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6BXM
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BU of 6bxm by Molmil
Crystal structure of Candidatus Methanoperedens nitroreducens Dph2 with 4Fe-4S cluster and SAM/cleaved SAM
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, ALPHA-AMINOBUTYRIC ACID, Diphthamide biosynthesis enzyme Dph2, ...
著者Fenwick, M.K, Torelli, A.T, Zhang, Y, Dong, M, Kathiresan, V, Carantoa, J.D, Dzikovski, B, Lancaster, K.M, Freed, J.H, Hoffman, B.M, Lin, H, Ealick, S.E.
登録日2017-12-18
公開日2018-04-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.252 Å)
主引用文献Organometallic and radical intermediates reveal mechanism of diphthamide biosynthesis.
Science, 359, 2018
6BXN
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BU of 6bxn by Molmil
Crystal structure of Candidatus Methanoperedens nitroreducens Dph2 with 4Fe-4S cluster and SAM
分子名称: Diphthamide biosynthesis enzyme Dph2, IRON/SULFUR CLUSTER, S-ADENOSYLMETHIONINE
著者Fenwick, M.K, Torelli, A.T, Zhang, Y, Dong, M, Kathiresan, V, Carantoa, J.D, Dzikovski, B, Lancaster, K.M, Freed, J.H, Hoffman, B.M, Lin, H, Ealick, S.E.
登録日2017-12-18
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.079 Å)
主引用文献Organometallic and radical intermediates reveal mechanism of diphthamide biosynthesis.
Science, 359, 2018
6BXK
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BU of 6bxk by Molmil
Crystal structure of Pyrococcus horikoshii Dph2 with 4Fe-4S cluster and MTA
分子名称: 2-(3-amino-3-carboxypropyl)histidine synthase, 5'-DEOXY-5'-METHYLTHIOADENOSINE, IRON/SULFUR CLUSTER, ...
著者Torelli, A.T, Fenwick, M.K, Zhang, Y, Dong, M, Kathiresan, V, Carantoa, J.D, Dzikovski, B, Lancaster, K.M, Freed, J.H, Hoffman, B.M, Lin, H, Ealick, S.E.
登録日2017-12-18
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.347 Å)
主引用文献Organometallic and radical intermediates reveal mechanism of diphthamide biosynthesis.
Science, 359, 2018
6BXO
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BU of 6bxo by Molmil
Crystal structure of Candidatus Methanoperedens nitroreducens Dph2 with 4Fe-4S cluster and SAH
分子名称: Diphthamide biosynthesis enzyme Dph2, IRON/SULFUR CLUSTER, S-ADENOSYL-L-HOMOCYSTEINE
著者Fenwick, M.K, Torelli, A.T, Zhang, Y, Dong, M, Kathiresan, V, Carantoa, J.D, Dzikovski, B, Lancaster, K.M, Freed, J.H, Hoffman, B.M, Lin, H, Ealick, S.E.
登録日2017-12-18
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.655 Å)
主引用文献Organometallic and radical intermediates reveal mechanism of diphthamide biosynthesis.
Science, 359, 2018
2AIU
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BU of 2aiu by Molmil
Crystal Structure of Mouse Testicular Cytochrome C at 1.6 Angstrom
分子名称: Cytochrome c, testis-specific, PHOSPHATE ION, ...
著者Liu, Z, Ye, S, Lin, H, Rao, Z, Liu, X.J.
登録日2005-08-01
公開日2006-07-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Remarkably high activities of testicular cytochrome c in destroying reactive oxygen species and in triggering apoptosis
Proc.Natl.Acad.Sci.Usa, 103, 2006
4BB2
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BU of 4bb2 by Molmil
Crystal structure of cleaved corticosteroid-binding globulin in complex with progesterone
分子名称: 1,2-ETHANEDIOL, CORTICOSTEROID-BINDING GLOBULIN, CYSTEINE, ...
著者Gardill, B.R, Vogl, M.R, Lin, H, Hammond, G.L, Muller, Y.A.
登録日2012-09-19
公開日2012-12-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Corticosteroid-Binding Globulin: Structure-Function Implications from Species Differences
Plos One, 7, 2012
3LZD
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BU of 3lzd by Molmil
Crystal structure of Dph2 from Pyrococcus horikoshii with 4Fe-4S cluster
分子名称: Dph2, IRON/SULFUR CLUSTER, SULFATE ION
著者Torelli, A.T, Zhang, Y, Zhu, X, Lee, M, Dzikovski, B, Koralewski, R.M, Wang, E, Freed, J, Krebs, C, Lin, H, Ealick, S.E.
登録日2010-03-01
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Diphthamide biosynthesis requires an organic radical generated by an iron-sulphur enzyme.
Nature, 465, 2010
3LZC
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BU of 3lzc by Molmil
Crystal structure of Dph2 from Pyrococcus horikoshii
分子名称: Dph2
著者Zhang, Y, Zhu, X, Torelli, A.T, Lee, M, Dzikovski, B, Koralewski, R.M, Wang, E, Freed, J, Krebs, C, Lin, H, Ealick, S.E.
登録日2010-03-01
公開日2010-06-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.261 Å)
主引用文献Diphthamide biosynthesis requires an organic radical generated by an iron-sulphur enzyme.
Nature, 465, 2010
6M61
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BU of 6m61 by Molmil
Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) with inhibitor heptelidic acid
分子名称: (5aS,6R,9S,9aS)-9-methyl-9-oxidanyl-1-oxidanylidene-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Yan, Y, Zang, X, Cooper, S.J, Lin, H, Zhou, J, Tang, Y.
登録日2020-03-12
公開日2020-12-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82449543 Å)
主引用文献Biosynthesis of the fungal glyceraldehyde-3-phosphate dehydrogenase inhibitor heptelidic acid and mechanism of self-resistance
Chem Sci, 11, 2020
6M5X
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BU of 6m5x by Molmil
A fungal glyceraldehyde-3-phosphate dehydrogenase with self-resistance to inhibitor heptelidic acid
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Yan, Y, Zang, X, Cooper, S.J, Lin, H, Zhou, J, Tang, Y.
登録日2020-03-12
公開日2020-12-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05990934 Å)
主引用文献Biosynthesis of the fungal glyceraldehyde-3-phosphate dehydrogenase inhibitor heptelidic acid and mechanism of self-resistance
Chem Sci, 11, 2020
2KXQ
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BU of 2kxq by Molmil
Solution Structure of Smurf2 WW2 and WW3 bound to Smad7 PY motif containing peptide
分子名称: E3 ubiquitin-protein ligase SMURF2, Smad7 PY motif containing peptide
著者Chong, A, Lin, H, Wrana, J, Forman-Kay, J.D.
登録日2010-05-11
公開日2010-10-13
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Coupling of tandem Smad ubiquitination regulatory factor (Smurf) WW domains modulates target specificity.
Proc.Natl.Acad.Sci.USA, 107, 2010
4A3Y
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BU of 4a3y by Molmil
Crystal structure of Raucaffricine glucosidase from ajmaline biosynthesis pathway
分子名称: GLYCEROL, RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION
著者Xia, L, Ruppert, M, Wang, M, Panjikar, S, Barleben, L, Rajendran, C, Lin, H, Stoeckigt, J.
登録日2011-10-06
公開日2012-08-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity.
Acs Chem.Biol., 7, 2012
7F5C
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BU of 7f5c by Molmil
Crystal structure of BPTF-BRD with ligand DC-BPi-07 bound
分子名称: 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
著者Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65004492 Å)
主引用文献Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
7F5D
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BU of 7f5d by Molmil
Crystal structure of BPTF-BRD with ligand DC-BPi-03 bound
分子名称: 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
著者Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.57150865 Å)
主引用文献Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
7F5E
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BU of 7f5e by Molmil
Crystal structure of BPTF-BRD with ligand DC-BPi-11 bound
分子名称: N,N-dimethyl-3-[5-(2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-1-yl]propan-1-amine, Nucleosome-remodeling factor subunit BPTF
著者Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
登録日2021-06-21
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.20017123 Å)
主引用文献Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
3KKV
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BU of 3kkv by Molmil
Structure of PKA with a protein Kinase B-selective inhibitor.
分子名称: (2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy}-3-(1H-indol-3-yl)propan-2-amine, PKI kinase inhibitor, cAMP-dependent protein kinase catalytic subunit alpha
著者Elkins, P.A, Concha, N.O.
登録日2009-11-06
公開日2010-12-22
最終更新日2014-12-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of PKA with a protein Kinase B-selective inhibitor.
To be Published
6A73
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BU of 6a73 by Molmil
Complex structure of CSN2 with IP6
分子名称: COP9 signalosome complex subunit 2,Endolysin, INOSITOL HEXAKISPHOSPHATE, SULFATE ION
著者Liu, L, Li, D, Rao, F, Wang, T.
登録日2018-07-02
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.447 Å)
主引用文献Basis for metabolite-dependent Cullin-RING ligase deneddylation by the COP9 signalosome.
Proc.Natl.Acad.Sci.USA, 117, 2020
5HG1
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BU of 5hg1 by Molmil
Crystal Structure of Human Hexokinase 2 with cmpd 1, a C-2-substituted glucosamine
分子名称: 2-deoxy-2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-D-glucopyranose, 6-O-phosphono-beta-D-glucopyranose, CITRATE ANION, ...
著者Campobasso, N, Zhao, B, Smallwood, A.
登録日2016-01-07
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5HFU
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BU of 5hfu by Molmil
Crystal Structure of Human Hexokinase 2 with cmpd 27, a 2-amido-6-benzenesulfonamide glucosamine
分子名称: Hexokinase-2, ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide
著者Campobasso, N, Zhao, B, Smallwood, A.
登録日2016-01-07
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.923 Å)
主引用文献Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5HEX
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BU of 5hex by Molmil
Crystal Structure of Human Hexokinase 2 with cmpd 30, a 2-amino-6-benzenesulfonamide glucosamine
分子名称: 2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-D-glucopyranos e, Hexokinase-2
著者Campobasso, N, Zhao, B, Smallwood, A.
登録日2016-01-06
公開日2016-03-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.734 Å)
主引用文献Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
4F4U
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BU of 4f4u by Molmil
The bicyclic intermediate structure provides insights into the desuccinylation mechanism of SIRT5
分子名称: NAD-dependent lysine demalonylase and desuccinylase sirtuin-5, mitochondrial, ZINC ION, ...
著者Zhou, Y, Hao, Q.
登録日2012-05-11
公開日2012-06-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Bicyclic Intermediate Structure Provides Insights into the Desuccinylation Mechanism of Human Sirtuin 5 (SIRT5)
J.Biol.Chem., 287, 2012
4F56
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BU of 4f56 by Molmil
The bicyclic intermediate structure provides insights into the desuccinylation mechanism of SIRT5
分子名称: 3-[(2R,3aR,5R,6R,6aR)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,6-dihydroxytetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]propanoic acid, NAD-dependent lysine demalonylase and desuccinylase sirtuin-5, mitochondrial, ...
著者Zhou, Y, Hao, Q.
登録日2012-05-11
公開日2012-06-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Bicyclic Intermediate Structure Provides Insights into the Desuccinylation Mechanism of Human Sirtuin 5 (SIRT5)
J.Biol.Chem., 287, 2012
2QIC
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BU of 2qic by Molmil
Crystal Structure of the ING1 PHD Finger in complex with a Histone H3K4ME3 peptide
分子名称: H3K4ME3 PEPTIDE, Inhibitor of growth protein 1, ZINC ION
著者Pena, P.V, Champagne, K, Zhao, R, Kutateladze, T.G.
登録日2007-07-03
公開日2008-05-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Histone H3K4me3 binding is required for the DNA repair and apoptotic activities of ING1 tumor suppressor.
J.Mol.Biol., 380, 2008
3U31
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BU of 3u31 by Molmil
Plasmodium falciparum Sir2A preferentially hydrolyzes medium and long chain fatty acyl lysine
分子名称: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Transcriptional regulatory protein sir2 homologue, ...
著者Zhou, Y, Hao, Q.
登録日2011-10-04
公開日2011-11-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Plasmodium falciparum Sir2A Preferentially Hydrolyzes Medium and Long Chain Fatty Acyl Lysine
Acs Chem.Biol., 2011
8I1N
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BU of 8i1n by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with endogenous APS and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
著者Zhang, L, Song, W.Y, Zhang, L.
登録日2023-01-13
公開日2023-06-28
最終更新日2023-07-19
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023

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