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2BU6
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crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
Descriptor: (N-{4-[(ETHYLANILINO)SULFONYL]-2-METHYLPHENYL}-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANAMIDE, PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2
Authors:Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G.
Deposit date:2005-06-08
Release date:2006-02-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
2WY3
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Structure of the HCMV UL16-MICB complex elucidates select binding of a viral immunoevasin to diverse NKG2D ligands
Descriptor: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Mueller, S, Zocher, G, Steinle, A, Stehle, T.
Deposit date:2009-11-11
Release date:2010-02-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Hcmv Ul16-Micb Complex Elucidates Select Binding of a Viral Immunoevasin to Diverse Nkg2D Ligands.
Plos Pathog., 6, 2010
2BU8
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crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DICHLORO-ACETIC ACID, MAGNESIUM ION, ...
Authors:Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G.
Deposit date:2005-06-08
Release date:2006-02-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
2BU2
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crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands
Descriptor: 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G.
Deposit date:2005-06-08
Release date:2006-02-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
7Q8T
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Crystal structure of NAMPT bound to ligand TSY535(compound 9a)
Descriptor: Nicotinamide phosphoribosyltransferase, SULFATE ION, [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate
Authors:Kraemer, A, Tang, S, Butterworth, S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-11-11
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Chemistry-led investigations into the mode of action of NAMPT activators, resulting in the discovery of non-pyridyl class NAMPT activators.
Acta Pharm Sin B, 13, 2023
4NKH
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Crystal structure of SspH1 LRR domain
Descriptor: E3 ubiquitin-protein ligase sspH1
Authors:Keszei, A.F.A, Xiaojing, T, Mccormick, C, Zeqiraj, E, Rohde, J.R, Tyers, M, Sicheri, F.
Deposit date:2013-11-12
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of an SspH1-PKN1 Complex Reveals the Basis for Host Substrate Recognition and Mechanism of Activation for a Bacterial E3 Ubiquitin Ligase.
Mol.Cell.Biol., 34, 2014
3LVV
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BSO-inhibited ScGCL
Descriptor: (2S)-2-amino-4-(S-butyl-N-phosphonosulfonimidoyl)butanoic acid, ADENOSINE-5'-DIPHOSPHATE, Glutamate--cysteine ligase, ...
Authors:Barycki, J.J, Biterova, E.I.
Deposit date:2010-02-22
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for feedback and pharmacological inhibition of Saccharomyces cerevisiae glutamate cysteine ligase.
J.Biol.Chem., 285, 2010
7QRX
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Crystal structure of NHL domain of TRIM71
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM71
Authors:Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-01-12
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family.
Iucrj, 9, 2022
5HEW
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BU of 5hew by Molmil
Pentameric ligand-gated ion channel ELIC mutant T28D
Descriptor: Gamma-aminobutyric-acid receptor subunit beta-1
Authors:Engeler, S, Dutzler, R.
Deposit date:2016-01-06
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Signal Transduction at the Domain Interface of Prokaryotic Pentameric Ligand-Gated Ion Channels.
Plos Biol., 14, 2016
5HEJ
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BU of 5hej by Molmil
Pentameric ligand-gated ion channel ELIC mutant F116A
Descriptor: Gamma-aminobutyric-acid receptor subunit beta-1
Authors:Bertozzi, C, Dutzler, R.
Deposit date:2016-01-06
Release date:2016-03-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Signal Transduction at the Domain Interface of Prokaryotic Pentameric Ligand-Gated Ion Channels.
Plos Biol., 14, 2016
4ZIY
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BU of 4ziy by Molmil
Structure of UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate--D-alanyl-D-alanyl ligase from Acinetobacter baumannii
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-04-28
Release date:2015-05-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate--D-alanyl-D-alanyl ligase from Acinetobacter baumannii
to be published
1FBV
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STRUCTURE OF A CBL-UBCH7 COMPLEX: RING DOMAIN FUNCTION IN UBIQUITIN-PROTEIN LIGASES
Descriptor: SIGNAL TRANSDUCTION PROTEIN CBL, SULFATE ION, UBIQUITIN-CONJUGATING ENZYME E12-18 KDA UBCH7, ...
Authors:Zheng, N, Wang, P, Jeffrey, P.D, Pavletich, N.P.
Deposit date:2000-07-17
Release date:2000-08-30
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a c-Cbl-UbcH7 complex: RING domain function in ubiquitin-protein ligases.
Cell(Cambridge,Mass.), 102, 2000
8OJ5
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60S ribosomal subunit bound to the E3-UFM1 complex - state 3 (in-vitro reconstitution)
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Penchev, I, DaRosa, P.A, Peter, J.J, Kulathu, Y, Becker, T, Beckmann, R, Kopito, R.
Deposit date:2023-03-23
Release date:2024-02-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER.
Nature, 627, 2024
8OHD
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60S ribosomal subunit bound to the E3-UFM1 complex - state 3 (native)
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Penchev, I, DaRosa, P.A, Becker, T, Beckmann, R, Kopito, R.
Deposit date:2023-03-21
Release date:2024-02-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER.
Nature, 627, 2024
7T79
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CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE
Descriptor: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
7T78
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CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE
Descriptor: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
Authors:Muckelbauer, J.K.
Deposit date:2021-12-14
Release date:2022-03-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
5EDV
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Structure of the HOIP-RBR/UbcH5B~ubiquitin transfer complex
Descriptor: E3 ubiquitin-protein ligase RNF31, Polyubiquitin-B, Ubiquitin-conjugating enzyme E2 D2, ...
Authors:Lechtenberg, B.C, Mace, P.D, Sanishvili, R, Riedl, S.J.
Deposit date:2015-10-22
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.48 Å)
Cite:Structure of a HOIP/E2~ubiquitin complex reveals RBR E3 ligase mechanism and regulation.
Nature, 529, 2016
5HPS
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System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: WWP1 and UbV P1.1
Descriptor: Ubiquitin variant P1.1, WWP1 HECT
Authors:Wu, K.-P, Mercredi, P.Y, Schulman, B.A.
Deposit date:2016-01-20
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
5V0I
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Crystal Structure of Tryptophanyl-tRNA Synthetase from Escherichia coli Complexed with AMP and Tryptophan
Descriptor: ADENOSINE MONOPHOSPHATE, FORMIC ACID, TRYPTOPHAN, ...
Authors:Maltseva, N, Kim, Y, Mulligan, R, Grimshaw, S.G, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-28
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Tryptophanyl-tRNA Synthetase from Escherichia coli Complexed with AMP and Tryptophan
To Be Published
8OJ0
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60S ribosomal subunit bound to the E3-UFM1 complex - state 2 (native)
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Penchev, I, DaRosa, P.A, Becker, T, Beckmann, R, Kopito, R.
Deposit date:2023-03-23
Release date:2024-02-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:UFM1 E3 ligase promotes recycling of 60S ribosomal subunits from the ER.
Nature, 627, 2024
2NSO
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BU of 2nso by Molmil
Trna-gunanine-transglycosylase (TGT) mutant Y106F, C158V, A232S, V233G- APO-Structure
Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Tidten, N, Heine, A, Reuter, K, Klebe, G.
Deposit date:2006-11-06
Release date:2007-12-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor.
Plos One, 8, 2013
1YIN
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BU of 1yin by Molmil
Human estrogen receptor alpha ligand-binding domain in complex with compound 3F
Descriptor: (2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL, Estrogen receptor
Authors:Fitzgerald, P.M, Sharma, N.
Deposit date:2005-01-12
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Estrogen receptor ligands. Part 10: Chromanes: old scaffolds for new SERAMs.
Bioorg.Med.Chem.Lett., 15, 2005
1YIM
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Human estrogen receptor alpha ligand-binding domain in complex with compound 4
Descriptor: (2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL, Estrogen receptor
Authors:Fitzgerald, P.M, Sharma, N.
Deposit date:2005-01-12
Release date:2005-07-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Estrogen receptor ligands. Part 10: Chromanes: old scaffolds for new SERAMs.
Bioorg.Med.Chem.Lett., 15, 2005
1FTJ
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BU of 1ftj by Molmil
CRYSTAL STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH GLUTAMATE AT 1.9 RESOLUTION
Descriptor: GLUTAMATE RECEPTOR SUBUNIT 2, GLUTAMIC ACID, ZINC ION
Authors:Armstrong, N, Gouaux, E.
Deposit date:2000-09-12
Release date:2000-11-01
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanisms for activation and antagonism of an AMPA-sensitive glutamate receptor: crystal structures of the GluR2 ligand binding core.
Neuron, 28, 2000
5TMZ
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BU of 5tmz by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S,17S)-16-(3-methoxybenzyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Descriptor: (9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.207 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017

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數據於2024-10-02公開中

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