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8TKN
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BU of 8tkn by Molmil
Murine NF-kappaB p50 Rel Homology Region homodimer in complex with 10-mer kappaB DNA from human Neutrophil Gelatinase-associated Lipocalin (NGAL) promoter
分子名称: DNA A, DNA B, Nuclear factor NF-kappa-B p50 subunit
著者Zhu, N, Mealka, M, Mitchel, S, Rogers, W.E, Huxford, T.
登録日2023-07-25
公開日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023
8TKM
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BU of 8tkm by Molmil
Murine NF-kappaB p50 Rel Homology Region homodimer in complex with 17-mer kappaB DNA from human interleukin-6 (IL-6) promoter
分子名称: 17-mer kappaB DNA, Nuclear factor NF-kappa-B p50 subunit
著者Zhu, N, Mealka, M, Mitchel, S, Rogers, W.E, Huxford, T.
登録日2023-07-25
公開日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023
6JUZ
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BU of 6juz by Molmil
Crystal Structure of N-terminal domain of ArgZ(N71S) covalently bond to a reaction intermediate
分子名称: 1,2-ETHANEDIOL, ARGININE, Sll1336 protein
著者Zhuang, N, Li, L, Wu, X, Zhuang, Y.
登録日2019-04-15
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
5JK5
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BU of 5jk5 by Molmil
Phenylalanine hydroxylase from dictyostelium - BH2 complex
分子名称: 7,8-DIHYDROBIOPTERIN, FE (III) ION, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ...
著者Zhuang, N, Lee, K.H.
登録日2016-04-26
公開日2017-04-26
実験手法X-RAY DIFFRACTION (2.071 Å)
主引用文献Phenylalanine hydroxylase from dictyostelium - BH2 complex
To Be Published
5JK6
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BU of 5jk6 by Molmil
Phenylalanine hydroxylase from dictyostelium - apo form
分子名称: FE (III) ION, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), Phenylalanine-4-hydroxylase
著者Zhuang, N, Lee, K.H.
登録日2016-04-26
公開日2017-04-26
実験手法X-RAY DIFFRACTION (2.072 Å)
主引用文献Phenylalanine hydroxylase from dictyostelium - apo form
To Be Published
5JK8
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BU of 5jk8 by Molmil
Phenylalanine hydroxylase from dictyostelium - BH2, norleucine complex
分子名称: 7,8-DIHYDROBIOPTERIN, FE (III) ION, NORLEUCINE, ...
著者Zhuang, N, Lee, K.H.
登録日2016-04-26
公開日2017-05-03
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献Phenylalanine hydroxylase from dictyostelium - BH2, norleucine complex
To Be Published
6JV0
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BU of 6jv0 by Molmil
Crystal Structure of N-terminal domain of ArgZ, bound to Product, an arginine dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria
分子名称: 1,2-ETHANEDIOL, L-ornithine, Sll1336 protein
著者Zhuang, N, Li, L, Wu, X, Zhang, Y.
登録日2019-04-15
公開日2020-01-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
6JUY
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BU of 6juy by Molmil
Crystal Structure of ArgZ, apo structure, an Arginine Dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria
分子名称: Sll1336 protein
著者Zhuang, N, Li, L, Wu, X, Zhang, Y.
登録日2019-04-15
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
6JV1
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BU of 6jv1 by Molmil
Crystal Structure of N-terminal domain of ArgZ, C264S mutant, bound to Substrate, an arginine dihydrolase from the Ornithine-Ammonia Cycle in Cyanobacteria
分子名称: ARGININE, Sll1336 protein
著者Zhuang, N, Li, L, Wu, X, Zhang, Y.
登録日2019-04-15
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
J.Biol.Chem., 295, 2020
4HU0
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BU of 4hu0 by Molmil
Crystal Structure of a metagenome-derived cellulase Cel5A in complex with cellotetraose
分子名称: Cellulase, GLYCEROL, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Zhuang, N, Lee, K.H.
登録日2012-11-02
公開日2012-12-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Crystal Structure of a metagenome-derived cellulase Cel5A in complex with cellotetraose
To be Published
4HAC
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BU of 4hac by Molmil
Crystal Structure of the Mevalonate Kinase from an Archaeon Methanosarcina mazei
分子名称: MAGNESIUM ION, Mevalonate kinase
著者Zhuang, N, Lee, K.H.
登録日2012-09-26
公開日2012-12-12
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystallization and preliminary X-ray diffraction analysis of mevalonate kinase from Methanosarcina mazei.
Acta Crystallogr.,Sect.F, 68, 2012
4HTY
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BU of 4hty by Molmil
Crystal Structure of a metagenome-derived cellulase Cel5A
分子名称: Cellulase, GLYCEROL
著者Zhuang, N, Lee, K.H.
登録日2012-11-02
公開日2012-12-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure and substrate-binding mode of cellulase Cel5A from a metagenome library
To be Published
8T7C
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BU of 8t7c by Molmil
Crystal structure of human phospholipase C gamma 2
分子名称: 1,2-ETHANEDIOL, 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2, CALCIUM ION
著者Chen, Y, Choi, H, Zhuang, N, Hu, L, Qian, D, Wang, J.
登録日2023-06-20
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The crystal and cryo-EM structures of PLCg2 reveal dynamic inter-domain recognitions in autoinhibition
To Be Published
8UPV
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BU of 8upv by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 33
分子名称: 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
著者Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
登録日2023-10-23
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
8UPS
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BU of 8ups by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 5
分子名称: (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION
著者Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J.
登録日2023-10-23
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
8UPW
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BU of 8upw by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 34
分子名称: 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
著者Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
登録日2023-10-23
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
8UTE
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BU of 8ute by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 27
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
著者Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
登録日2023-10-31
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
4IRB
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BU of 4irb by Molmil
Crystal Structure of Vaccinia Virus Uracil DNA Glycosylase Mutant del171-172D4
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Schormann, N, Zhukovskaya, N, Sartmatova, D, Nuth, M, Ricciardi, R.P, Chattopadhyay, D.
登録日2013-01-14
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mutations at the dimer interface affect both function and structure of the Vaccinia virus uracil DNA glycosylase
To be Published
8TKL
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BU of 8tkl by Molmil
Murine NF-kappaB p50 Rel Homology Region homodimer in complex with a Test 16-mer kappaB-like DNA
分子名称: Nuclear factor NF-kappa-B p50 subunit, Test 17-mer kappaB-like DNA
著者Mitchel, S, Mealka, M, Rogers, W.E, Milani, C, Acuna, L.M, Huxford, T.
登録日2023-07-25
公開日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献X-ray Crystallographic Study of Preferred Spacing by the NF-kappa B p50 Homodimer on kappa B DNA.
Biomolecules, 13, 2023
3I9G
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BU of 3i9g by Molmil
Crystal structure of the LT1009 (SONEPCIZUMAB) antibody Fab fragment in complex with sphingosine-1-phosphate
分子名称: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, CALCIUM ION, MAGNESIUM ION, ...
著者Huxford, T.
登録日2009-07-10
公開日2009-09-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of sphingosine-1-phosphate in complex with a Fab fragment reveals metal bridging of an antibody and its antigen.
Proc.Natl.Acad.Sci.USA, 106, 2009
5BXJ
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BU of 5bxj by Molmil
Complex of the Fk1 domain mutant A19T of FKBP51 with 4-Nitrophenol
分子名称: P-NITROPHENOL, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Wu, D, Tao, X, Chen, Z, Han, J, Jia, W, Li, X, Wang, Z, He, Y.X.
登録日2015-06-09
公開日2016-05-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献The environmental endocrine disruptor p-nitrophenol interacts with FKBP51, a positive regulator of androgen receptor and inhibits androgen receptor signaling in human cells
J. Hazard. Mater., 307, 2016
7FDK
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BU of 7fdk by Molmil
SARS-COV-2 Spike RBDMACSp36 binding to mACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDH
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BU of 7fdh by Molmil
SARS-COV-2 Spike RBDMACSp25 binding to hACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDI
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BU of 7fdi by Molmil
SARS-COV-2 Spike RBDMACSp36 binding to hACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021
7FDG
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BU of 7fdg by Molmil
SARS-COV-2 Spike RBDMACSp6 binding to hACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1
著者Wang, X, Cao, L.
登録日2021-07-16
公開日2021-08-25
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Characterization and structural basis of a lethal mouse-adapted SARS-CoV-2.
Nat Commun, 12, 2021

 

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