine-specific demethylase 5A,Lysine-specific demethylase 5A, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-22
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.289 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVB
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BU of 5ivb by Molmil
A High Resolution Structure of a Linked KDM5A Jmj Domain with Alpha-Ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, GLYCEROL, Lysine-specific demethylase 5A,Lysine-specific demethylase 5A, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-20
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.389 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVF
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BU of 5ivf by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N10 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol
Descriptor: 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol, Lysine-specific demethylase 5A, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-20
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.683 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVV
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BU of 5ivv by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N12 [3-((1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino)isonicotinic acid]
Descriptor: 3-[(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 5A, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-21
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5JHU
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BU of 5jhu by Molmil
Potent, Reversible MetAP2 Inhibitors via FBDD
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, MANGANESE (II) ION, ...
Authors:Dougan, D.R.
Deposit date:2016-04-21
Release date:2016-05-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 1.
Bioorg.Med.Chem.Lett., 26, 2016
5IVJ
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BU of 5ivj by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N11 [3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid]
Descriptor: 3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-21
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.569 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVY
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BU of 5ivy by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N16 [3-(2-(4-chlorophenyl)acetamido)isonicotinic acid]
Descriptor: 3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid, Lysine-specific demethylase 5A, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-21
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
4RAK
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BU of 4rak by Molmil
Crystal structure of nuclear receptor subfamily 1, group h, member 2 (lxrb) complexed with partial agonist
Descriptor: 1,4-BUTANEDIOL, 2-{2-[2-(2-chlorophenyl)propan-2-yl]-1-[3'-(methylsulfonyl)biphenyl-4-yl]-1H-imidazol-4-yl}propan-2-ol, Oxysterols receptor LXR-beta
Authors:Nanao, M.
Deposit date:2014-09-10
Release date:2014-12-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Liver X Receptor (LXR) partial agonists: Biaryl pyrazoles and imidazoles displaying a preference for LXR beta.
Bioorg.Med.Chem.Lett., 25, 2015
8FVR
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BU of 8fvr by Molmil
CryoEM structure of E.coli transcription elongation complex
Descriptor: DNA (53-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Duan, W, Serganov, A.
Deposit date:2023-01-19
Release date:2023-04-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.42 Å)
Cite:Control of transcription elongation and DNA repair by alarmone ppGpp.
Nat.Struct.Mol.Biol., 30, 2023
8FVW
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BU of 8fvw by Molmil
CryoEM structure of E.coli transcription elongation complex bound to ppGpp
Descriptor: DNA (53-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Duan, W, Serganov, A.
Deposit date:2023-01-19
Release date:2023-04-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Control of transcription elongation and DNA repair by alarmone ppGpp.
Nat.Struct.Mol.Biol., 30, 2023
5T1S
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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
5T1T
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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
4D5H
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BU of 4d5h by Molmil
Focal Adhesion Kinase catalytic domain
Descriptor: 6-methyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-3(4H)-one, FOCAL ADHESION KINASE 1, SULFATE ION
Authors:Le Coq, J, Lin, A, Lietha, D.
Deposit date:2014-11-05
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
4D5K
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BU of 4d5k by Molmil
Focal Adhesion Kinase catalytic domain
Descriptor: DIMETHYL SULFOXIDE, FOCAL ADHESION KINASE, SULFATE ION
Authors:Le Coq, J, Lin, A, Lietha, D.
Deposit date:2014-11-05
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
4D4R
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BU of 4d4r by Molmil
Focal Adhesion Kinase catalytic domain
Descriptor: FOCAL ADHESION KINASE 1, SULFATE ION
Authors:Le Coq, J, Lin, A, Lietha, D.
Deposit date:2014-10-31
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
4D4S
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BU of 4d4s by Molmil
Focal Adhesion Kinase catalytic domain
Descriptor: 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE, DIMETHYL SULFOXIDE, FOCAL ADHESION KINASE 1, ...
Authors:Le Coq, J, Lin, A, Lietha, D.
Deposit date:2014-10-31
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
4D4V
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BU of 4d4v by Molmil
Focal Adhesion Kinase catalytic domain
Descriptor: 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline, DIMETHYL SULFOXIDE, FOCAL ADHESION KINASE, ...
Authors:Le Coq, J, Lin, A, Lietha, D.
Deposit date:2014-10-31
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
4D58
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BU of 4d58 by Molmil
Focal Adhesion Kinase catalytic domain in complex with bis-anilino pyrimidine inhibitor
Descriptor: 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE, FOCAL ADHESION KINASE, SULFATE ION
Authors:Le Coq, J, Lin, A, Lietha, D.
Deposit date:2014-11-03
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
4D4Y
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BU of 4d4y by Molmil
Focal Adhesion Kinase catalytic domain
Descriptor: DIMETHYL SULFOXIDE, FOCAL ADHESION KINASE 1, SULFATE ION
Authors:Le Coq, J, Lin, A, Lietha, D.
Deposit date:2014-10-31
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
4D55
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BU of 4d55 by Molmil
Focal Adhesion Kinase catalytic domain
Descriptor: FOCAL ADHESION KINASE, SULFATE ION
Authors:Le Coq, J, Lin, A, Lietha, D.
Deposit date:2014-11-03
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
6XAV
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BU of 6xav by Molmil
CryoEM Structure of E. coli Rho-dependent Transcription Pre-termination Complex bound with NusG
Descriptor: DNA (29-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Hao, Z.T, Kim, H.K, Walz, T, Nudler, E.
Deposit date:2020-06-04
Release date:2020-12-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (7.7 Å)
Cite:Pre-termination Transcription Complex: Structure and Function.
Mol.Cell, 81, 2021
6XAS
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BU of 6xas by Molmil
CryoEM Structure of E. coli Rho-dependent Transcription Pre-termination Complex
Descriptor: DNA (29-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Hao, Z.T, Kim, H.K, Walz, T, Nudler, E.
Deposit date:2020-06-04
Release date:2020-12-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Pre-termination Transcription Complex: Structure and Function.
Mol.Cell, 81, 2021

221716

数据于2024-06-26公开中

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