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5H1U
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BU of 5h1u by Molmil
Complex structure of TRIM24 PHD-bromodomain and inhibitor 2
Descriptor: 2-amino-1,3-benzothiazole-6-carboxamide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ...
Authors:Liu, J.
Deposit date:2016-10-11
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
5H1T
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BU of 5h1t by Molmil
Complex structure of TRIM24 PHD-bromodomain and inhibitor 1
Descriptor: DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ZINC ION, ...
Authors:Liu, J.
Deposit date:2016-10-11
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
5H1V
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BU of 5h1v by Molmil
Complex structure of TRIM24 PHD-bromodomain and inhibitor 6
Descriptor: 2-Hydrazino-1,3-benzothiazole-6-carbohydrazide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ...
Authors:Liu, J.
Deposit date:2016-10-11
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
3IMX
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BU of 3imx by Molmil
Crystal Structure of human glucokinase in complex with a synthetic activator
Descriptor: (2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide, Glucokinase, SODIUM ION, ...
Authors:Stams, T, Vash, B.
Deposit date:2009-08-11
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes.
J.Med.Chem., 52, 2009
5D2U
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BU of 5d2u by Molmil
Crystal structure of tPphA Variant - H39A
Descriptor: CALCIUM ION, Protein serin-threonin phosphatase
Authors:Su, J.
Deposit date:2015-08-06
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Biochemical Characterization of a Cyanobacterial PP2C Phosphatase Reveals Insights into Catalytic Mechanism and Substrate Recognition
Catalysts, 2016
4FII
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BU of 4fii by Molmil
Catalytic domain of human PAK4 with RPKPLVDP peptide
Descriptor: Serine/threonine-protein kinase PAK 4
Authors:Ha, B.H, Boggon, T.J.
Deposit date:2012-06-08
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
5H1D
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BU of 5h1d by Molmil
Crystal structure of C-terminal of RhoGDI2
Descriptor: Rho GDP-dissociation inhibitor 2
Authors:Liu, J.
Deposit date:2016-10-08
Release date:2016-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.494 Å)
Cite:NMR characterization of weak interactions between RhoGDI2 and fragment screening hits.
Biochim. Biophys. Acta, 1861, 2017
5HFS
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BU of 5hfs by Molmil
CRYSTAL STRUCTURE OF C-TERMINAL DOMAIN OF CARGO PROTEINS OF TYPE IX SECRETION SYSTEM
Descriptor: CALCIUM ION, Gingipain R2, ZINC ION
Authors:Golik, P, Szmigielski, B, Ksiazek, M, Nowakowska, Z, Mizgalska, D, Nowak, M, Dubin, G, Potempa, J.
Deposit date:2016-01-07
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The outer-membrane export signal of Porphyromonas gingivalis type IX secretion system (T9SS) is a conserved C-terminal beta-sandwich domain.
Sci Rep, 6, 2016
4FIF
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BU of 4fif by Molmil
Catalytic domain of human PAK4 with RPKPLVDP peptide
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase PAK 4
Authors:Ha, B.H, Boggon, T.J.
Deposit date:2012-06-08
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Type II p21-activated kinases (PAKs) are regulated by an autoinhibitory pseudosubstrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
5YJ8
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BU of 5yj8 by Molmil
Identification of a small molecule inhibitor for the Tudor domain of TDRD3
Descriptor: 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one, SULFATE ION, Tudor domain-containing protein 3
Authors:Liu, J, Ruan, K.
Deposit date:2017-10-09
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Structural plasticity of the TDRD3 Tudor domain probed by a fragment screening hit.
FEBS J., 285, 2018
5DG2
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BU of 5dg2 by Molmil
Sugar binding protein - human galectin-2 (dimer)
Descriptor: Galectin-2, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Su, J.Y, Si, Y.L.
Deposit date:2015-08-27
Release date:2016-09-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.612 Å)
Cite:Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination.
Acta Biochim. Biophys. Sin. (Shanghai), 48, 2016
5DG1
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BU of 5dg1 by Molmil
Sugar binding protein - human galectin-2
Descriptor: Galectin-2, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y, Si, Y.L.
Deposit date:2015-08-27
Release date:2016-09-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination.
Acta Biochim.Biophys.Sin., 2016
5EWS
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BU of 5ews by Molmil
Sugar binding protein - human galectin-2
Descriptor: Galectin-2, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y, Si, Y.L.
Deposit date:2015-11-21
Release date:2016-09-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination.
Acta Biochim. Biophys. Sin. (Shanghai), 48, 2016
1KBR
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BU of 1kbr by Molmil
CRYSTAL STRUCTURE OF UNLIGATED HPPK(R92A) FROM E.COLI AT 1.55 ANGSTROM RESOLUTION
Descriptor: 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, CHLORIDE ION
Authors:Blaszczyk, J, Ji, X.
Deposit date:2001-11-06
Release date:2003-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Dynamic Roles of Arginine Residues 82 and 92 of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase: Crystallographic Studies
Biochemistry, 42, 2003
7BU9
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BU of 7bu9 by Molmil
Crystal Structure of Spindlin1-H3(K4me3-K9me2) complex
Descriptor: H3(K4me3-K9me2) peptide, Spindlin-1
Authors:Zhao, F, Li, H.
Deposit date:2020-04-05
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.502 Å)
Cite:Molecular basis for histone H3 "K4me3-K9me3/2" methylation pattern readout by Spindlin1.
J.Biol.Chem., 295, 2020
7BQZ
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BU of 7bqz by Molmil
Crystal Structure of Spindlin1 bound to H3(K4me3-K9me3) peptide
Descriptor: H3(K4me3-K9me3) peptide, Spindlin-1
Authors:Zhao, F, Li, H.
Deposit date:2020-03-26
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Molecular basis for histone H3 "K4me3-K9me3/2" methylation pattern readout by Spindlin1.
J.Biol.Chem., 295, 2020
5K1X
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BU of 5k1x by Molmil
Catalytic domain of polyspecific pyrrolysyl-tRNA synthetase mutant Y306A/N346A/C348A/Y384F in complex with AMPPNP
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Weber, A.
Deposit date:2016-05-18
Release date:2016-10-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Genetically encoded fluorophenylalanines enable insights into the recognition of lysine trimethylation by an epigenetic reader.
Chem.Commun.(Camb.), 52, 2016
5K1P
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BU of 5k1p by Molmil
Catalytic domain of polyspecific pyrrolysyl-tRNA synthetase mutant N346A/C348A in complex with AMPPNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Pyrrolysine--tRNA ligase
Authors:Weber, A.
Deposit date:2016-05-18
Release date:2016-10-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Genetically encoded fluorophenylalanines enable insights into the recognition of lysine trimethylation by an epigenetic reader.
Chem.Commun.(Camb.), 52, 2016
1EQM
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BU of 1eqm by Molmil
CRYSTAL STRUCTURE OF BINARY COMPLEX OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE WITH ADENOSINE-5'-DIPHOSPHATE
Descriptor: 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xiao, B, Blaszczyk, J, Ji, X.
Deposit date:2000-04-05
Release date:2001-04-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Unusual conformational changes in 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase as revealed by X-ray crystallography and NMR.
J.Biol.Chem., 276, 2001
6A9F
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BU of 6a9f by Molmil
Crystal structure of a cyclase from Fischerella sp. TAU in complex with 4-(1H-Indol-3-yl)butan-2-one
Descriptor: 4-(1~{H}-indol-3-yl)butan-2-one, CALCIUM ION, GLYCEROL, ...
Authors:Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-07-13
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
3T35
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BU of 3t35 by Molmil
Arabidopsis thaliana dynamin-related protein 1A in postfission state
Descriptor: Dynamin-related protein 1A, LINKER, GUANOSINE-5'-DIPHOSPHATE
Authors:Yan, L.M, Ma, Y.Y, Sun, Y.N, Lou, Z.Y.
Deposit date:2011-07-24
Release date:2012-06-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.592 Å)
Cite:Structural basis for mechanochemical role of Arabidopsis thaliana dynamin-related protein in membrane fission
J Mol Cell Biol, 3, 2011
3T34
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BU of 3t34 by Molmil
Arabidopsis thaliana dynamin-related protein 1A (AtDRP1A) in prefission state
Descriptor: Dynamin-related protein 1A, LINKER, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Yan, L.M, Ma, Y.Y, Sun, Y.N, Lou, Z.Y.
Deposit date:2011-07-24
Release date:2012-06-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.405 Å)
Cite:Structural basis for mechanochemical role of Arabidopsis thaliana dynamin-related protein in membrane fission
J Mol Cell Biol, 3, 2011
8G3C
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BU of 8g3c by Molmil
Crystal structure of human WDR5 in complex with N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide (compound 1, WDR5-MYC PPI inhibitor)
Descriptor: N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide, WD repeat-containing protein 5
Authors:Zhao, M.
Deposit date:2023-02-07
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.
J.Med.Chem., 66, 2023
8G3E
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BU of 8g3e by Molmil
Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor)
Descriptor: (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide, WD repeat-containing protein 5
Authors:Zhao, M.
Deposit date:2023-02-07
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.
J.Med.Chem., 66, 2023
5GZE
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BU of 5gze by Molmil
Galectin-8 N-terminal domain carbohydrate recognition domain
Descriptor: Galectin-8, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y, Si, Y.L.
Deposit date:2016-09-28
Release date:2016-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker.
Int J Mol Sci, 17, 2016

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数据于2024-06-12公开中

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