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PDB: 334 件
2XCF
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BU of 2xcf by Molmil
Crystal structure of HCV NS3 protease with a boronate inhibitor
分子名称: CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, MAGNESIUM ION, NS3 PROTEASE, ...
著者Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E.
登録日2010-04-22
公開日2010-06-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
3VTR
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BU of 3vtr by Molmil
Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 E328A complexed with TMG-chitotriomycin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetylglucosaminidase
著者Liu, T, Zhou, Y, Chen, L, Chen, W, Liu, L, Shen, X, Yang, Q.
登録日2012-06-02
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into cellulolytic and chitinolytic enzymes revealing crucial residues of insect beta-N-acetyl-D-hexosaminidase
Plos One, 7, 2012
3WZF
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BU of 3wzf by Molmil
Crystal structure of human cytoplasmic aspartate aminotransferase
分子名称: Aspartate aminotransferase, cytoplasmic
著者Jiang, X, Chang, H, Zhou, Y, Chen, L, Yang, Q.
登録日2014-09-24
公開日2015-10-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.991 Å)
主引用文献Recombinant expression, purification and Preliminary crystallographic studies of human cytoplasmic aspartate aminotransferase
To be Published
6LE8
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BU of 6le8 by Molmil
Crystal structure of nematode family I chitinase,CeCht1, in complex with dihydropyrrolopyrazol-6-one derivate 1
分子名称: (4R)-4-(4-ethoxyphenyl)-3-(2-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
著者Chen, Q, Yang, Q, Zhou, Y.
登録日2019-11-24
公開日2021-05-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.39909327 Å)
主引用文献Crystal structure of nematode family I chitinase,CeCht1, in complex with dihydropyrrolopyrazol-6-one derivate 1
To Be Published
7TAC
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BU of 7tac by Molmil
Cryo-EM structure of the (TGA3)2-(NPR1)2-(TGA3)2 complex
分子名称: PALMITIC ACID, Regulatory protein NPR1, Transcription factor TGA3, ...
著者Wu, Q, Zhou, Y, Bartesaghi, A, Dong, X, Zhou, P.
登録日2021-12-20
公開日2022-03-16
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
3WL0
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BU of 3wl0 by Molmil
Crystal structure of Ostrinia furnacalis Group I chitinase catalytic domain E148A mutant in complex with a(GlcNAc)2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase
著者Chen, L, Liu, T, Zhou, Y, Chen, Q, Shen, X, Yang, Q.
登録日2013-11-05
公開日2014-04-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.204 Å)
主引用文献Structural characteristics of an insect group I chitinase, an enzyme indispensable to moulting.
Acta Crystallogr.,Sect.D, 70, 2014
3WKZ
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BU of 3wkz by Molmil
Crystal Structure of the Ostrinia furnacalis Group I Chitinase catalytic domain E148Q mutant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase
著者Chen, L, Liu, T, Zhou, Y, Chen, Q, Shen, X, Yang, Q.
登録日2013-11-05
公開日2014-04-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural characteristics of an insect group I chitinase, an enzyme indispensable to moulting.
Acta Crystallogr.,Sect.D, 70, 2014
3WL1
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BU of 3wl1 by Molmil
Crystal structure of Ostrinia furnacalis Group I chitinase catalytic domain in complex with reaction products (GlcNAc)2,3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chen, L, Liu, T, Zhou, Y, Chen, Q, Shen, X, Yang, Q.
登録日2013-11-05
公開日2014-04-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.772 Å)
主引用文献Structural characteristics of an insect group I chitinase, an enzyme indispensable to moulting.
Acta Crystallogr.,Sect.D, 70, 2014
6NJD
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BU of 6njd by Molmil
Crystal structure of RavD (residues 1-200) from Legionella pneumophila (strain Corby) complexed with Met-1 linked di-ubiquitin
分子名称: Di-ubiquitin, MAGNESIUM ION, RavD
著者Wang, X, Zhou, Y, Zhu, Y.
登録日2019-01-03
公開日2019-05-22
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A bacterial effector deubiquitinase specifically hydrolyses linear ubiquitin chains to inhibit host inflammatory signalling.
Nat Microbiol, 4, 2019
7TAD
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BU of 7tad by Molmil
CryoEM structure of the (NPR1)2-(TGA3)2 complex
分子名称: PALMITIC ACID, Regulatory protein NPR1, Transcription factor TGA3, ...
著者Wu, Q, Zhou, Y, Bartesaghi, A, Dong, X, Zhou, P.
登録日2021-12-20
公開日2022-03-16
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
3X22
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BU of 3x22 by Molmil
Crystal structure of Escherichia coli nitroreductase NfsB mutant N71S/F123A/F124W
分子名称: FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase
著者Bai, J, Yang, J, Zhou, Y, Yang, Q.
登録日2014-12-06
公開日2015-11-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural basis of Escherichia coli nitroreductase NfsB triple mutants engineered for improved activity and regioselectivity toward the prodrug CB1954
PROCESS BIOCHEM, 50, 2015
3W4R
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BU of 3w4r by Molmil
Crystal structure of an insect chitinase from the Asian corn borer, Ostrinia furnacalis
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase
著者Chen, L, Liu, T, Zhou, Y, Shen, X, Yang, Q.
登録日2013-01-10
公開日2014-02-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural characteristics of an insect group I chitinase, an enzyme indispensable to moulting
Acta Crystallogr.,Sect.D, 70, 2014
1JVM
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BU of 1jvm by Molmil
KCSA POTASSIUM CHANNEL WITH TBA (TETRABUTYLAMMONIUM) AND RUBIDIUM
分子名称: RUBIDIUM ION, TETRABUTYLAMMONIUM ION, Voltage-gated potassium channel
著者Morais-Cabral, J.H, Zhou, Y, MacKinnon, R.
登録日2001-08-30
公開日2001-12-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Energetic optimization of ion conduction rate by the K+ selectivity filter.
Nature, 414, 2001
3X21
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BU of 3x21 by Molmil
Crystal structure of Escherichia coli nitroreductase NfsB mutant T41L/N71S/F124W
分子名称: FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase
著者Bai, J, Yang, J, Zhou, Y, Yang, Q.
登録日2014-12-06
公開日2015-05-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.002 Å)
主引用文献Altering the regioselectivity of a nitroreductase in the synthesis of arylhydroxylamines by structure-based engineering.
Chembiochem, 16, 2015
4MHA
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BU of 4mha by Molmil
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1817
分子名称: 2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide, CHLORIDE ION, MAGNESIUM ION, ...
著者Zhang, W, Mciver, A, Stashko, M.A, Deryckere, D, Branchford, B.R, Hunter, D, Kireev, D.B, Miley, D.B.M, Norris-Drouin, J, Stewart, W.M, Lee, M, Sather, S, Zhou, Y, Dipaola, J.A, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X.
登録日2013-08-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis.
J.Med.Chem., 56, 2013
4M3Q
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BU of 4m3q by Molmil
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1917
分子名称: CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein kinase Mer, ...
著者Zhang, W, Zhang, D, Stashko, M.A, DeRyckere, D, Hunter, D, Kireev, D.B, Miley, M, Cummings, C, Lee, M, Norris-Drouin, J, Stewart, W.M, Sather, S, Zhou, Y, Kirkpatrick, G, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X.
登録日2013-08-06
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.718 Å)
主引用文献Pseudo-Cyclization through Intramolecular Hydrogen Bond Enables Discovery of Pyridine Substituted Pyrimidines as New Mer Kinase Inhibitors.
J.Med.Chem., 56, 2013
4MH7
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BU of 4mh7 by Molmil
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1896
分子名称: CHLORIDE ION, MAGNESIUM ION, N-butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-methylpyrimidine-5-carboxamide, ...
著者Zhang, W, McIver, A, Stashko, M.A, Deryckere, D, Branchford, B.R, Hunter, D, Kireev, D.B, Miley, M.J, Norris-Drouin, J, Stewart, W.M, Lee, M, Sather, S, Zhou, Y, DiPaola, J.A, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X.
登録日2013-08-29
公開日2014-05-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis.
J.Med.Chem., 56, 2013
3RXS
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BU of 3rxs by Molmil
Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamine (F04 and A06, cocktail experiment)
分子名称: 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXE
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BU of 3rxe by Molmil
Crystal structure of Trypsin complexed with benzamide
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXR
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BU of 3rxr by Molmil
Crystal structure of Trypsin complexed with cycloheptanamine (F01 and F03, cocktail experiment)
分子名称: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
6LDU
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BU of 6ldu by Molmil
Crystal structure of CeCht1, a nematode I family chitinase from C. elegans
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Probable endochitinase
著者Chen, Q, Yang, Q, Zhou, Y.
登録日2019-11-23
公開日2021-05-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Crystal structure of CeCht1, a nematode I family chitinase from C. elegans
To Be Published
6LE7
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BU of 6le7 by Molmil
Crystal structure of nematode family I chitinase,CeCht1, in complex with dihydropyrrolopyrazol-6-one derivate 2
分子名称: (4R)-3-(2-hydroxyphenyl)-4-(3-methoxy-4-propoxy-phenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one, Probable endochitinase
著者Chen, Q, Yang, Q, Zhou, Y.
登録日2019-11-24
公開日2021-05-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85753441 Å)
主引用文献Crystal structure of nematode family I chitinase,CeCht1, in complex with dihydropyrrolopyrazol-6-one derivate 2
To Be Published
3RXF
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BU of 3rxf by Molmil
Crystal structure of Trypsin complexed with 4-aminopyridine
分子名称: 4-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXG
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BU of 3rxg by Molmil
Crystal structure of Trypsin complexed with 4-aminocyclohexanol
分子名称: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXT
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BU of 3rxt by Molmil
Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamin (F04 and F03, cocktail experiment)
分子名称: 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011

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