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6KU2
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BU of 6ku2 by Molmil
The structure of EanB/Y353A complex with ergothioneine covalent linked with persulfide Cys412
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
著者Wu, L, Liu, P.H, Zhou, J.H.
登録日2019-08-30
公開日2020-08-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6KTZ
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BU of 6ktz by Molmil
The complex structure of EanB/C412S with hercynine
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
著者Wu, L, Liu, P.H, Zhou, J.H.
登録日2019-08-29
公開日2020-08-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6KTV
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BU of 6ktv by Molmil
The structure of EanB complex with hercynine and persulfided Cys412
分子名称: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, CHLORIDE ION, ...
著者Wu, L, Liu, P.H, Zhou, J.H.
登録日2019-08-29
公開日2020-08-26
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6KTX
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BU of 6ktx by Molmil
The wildtype structure of EanB
分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
著者Wu, L, Liu, P.H, Zhou, J.H.
登録日2019-08-29
公開日2020-08-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.189 Å)
主引用文献Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6KU1
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BU of 6ku1 by Molmil
The structure of EanB/Y353A complex with ergothioneine
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Wu, L, Liu, P.H, Zhou, J.H.
登録日2019-08-30
公開日2020-08-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
5UTS
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BU of 5uts by Molmil
Carbon Sulfoxide lyase, Egt2 in the Ergothioneine biosynthesis pathway
分子名称: C-S Lyase Egt2, FORMIC ACID
著者Irani, S, Zhang, Y.
登録日2017-02-15
公開日2018-02-21
最終更新日2025-04-02
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Snapshots of C-S Cleavage in Egt2 Reveals Substrate Specificity and Reaction Mechanism.
Cell Chem Biol, 25, 2018
7Y0V
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BU of 7y0v by Molmil
The co-crystal structure of BA.1-RBD with Fab-5549
分子名称: 5549-Fab, Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Xiao, J.Y, Zhang, Y.
登録日2022-06-06
公開日2022-09-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
7Y0C
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BU of 7y0c by Molmil
Crystal structure of BD55-1403 and SARS-CoV-2 Omicron RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-1403 Fab heavy chain, BD55-1403 Fab light chain, ...
著者Zhang, Z, Xiao, J.
登録日2022-06-04
公開日2022-09-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
5WNM
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BU of 5wnm by Molmil
Crystal structure of murine receptor-interacting protein 4 (Ripk4) D143N bound to tozasertib (VX-680)
分子名称: CHLORIDE ION, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, Receptor-interacting serine/threonine-protein kinase 4
著者Huang, C.S, Hymowitz, S.G.
登録日2017-08-01
公開日2018-05-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of Ripk4 Reveals Dimerization-Dependent Kinase Activity.
Structure, 26, 2018
5V12
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BU of 5v12 by Molmil
Crystal structure of Carbon Sulfoxide lyase, Egt2 Y134F with sulfenic acid intermediate
分子名称: (1S)-1-carboxy-2-[2-(hydroxysulfanyl)-1H-imidazol-4-yl]-N,N,N-trimethylethan-1-aminium, FORMIC ACID, Hercynylcysteine sulfoxide lyase
著者Irani, S, Zhang, Y.
登録日2017-03-01
公開日2018-03-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.451 Å)
主引用文献Snapshots of C-S Cleavage in Egt2 Reveals Substrate Specificity and Reaction Mechanism.
Cell Chem Biol, 25, 2018
4QGE
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BU of 4qge by Molmil
phosphodiesterase-9A in complex with inhibitor WYQ-C36D
分子名称: MAGNESIUM ION, N~2~-(1-cyclopentyl-4-oxo-4,7-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-(4-methoxyphenyl)-D-alaninamide, Phosphodiesterase 9A, ...
著者Shao, Y.-X, Huang, M, Cui, W, Ke, H.
登録日2014-05-22
公開日2014-12-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a Phosphodiesterase 9A Inhibitor as a Potential Hypoglycemic Agent.
J.Med.Chem., 57, 2014
5WNL
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BU of 5wnl by Molmil
Crystal structure of murine receptor-interacting protein 4 (Ripk4) D143N bound to staurosporine
分子名称: CHLORIDE ION, Receptor-interacting serine/threonine-protein kinase 4, STAUROSPORINE
著者Huang, C.S, Hymowitz, S.G.
登録日2017-08-01
公開日2018-05-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of Ripk4 Reveals Dimerization-Dependent Kinase Activity.
Structure, 26, 2018
2G0J
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BU of 2g0j by Molmil
Crystal structure of SMU.848 from Streptococcus mutans
分子名称: hypothetical protein SMU.848
著者Hou, H.-F, Gao, Z.-Q, Li, L.-F, Liang, Y.-H, Su, X.-D, Dong, Y.-H.
登録日2006-02-13
公開日2006-08-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of SMU.848 from Streptococcus mutans
To be Published
5WNI
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BU of 5wni by Molmil
Crystal structure of murine receptor-interacting protein kinase 4 (Ripk4) D143N in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
著者Huang, C.S, Hymowitz, S.G.
登録日2017-08-01
公開日2018-05-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal Structure of Ripk4 Reveals Dimerization-Dependent Kinase Activity.
Structure, 26, 2018
5WNJ
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BU of 5wnj by Molmil
Crystal structure of murine receptor-interacting protein kinase 4 (Ripk4) D143N in complex with lestaurtinib
分子名称: CHLORIDE ION, Lestaurtinib, Receptor-interacting serine/threonine-protein kinase 4
著者Huang, C.S, Hymowitz, S.G.
登録日2017-08-01
公開日2018-05-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal Structure of Ripk4 Reveals Dimerization-Dependent Kinase Activity.
Structure, 26, 2018
5V1X
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BU of 5v1x by Molmil
Carbon Sulfoxide lyase, Egt2 Y134F in complex with its substrate
分子名称: (1S)-2-{2-[(R)-(2R)-2-amino-2-carboxyethanesulfinyl]-1H-imidazol-4-yl}-1-carboxy-N,N,N-trimethylethan-1-aminium, FORMIC ACID, Hercynylcysteine sulfoxide lyase
著者Irani, S, Zhang, Y.
登録日2017-03-02
公開日2018-03-07
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.558 Å)
主引用文献Snapshots of C-S Cleavage in Egt2 Reveals Substrate Specificity and Reaction Mechanism.
Cell Chem Biol, 25, 2018
2G0I
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BU of 2g0i by Molmil
Crystal structure of SMU.848 from Streptococcus mutans
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, hypothetical protein SMU.848
著者Hou, H.-F, Gao, Z.-Q, Li, L.-F, Liang, Y.-H, Su, X.-D, Dong, Y.-H.
登録日2006-02-13
公開日2006-08-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of SMU.848 from Streptococcus mutans
To be Published
4GH6
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BU of 4gh6 by Molmil
Crystal structure of the PDE9A catalytic domain in complex with inhibitor 28
分子名称: High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, N-(4-methoxyphenyl)-N~2~-[1-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-L-alaninamide, ...
著者Hou, J, Ke, H.
登録日2012-08-07
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-Based Discovery of Highly Selective Phosphodiesterase-9A Inhibitors and Implications for Inhibitor Design.
J.Med.Chem., 55, 2012
4OIV
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BU of 4oiv by Molmil
Structural basis for small molecule NDB as a selective antagonist of FXR
分子名称: Bile acid receptor, N-benzyl-N-(3-tert-butyl-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino)benzamide
著者Xu, X, Chen, L, Hu, L, Shen, X.
登録日2014-01-20
公開日2015-03-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis for Small Molecule NDB (N-Benzyl-N-(3-(tert-butyl)-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino) Benzamide) as a Selective Antagonist of Farnesoid X Receptor alpha (FXR alpha ) in Stabilizing the Homodimerization of the Receptor.
J.Biol.Chem., 290, 2015
5WNK
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BU of 5wnk by Molmil
Crystal structure of murine receptor-interacting protein 4 (Ripk4) D143N bound to TG100-115
分子名称: 3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol, CHLORIDE ION, Receptor-interacting serine/threonine-protein kinase 4
著者Huang, C.S, Hymowitz, S.G.
登録日2017-08-01
公開日2018-05-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Crystal Structure of Ripk4 Reveals Dimerization-Dependent Kinase Activity.
Structure, 26, 2018
2HCU
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BU of 2hcu by Molmil
Crystal Structure Of Smu.1381 (or LeuD) from Streptococcus Mutans
分子名称: 3-isopropylmalate dehydratase small subunit, SULFATE ION
著者Gao, Z.Q, Hou, H.F, Li, L.F, Liang, Y.H, Su, X.D, Dong, Y.H.
登録日2006-06-19
公開日2006-07-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure Of Smu.1381 (or LeuD) from Streptococcus Mutans
To be Published
4HK2
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BU of 4hk2 by Molmil
U7Ub25.2540
分子名称: SULFATE ION, Ubiquitin
著者Murray, J.M, Rouge, L.
登録日2012-10-14
公開日2012-11-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Potent and selective inhibitors of USP7/HAUSP activity by protein conformational stabilization
to be published
4HJK
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BU of 4hjk by Molmil
U7Ub7 Disulfide variant
分子名称: PHOSPHATE ION, Ubiquitin
著者Murray, J.M, Rouge, L.
登録日2012-10-12
公開日2012-11-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.784 Å)
主引用文献Potent and selective inhibitors of USP7/HAUSP activity by protein conformational stabilization
to be published
9KHQ
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BU of 9khq by Molmil
Crystal structure of N-acyl homoserine lactonase AhlX
分子名称: MAGNESIUM ION, N-acylhomoserine lactonase, NICKEL (II) ION
著者Chen, Y, Chu, X.H.
登録日2024-11-11
公開日2025-04-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献An AHL-lactonase mutant featuring a unique "tri-His" motif exhibits enhanced activity, stability and effectively controls plant soft rot.
Int.J.Biol.Macromol., 308, 2025
9KHO
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BU of 9kho by Molmil
Crystal structure of N-acyl homoserine lactonase AhlX mutant M41(E77I/D177G/T243Y/H255L)
分子名称: N-acylhomoserine lactonase, NICKEL (II) ION
著者Chen, Y, Chu, X.H.
登録日2024-11-11
公開日2025-04-23
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献An AHL-lactonase mutant featuring a unique "tri-His" motif exhibits enhanced activity, stability and effectively controls plant soft rot.
Int.J.Biol.Macromol., 308, 2025

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