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7VE7
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BU of 7ve7 by Molmil
Crystal structure of KRED mutant-F147L/L153Q/Y190P/L199A/M205F/M206F
分子名称: 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J.
登録日2021-09-08
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.720007 Å)
主引用文献Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
7VDO
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BU of 7vdo by Molmil
Crystal structure of KRED F147L/L153Q/Y190P variant
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, ...
著者Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J.
登録日2021-09-07
公開日2022-05-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85571563 Å)
主引用文献Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
4XBX
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BU of 4xbx by Molmil
Crystal Structure of the L74F/M78F/L103V/L114V/I116V/F139V/L147V mutant of LEH
分子名称: Limonene-1,2-epoxide hydrolase
著者Kong, X.D, Sun, Z, Xu, J.H, Reetz, M.T, Zhou, J.
登録日2014-12-17
公開日2015-07-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
4XBT
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BU of 4xbt by Molmil
Crystal Structure of the L74F/M78F/L103V/L114V/I116V/F139V/L147V mutant of LEH complexed with (S,S)-cyclohexanediol
分子名称: (1S,2S)-cyclohexane-1,2-diol, CITRATE ANION, Limonene-1,2-epoxide hydrolase
著者Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J.
登録日2014-12-17
公開日2015-07-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
4XDV
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BU of 4xdv by Molmil
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclohexanediol
分子名称: (1R,2R)-cyclohexane-1,2-diol, Limonene-1,2-epoxide hydrolase
著者Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J.
登録日2014-12-20
公開日2015-07-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
4XBY
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BU of 4xby by Molmil
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide
分子名称: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase
著者Kong, X.D, Sun, Z, Xu, J.H, Reetz, M.T, Zhou, J.
登録日2014-12-17
公開日2015-07-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
4XDW
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BU of 4xdw by Molmil
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH
分子名称: Limonene-1,2-epoxide hydrolase
著者Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J.
登録日2014-12-20
公開日2015-07-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
7RST
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BU of 7rst by Molmil
The Crystal Structure of Recombinant Chloroperoxidase Expressed in Aspergillus niger
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, Chloroperoxidase, ...
著者Tang, X, Venkadesh, S, Zhou, J, Rosen, B, Wang, X.
登録日2021-08-11
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献The Crystal Structure of Recombinant Chloroperoxidase Expressed in Aspergillus niger
To Be Published
5H2T
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BU of 5h2t by Molmil
Structure of trehalose synthase
分子名称: Trehalose synthase
著者Wang, D, Huang, H, Zhou, J, Jiang, L.
登録日2016-10-18
公開日2017-10-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.796 Å)
主引用文献Structure of trehalose synthase
To Be Published
5HNI
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BU of 5hni by Molmil
CRYSTAL STRUCTURE OF CMET WT with compound 3
分子名称: Hepatocyte growth factor receptor, methyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1H-benzimidazol-2-yl)carbamate
著者Vallee, F, Houtmann, J.
登録日2016-01-18
公開日2016-11-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844).
J.Med.Chem., 59, 2016
5HO6
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BU of 5ho6 by Molmil
CRYSTAL STRUCTURE OF CMET IN COMPLEX WITH CMPD.
分子名称: 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea, Hepatocyte growth factor receptor
著者Vallee, F, Houtmann, J.
登録日2016-01-19
公開日2016-11-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844).
J.Med.Chem., 59, 2016
5HOR
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BU of 5hor by Molmil
Crystal structure of c-Met-M1250T in complex with SAR125844.
分子名称: 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea, Hepatocyte growth factor receptor
著者Vallee, F, Houtmann, J, Marquette, J.-P.
登録日2016-01-19
公開日2016-11-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844).
J.Med.Chem., 59, 2016
5HSI
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BU of 5hsi by Molmil
Crystal structure of tyrosine decarboxylase at 1.73 Angstroms resolution
分子名称: MAGNESIUM ION, Putative decarboxylase
著者Ni, Y, Zhou, J, Zhu, H, Zhang, K.
登録日2016-01-25
公開日2016-09-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.732 Å)
主引用文献Crystal structure of tyrosine decarboxylase and identification of key residues involved in conformational swing and substrate binding
Sci Rep, 6, 2016
5HLW
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BU of 5hlw by Molmil
Crystal structure of c-Met mutant Y1230H in complex with compound 14
分子名称: 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea, CHLORIDE ION, Hepatocyte growth factor receptor
著者Vallee, F, Pouzieux, S, Marquette, J.P, Houtmann, J.
登録日2016-01-15
公開日2016-11-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844).
J.Med.Chem., 59, 2016
5H5X
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BU of 5h5x by Molmil
Crystal structure of NADH bound carbonyl reductase from Streptomyces coelicolor
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ISOPROPYL ALCOHOL, MAGNESIUM ION, ...
著者Kong, X.-D, Xu, J.-H, Zhou, J.
登録日2016-11-10
公開日2017-05-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of NADH bound carbonyl reductase from Streptomyces coelicolor
To Be Published
4JFG
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BU of 4jfg by Molmil
Crystal structure of sfGFP-66-HqAla
分子名称: CESIUM ION, Green fluorescent protein, quinolin-8-ol
著者Wang, J, Liu, X, Li, J, Zhang, W, Hu, M, Zhou, J.
登録日2013-02-28
公開日2013-10-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献Significant expansion of the fluorescent protein chromophore through the genetic incorporation of a metal-chelating unnatural amino acid.
Angew.Chem.Int.Ed.Engl., 52, 2013
8JLV
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BU of 8jlv by Molmil
Beneficial flip of substrate orientation enable determine substrate specificity for zearalenone lactone hydrolase
分子名称: AB hydrolase-1 domain-containing protein
著者Xiang, L, Wang, M, Zhang, G, Zhou, J.
登録日2023-06-02
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.998636 Å)
主引用文献Enhancing the activity of zearalenone lactone hydrolase toward the more toxic alpha-zearalanol via a single-point mutation.
Appl.Environ.Microbiol., 90, 2024
8JN0
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BU of 8jn0 by Molmil
N/F domain of alkaline amylase Amy703
分子名称: Alpha-amylase
著者Xiang, L, Zhang, G, Zhou, J.
登録日2023-06-05
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.22826374 Å)
主引用文献Truncation of N-terminus domain of alkaline a-amylase to form a unique dimer leads to improved activity and stability and decreased calcium ion dependence
To Be Published
8JNX
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BU of 8jnx by Molmil
alkaline amylase Amy703 with truncated of N-terminus domain
分子名称: Alpha-amylase, CALCIUM ION
著者Xiang, L, Zhang, G, Zhou, J.
登録日2023-06-06
公開日2023-12-13
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.20279884 Å)
主引用文献N-terminal domain truncation yielded a unique dimer of polysaccharide hydrolase with enhanced enzymatic activity, stability and calcium ion independence.
Int.J.Biol.Macromol., 266, 2024
5KPC
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BU of 5kpc by Molmil
Pavine N-methyltransferase H206A mutant in complex with S-adenosylmethionine pH 6
分子名称: Pavine N-methyltransferase, S-ADENOSYLMETHIONINE
著者Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S.
登録日2016-07-03
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
5KN4
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BU of 5kn4 by Molmil
Pavine N-methyltransferase apoenzyme pH 6.0
分子名称: Pavine N-methyltransferase
著者Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S.
登録日2016-06-27
公開日2016-09-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
5KPG
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BU of 5kpg by Molmil
Pavine N-methyltransferase in complex with S-adenosylhomocysteine pH 7
分子名称: Pavine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S.
登録日2016-07-04
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
8JNY
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BU of 8jny by Molmil
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor
分子名称: 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide, Poly [ADP-ribose] polymerase 2
著者Wang, X.Y, Wang, C.Y, Zhou, J, Xu, B.L.
登録日2023-06-06
公開日2024-06-12
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor
To Be Published
8JNZ
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BU of 8jnz by Molmil
Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor
分子名称: 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide, Poly [ADP-ribose] polymerase 1, processed C-terminus, ...
著者Wang, X.Y, Wang, C.Y, Zhou, J, Xu, B.L.
登録日2023-06-06
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor
To Be Published
7VA1
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BU of 7va1 by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with GDD-04-35
分子名称: 4-[(3-ethanoylphenyl)sulfamoyl]-~{N}-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide, D-3-phosphoglycerate dehydrogenase
著者Cen, Y, Gao, D, Zhou, J, Tian, P.
登録日2021-08-27
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with GDD-04-35
To Be Published

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