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5O6P
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BU of 5o6p by Molmil
Structure of beta-phosphoglucomutase D10N mutant in complex with glucose-1,6-bisphosphate
分子名称: 1,6-di-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, MAGNESIUM ION
著者Bowler, M.W.
登録日2017-06-07
公開日2018-06-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
5OJZ
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BU of 5ojz by Molmil
D10N variant of beta-phosphoglucomutase from Lactococcus lactis inhibited by a beryllium triflouride phosphoenzyme analogue to 1.3A resolution.
分子名称: 1,2-ETHANEDIOL, BERYLLIUM TRIFLUORIDE ION, Beta-phosphoglucomutase, ...
著者Robertson, A.J, Bisson, C.
登録日2017-07-25
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
5OK0
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BU of 5ok0 by Molmil
Structure of the D10N mutant of beta-phosphoglucomutase from Lactococcus lactis trapped with native reaction intermediate beta-glucose 1,6-bisphosphate to 2.2A resolution.
分子名称: 1,3-PROPANDIOL, 1,6-di-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, ...
著者Robertson, A.J, Bisson, C.
登録日2017-07-25
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
5OK2
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BU of 5ok2 by Molmil
Structure of the D10N mutant of beta-phosphoglucomutase from Lactococcus lactis inhibited with glucose 6-phosphate and tetrafluoroaluminate to 1.1A resolution.
分子名称: 1,2-ETHANEDIOL, 6-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, ...
著者Robertson, A.J, Bisson, C.
登録日2017-07-25
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
7XW5
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BU of 7xw5 by Molmil
TSHR-thyroid stimulating hormone-Gs-ML109 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, Glycoprotein hormones alpha chain, ...
著者Duan, J, Xu, P, Luan, X, Ji, Y, Yuan, Q, He, X, Ye, J, Cheng, X, Jiang, H, Zhang, S, Jiang, Y, Xu, H.E.
登録日2022-05-26
公開日2022-08-24
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Hormone- and antibody-mediated activation of the thyrotropin receptor.
Nature, 609, 2022
7XW6
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BU of 7xw6 by Molmil
TSHR-Gs-M22 antibody-ML109 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Duan, J, Xu, P, Luan, X, Ji, Y, Yuan, Q, He, X, Ye, J, Cheng, X, Jiang, H, Zhang, S, Jiang, Y, Xu, H.E.
登録日2022-05-26
公開日2022-08-17
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.78 Å)
主引用文献Hormone- and antibody-mediated activation of the thyrotropin receptor.
Nature, 609, 2022
3LON
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BU of 3lon by Molmil
HCV NS3-4a protease domain with ketoamide inhibitor narlaprevir
分子名称: (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, BETA-MERCAPTOETHANOL, Genome polyprotein, ...
著者Prongay, A.J.
登録日2010-02-04
公開日2011-01-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Candidate selection and preclinical evaluation culminating in the discovery of Narlaprevir (SCH 900518): A potent, selective and orally efficacious second generation HCV NS3 serine protease inhibitor
To be Published
6SMY
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BU of 6smy by Molmil
Crystal structure of SLA Reductase YihU from E. Coli with NADH and product DHPS
分子名称: (2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid, 3-sulfolactaldehyde reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Sharma, M, Davies, G.J.
登録日2019-08-23
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Dynamic Structural Changes Accompany the Production of Dihydroxypropanesulfonate by Sulfolactaldehyde Reductase
Acs Catalysis, 2020
6SMZ
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BU of 6smz by Molmil
Crystal structure of SLA Reductase YihU from E. Coli in complex with NADH
分子名称: 3-sulfolactaldehyde reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Sharma, M, Davies, G.J.
登録日2019-08-23
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Dynamic Structural Changes Accompany the Production of Dihydroxypropanesulfonate by Sulfolactaldehyde Reductase
Acs Catalysis, 2020
6SM7
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BU of 6sm7 by Molmil
Crystal structure of SLA Reductase YihU from E. Coli
分子名称: 3-sulfolactaldehyde reductase, BORIC ACID
著者Sharma, M, Davies, G.J.
登録日2019-08-21
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Dynamic Structural Changes Accompany the Production of Dihydroxypropanesulfonate by Sulfolactaldehyde Reductase
Acs Catalysis, 2020
3GBW
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BU of 3gbw by Molmil
Crystal structure of the first PHR domain of the Mouse Myc-binding protein 2 (MYCBP-2)
分子名称: E3 ubiquitin-protein ligase MYCBP2
著者Sampathkumar, P, Ozyurt, S.A, Wasserman, S.R, Klemke, R.L, Miller, S.A, Bain, K.T, Rutter, M.E, Tarun, G, Atwell, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-02-20
公開日2009-03-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Structures of PHR domains from Mus musculus Phr1 (Mycbp2) explain the loss-of-function mutation (Gly1092-->Glu) of the C. elegans ortholog RPM-1.
J.Mol.Biol., 397, 2010
7NE2
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BU of 7ne2 by Molmil
Crystal structure of class I SFP aldolase YihT from Salmonella enterica with SFP/ DHAP (Schiff base complex with active site Lys193)
分子名称: (2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid, Sulfofructosephosphate aldolase, [(~{E})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate
著者Sharma, M, Davies, G.J.
登録日2021-02-03
公開日2021-04-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
4AXX
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BU of 4axx by Molmil
The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with ADP 3-phosphoglycerate and beryllium trifluoride
分子名称: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
著者Bowler, M.W.
登録日2012-06-15
公開日2013-06-26
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Metal fluorides-multi-functional tools for the study of phosphoryl transfer enzymes, a practical guide.
Structure, 2024
3HWJ
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BU of 3hwj by Molmil
Crystal structure of the second PHR domain of Mouse Myc-binding protein 2 (MYCBP-2)
分子名称: DIMETHYL SULFOXIDE, E3 ubiquitin-protein ligase MYCBP2
著者Sampathkumar, P, Ozyurt, S.A, Wasserman, S.R, Miller, S.A, Bain, K.T, Rutter, M.E, Gheyi, T, Klemke, R.L, Atwell, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-06-17
公開日2009-07-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structures of PHR domains from Mus musculus Phr1 (Mycbp2) explain the loss-of-function mutation (Gly1092-->Glu) of the C. elegans ortholog RPM-1.
J.Mol.Biol., 397, 2010
4DBW
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BU of 4dbw by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin
分子名称: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid
著者Chen, M, Christianson, D.W, Marnett, L.J, Penning, T.M.
登録日2012-01-16
公開日2013-03-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17 beta-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer.
J.Med.Chem., 56, 2013
3A1U
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BU of 3a1u by Molmil
Crystal structue of the cytosolic domain of T. maritima FeoB iron iransporter in GMPPNP form
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Iron(II) transport protein B, MAGNESIUM ION, ...
著者Hattori, M, Ishitani, R, Nureki, O.
登録日2009-04-22
公開日2009-09-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of novel interactions between the small-GTPase and GDI-like domains in prokaryotic FeoB iron transporter
Structure, 17, 2009
3A1S
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BU of 3a1s by Molmil
Crystal structue of the cytosolic domain of T. maritima FeoB iron iransporter in GDP form I
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Hattori, M, Ishitani, R, Nureki, O.
登録日2009-04-22
公開日2009-09-22
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of novel interactions between the small-GTPase and GDI-like domains in prokaryotic FeoB iron transporter
Structure, 17, 2009
3A1W
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BU of 3a1w by Molmil
Crystal structue of the G domain of T. maritima FeoB iron iransporter
分子名称: Iron(II) transport protein B, SULFATE ION
著者Hattori, M, Ishitani, R, Nureki, O.
登録日2009-04-22
公開日2009-09-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9001 Å)
主引用文献Structural basis of novel interactions between the small-GTPase and GDI-like domains in prokaryotic FeoB iron transporter
Structure, 17, 2009
3A1T
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BU of 3a1t by Molmil
Crystal structue of the cytosolic domain of T. maritima FeoB iron iransporter in GDP form II
分子名称: GUANOSINE-5'-DIPHOSPHATE, Iron(II) transport protein B
著者Hattori, M, Ishitani, R, Nureki, O.
登録日2009-04-22
公開日2009-09-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of novel interactions between the small-GTPase and GDI-like domains in prokaryotic FeoB iron transporter
Structure, 17, 2009
3A1V
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BU of 3a1v by Molmil
Crystal structue of the cytosolic domain of T. maritima FeoB iron iransporter in apo form
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Hattori, M, Ishitani, R, Nureki, O.
登録日2009-04-22
公開日2009-09-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis of novel interactions between the small-GTPase and GDI-like domains in prokaryotic FeoB iron transporter
Structure, 17, 2009
7AG7
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BU of 7ag7 by Molmil
Crystal structure of SFP aldolase YihT from Salmonella enterica in complex with sulfate bound at the active site
分子名称: SULFATE ION, Sulfofructosephosphate aldolase
著者Sharma, M, Davies, G.J.
登録日2020-09-21
公開日2021-04-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
7AG4
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BU of 7ag4 by Molmil
Crystal structure of active site mutant of SQ Isomerase (YihS-H248A) from Salmonella enterica in complex with sulfofructose (SF)
分子名称: 6-deoxy-6-sulfo-D-fructose, Sulfoquinovose isomerase
著者Sharma, M, Davies, G.J.
登録日2020-09-21
公開日2021-04-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
7AG6
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BU of 7ag6 by Molmil
Crystal structure of SF kinase YihV from E. coli in complex with sulfofructose (SF), ADP-Mg
分子名称: 6-deoxy-6-sulfo-D-fructose, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Sharma, M, Davies, G.J.
登録日2020-09-21
公開日2021-04-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
7AGK
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BU of 7agk by Molmil
Crystal structure of E. coli SF kinase (YihV) in complex with product sulfofructose phosphate (SFP)
分子名称: Sulfofructose kinase, [(2~{S},3~{S},4~{S},5~{R})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid
著者Sharma, M, Davies, G.J.
登録日2020-09-22
公開日2021-04-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
5IMX
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BU of 5imx by Molmil
Anaplastic lymphoma kinase (ALK) catalytic domain complexed with novel inhibitor 3-sulfonylpyrazol-4-amino pyrimidine
分子名称: 5-chloro-N~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1H-pyrazol-4-yl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
著者Wang, C, Zhang, P, Dong, J.
登録日2016-03-07
公開日2016-05-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Design and synthesis of novel 3-sulfonylpyrazol-4-amino pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016

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