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8TC9
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BU of 8tc9 by Molmil
Human asparaginyl-tRNA synthetase bound to OSM-S-106
Descriptor: Asparagine--tRNA ligase, cytoplasmic, GLYCEROL, ...
Authors:Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W.
Deposit date:2023-06-30
Release date:2024-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
8TC8
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BU of 8tc8 by Molmil
Human asparaginyl-tRNA synthetase bound to adenosine 5'-sulfamate
Descriptor: 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE, Asparagine--tRNA ligase, cytoplasmic, ...
Authors:Dogovski, C, Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W.
Deposit date:2023-06-30
Release date:2024-02-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase.
Nat Commun, 15, 2024
6NJM
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BU of 6njm by Molmil
Architecture and subunit arrangement of native AMPA receptors
Descriptor: 15F1 Fab heavy chain, 15F1 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gouaux, E, Zhao, Y.
Deposit date:2019-01-03
Release date:2019-04-24
Last modified:2024-12-25
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Architecture and subunit arrangement of native AMPA receptors elucidated by cryo-EM.
Science, 364, 2019
6C0S
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BU of 6c0s by Molmil
Factor XIA in complex with the inhibitor methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2- (1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl) carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2018-01-02
Release date:2018-03-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Pyridazine and pyridazinone derivatives as potent and selective factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
9IIC
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BU of 9iic by Molmil
Crystal structure of HOIP RING2-LDD in complex with STK4 KD domain
Descriptor: E3 ubiquitin-protein ligase RNF31, GLYCEROL, Serine/threonine-protein kinase 4 37kDa subunit, ...
Authors:Wang, Y.R, Zhou, X.D, Pan, L.F.
Deposit date:2024-06-20
Release date:2025-06-25
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Crystal structure of HOIP RING2-LDD in complex with STK4 KD domain
To Be Published
6NJN
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BU of 6njn by Molmil
Architecture and subunit arrangement of native AMPA receptors
Descriptor: 11B8 scFv, 15F1 Fab heavy chain, 15F1 Fab light chain, ...
Authors:Gouaux, E, Zhao, Y.
Deposit date:2019-01-03
Release date:2019-04-24
Last modified:2024-12-25
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Architecture and subunit arrangement of native AMPA receptors elucidated by cryo-EM.
Science, 364, 2019
5M0L
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BU of 5m0l by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the methylated Fasudil-derived fragment N-methylisoquinoline-5-sulfonamide (Ligand 02)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-05
Release date:2018-06-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.465 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
7PNJ
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BU of 7pnj by Molmil
Human Angiogenin quardruple mutant-S28AT36AS37AS87A
Descriptor: Angiogenin, CITRIC ACID
Authors:Papaioannou, O.S.E, Leonidas, D.D.
Deposit date:2021-09-07
Release date:2021-09-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and Biochemical Characterization of the Human Angiogenin-Proliferating Cell Nuclear Antigen Interaction.
Biochemistry, 62, 2023
7PNR
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BU of 7pnr by Molmil
Human Angiogenin mutant-S28AT36AS37A
Descriptor: Angiogenin
Authors:Papaioannou, O.S.E, Leonidas, D.D.
Deposit date:2021-09-07
Release date:2021-09-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Biochemical Characterization of the Human Angiogenin-Proliferating Cell Nuclear Antigen Interaction.
Biochemistry, 62, 2023
6HY7
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BU of 6hy7 by Molmil
Crystal structure of alpha9 nAChR extracellular domain in complex with alpha-conotoxin RgIA
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-conotoxin RgIA, ...
Authors:Giastas, P, Zouridakis, M.
Deposit date:2018-10-19
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal Structure of the Monomeric Extracellular Domain of alpha 9 Nicotinic Receptor Subunit in Complex With alpha-Conotoxin RgIA: Molecular Dynamics Insights Into RgIA Binding to alpha 9 alpha 10 Nicotinic Receptors.
Front Pharmacol, 10, 2019
3EWF
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BU of 3ewf by Molmil
Crystal Structure Analysis of human HDAC8 H143A variant complexed with substrate.
Descriptor: 7-AMINO-4-METHYL-CHROMEN-2-ONE, Histone deacetylase 8, PEPTIDIC SUBSTRATE, ...
Authors:Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W.
Deposit date:2008-10-14
Release date:2008-12-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors.
Biochemistry, 47, 2008
4O8J
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BU of 4o8j by Molmil
Crystal structure of RtcA, the RNA 3'-terminal phosphate cyclase from Pyrococcus horikoshii, in complex with rACAAA3'phosphate and adenine.
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE, RNA, ...
Authors:Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T.
Deposit date:2013-12-27
Release date:2014-09-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure of RNA 3'-phosphate cyclase bound to substrate RNA.
Rna, 20, 2014
5LCT
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BU of 5lct by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a R-methyl-piperazine substituted Fasudil-derivative (Ligand 02)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[(2~{R})-2-methylpiperazin-1-yl]sulfonylisoquinoline, METHANOL, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-06-22
Release date:2018-01-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.615 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5LCU
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BU of 5lcu by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a S-methyl-piperazine substituted Fasudil-derivative (Ligand 01)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE, METHANOL, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-06-22
Release date:2018-01-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.579 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
1JER
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BU of 1jer by Molmil
CUCUMBER STELLACYANIN, CU2+, PH 7.0
Descriptor: COPPER (II) ION, CUCUMBER STELLACYANIN
Authors:Hart, P.J, Nersissian, A.M, Herrmann, R.G, Nalbandyan, R.M, Valentine, J.S, Eisenberg, D.
Deposit date:1996-08-21
Release date:1997-02-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A missing link in cupredoxins: crystal structure of cucumber stellacyanin at 1.6 A resolution.
Protein Sci., 5, 1996
3TDI
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BU of 3tdi by Molmil
yeast Cul1WHB-Dcn1P acetylated Ubc12N complex
Descriptor: Defective in cullin neddylation protein 1, NEDD8-conjugating enzyme UBC12
Authors:Scott, D.C, Monda, J.K, Bennett, E.J, Harper, J.W, Schulman, B.A.
Deposit date:2011-08-11
Release date:2011-10-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:N-terminal acetylation acts as an avidity enhancer within an interconnected multiprotein complex.
Science, 334, 2011
1B4L
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BU of 1b4l by Molmil
15 ATMOSPHERE OXYGEN YEAST CU/ZN SUPEROXIDE DISMUTASE ROOM TEMPERATURE (298K) STRUCTURE
Descriptor: COPPER (II) ION, PROTEIN (CU/ZN SUPEROXIDE DISMUTASE), ZINC ION
Authors:Hart, P.J, Balbirnie, M.M, Ogihara, N.L, Nersissian, A.M, Weiss, M.S, Valentine, J.S, Eisenberg, D.
Deposit date:1998-12-22
Release date:1999-12-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999
6E1Q
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BU of 6e1q by Molmil
AtGH3.15 acyl acid amido synthetase in complex with 2,4-DB
Descriptor: (2,4-DICHLOROPHENOXY)ACETIC ACID, AtGH3.15 acyl acid amido synthetase, PHOSPHATE ION
Authors:Sharp, A.M, Lee, S.G, Jez, J.M.
Deposit date:2018-07-10
Release date:2018-10-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.148 Å)
Cite:Modification of auxinic phenoxyalkanoic acid herbicides by the acyl acid amido synthetase GH3.15 from Arabidopsis.
J. Biol. Chem., 293, 2018
1Z7G
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BU of 1z7g by Molmil
Free human HGPRT
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase
Authors:Keough, D.T, Brereton, I.M, de Jersey, J, Guddat, L.W.
Deposit date:2005-03-24
Release date:2005-08-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Crystal Structure of Free Human Hypoxanthine-guanine Phosphoribosyltransferase Reveals Extensive Conformational Plasticity Throughout the Catalytic Cycle
J.Mol.Biol., 351, 2005
9FYD
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BU of 9fyd by Molmil
tubulin - cryptophycin-uD[Dab] complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Dessin, C, Schachtsiek, T, Voss, J, Abel, A.-C, Neumann, B, Stammler, H.-G, Prota, A.E, Sewald, N.
Deposit date:2024-07-03
Release date:2024-10-09
Last modified:2024-12-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Highly Cytotoxic Cryptophycin Derivatives with Modification in Unit D for Conjugation.
Angew.Chem.Int.Ed.Engl., 63, 2024
4WNV
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BU of 4wnv by Molmil
Human Cytochrome P450 2D6 Quinine Complex
Descriptor: Cytochrome P450 2D6, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Wang, A, Stout, C.D, Johnson, E.F.
Deposit date:2014-10-14
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
4OWK
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BU of 4owk by Molmil
Crystal Structure of the Vibrio vulnificus Hemolysin/Cytolysin Beta-Trefoil Lectin with N-Acetyl-D-Galactosamine Bound
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, Cytolysin, GLYCEROL
Authors:Kaus, K, Olson, R.
Deposit date:2014-02-02
Release date:2014-05-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Glycan Specificity of the Vibrio vulnificus Hemolysin Lectin Outlines Evolutionary History of Membrane Targeting by a Toxin Family.
J.Mol.Biol., 426, 2014
3AQE
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BU of 3aqe by Molmil
Crystal structure of the extracellular domain of human RAMP2
Descriptor: Receptor activity-modifying protein 2
Authors:Kusano, S, Kukimoto-Niino, M, Shirouzu, M, Shindo, T, Yokoyama, S.
Deposit date:2010-10-29
Release date:2011-11-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for extracellular interactions between calcitonin receptor-like receptor and receptor activity-modifying protein 2 for adrenomedullin-specific binding
Protein Sci., 21, 2012
5J5H
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BU of 5j5h by Molmil
X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(2-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(2-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine, Acetylcholine-binding protein, ...
Authors:Kaczanowska, K, Harel, M, Camacho Hernandez, A.G, Taylor, P.
Deposit date:2016-04-02
Release date:2017-03-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Substituted 2-Aminopyrimidines Selective for alpha 7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.
J. Am. Chem. Soc., 139, 2017
5AFH
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BU of 5afh by Molmil
alpha7-AChBP in complex with lobeline
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN, NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-7, ...
Authors:Spurny, R, Debaveye, S, Farinha, A, Veys, K, Gossas, T, Atack, J, Bertrand, D, Kemp, J, Vos, A, Danielson, U.H, Tresadern, G, Ulens, C.
Deposit date:2015-01-22
Release date:2015-05-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular Blueprint of Allosteric Binding Sites in a Homologue of the Agonist-Binding Domain of the Alpha7 Nicotinic Acetylcholine Receptor.
Proc.Natl.Acad.Sci.USA, 112, 2015

238582

數據於2025-07-09公開中

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