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5I79
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Crystal structure of a beta-1,4-endoglucanase mutant from Aspergillus niger in complex with sugar
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Endo-beta-1, ...
著者Liu, W.D, Yan, J.J, Li, Y.J, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2016-02-17
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Functional and structural analysis of Pichia pastoris-expressed Aspergillus niger 1,4-beta-endoglucanase
Biochem. Biophys. Res. Commun., 475, 2016
4FZ6
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BU of 4fz6 by Molmil
Crystal structure of spleen tyrosine kinase complexed with [6-((S)-2-Methyl-pyrrolidin-1-yl)-pyridin-2-yl]-(6-phenyl-imidazo[1,2-b]pyridazin-8-yl)-amine
分子名称: N-{6-[(2S)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Slade, M.
登録日2012-07-06
公開日2013-01-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Rational design of highly selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 55, 2012
4FYN
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BU of 4fyn by Molmil
Crystal structure of spleen tyrosine kinase complexed with 3-(8-{4-[Ethyl-(2-hydroxy-ethyl)-amino]-phenylamino}-imidazo[1,2-a]pyrazin-5-yl)-phenol
分子名称: 3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Villasenor, A.G.
登録日2012-07-05
公開日2013-01-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.318 Å)
主引用文献Rational design of highly selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 55, 2012
4G1N
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BU of 4g1n by Molmil
PKM2 in complex with an activator
分子名称: MAGNESIUM ION, N-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide, OXALATE ION, ...
著者Kung, C, Hixon, J, Dang, L, DeLaBarre, B, Qian, K.C.
登録日2012-07-10
公開日2012-10-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Small Molecule Activation of PKM2 in Cancer Cells Induces Serine Auxotrophy.
Chem.Biol., 19, 2012
4I0S
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BU of 4i0s by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(6-Chloro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
分子名称: 2-(6-chloro-1-methyl-1H-indazol-3-yl)-N-(propan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Slade, M.
登録日2012-11-19
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
4I0R
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BU of 4i0r by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(3,4,5-Trimethoxy-phenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
分子名称: N-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Villasenor, A.G.
登録日2012-11-19
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
4I0T
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Crystal structure of spleen tyrosine kinase complexed with 2-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide
分子名称: N-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Slade, M.
登録日2012-11-19
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
8H8Y
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BU of 8h8y by Molmil
Crystal structure of AbHheG from Acidimicrobiia bacterium
分子名称: GLYCEROL, alpha/beta hydrolase
著者Zhou, C.H, Chen, X, Han, X, Liu, W.D, Wu, Q.Q, Zhu, D.M, Ma, Y.H.
登録日2022-10-24
公開日2023-08-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Flipping the Substrate Creates a Highly Selective Halohydrin Dehalogenase for the Synthesis of Chiral 4-Aryl-2-oxazolidinones from Readily Available Epoxides
Acs Catalysis, 13, 2023
8HQP
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BU of 8hqp by Molmil
Crystal structure of AbHheG mutant from Acidimicrobiia bacterium
分子名称: AbHheG_m
著者Zhou, C.H, Chen, X, Han, X, Liu, W.D, Wu, Q.Q, Zhu, D.M, Ma, Y.H.
登録日2022-12-13
公開日2023-08-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Flipping the Substrate Creates a Highly Selective Halohydrin Dehalogenase for the Synthesis of Chiral 4-Aryl-2-oxazolidinones from Readily Available Epoxides
Acs Catalysis, 13, 2023
7D8T
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BU of 7d8t by Molmil
MITF bHLHLZ complex with M-box DNA
分子名称: DNA (5'-D(*TP*GP*TP*AP*AP*CP*AP*TP*GP*TP*GP*TP*CP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*AP*CP*AP*CP*AP*TP*GP*TP*TP*AP*CP*AP*G)-3'), Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit
著者Guo, M, Fang, P, Wang, J.
登録日2020-10-09
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.201 Å)
主引用文献A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
7D8S
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BU of 7d8s by Molmil
MITF bHLHLZ apo structure
分子名称: Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit, SULFATE ION
著者Guo, M, Fang, P, Wang, J.
登録日2020-10-09
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
7D8R
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BU of 7d8r by Molmil
MITF HLHLZ structure
分子名称: Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit
著者Guo, M, Fang, P, Wang, J.
登録日2020-10-09
公開日2021-10-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
5UC4
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BU of 5uc4 by Molmil
Hsp90b N-terminal domain with inhibitors
分子名称: 5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Deng, J, Peng, S, Balch, M, Matts, R.
登録日2016-12-21
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
7W6C
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BU of 7w6c by Molmil
Crystal structure of a PSH1 in complex with ligand J1K
分子名称: 4-(2-hydroxyethylcarbamoyl)benzoic acid, PSH1
著者Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D.
登録日2021-12-01
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
7W69
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BU of 7w69 by Molmil
Crystal structure of a PSH1 mutant in complex with EDO
分子名称: 1,2-ETHANEDIOL, PSH1
著者Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D.
登録日2021-12-01
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
7W6O
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BU of 7w6o by Molmil
Crystal structure of a PSH1 in complex with J1K
分子名称: 4-(2-hydroxyethylcarbamoyl)benzoic acid, PSH1
著者Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D.
登録日2021-12-02
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
7W66
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BU of 7w66 by Molmil
Crystal structure of a PSH1 mutant in complex with ligand
分子名称: PSH1, bis(2-hydroxyethyl) benzene-1,4-dicarboxylate
著者Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D.
登録日2021-12-01
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
7W6Q
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BU of 7w6q by Molmil
Crystal structure of a PSH1 in complex with ligand J1K
分子名称: 4-(2-hydroxyethylcarbamoyl)benzoic acid, PSH1
著者Gao, J, Lara, P, Li, Z.S, Han, X, Wei, R, Liu, W.D.
登録日2021-12-02
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase.
Acs Catalysis, 12, 2022
5UCI
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BU of 5uci by Molmil
Hsp90b N-terminal domain with inhibitors
分子名称: (2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Peng, S, Balch, M, Matts, R, Deng, J.
登録日2016-12-22
公開日2018-01-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
5UCJ
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BU of 5ucj by Molmil
Hsp90b N-terminal domain with inhibitors
分子名称: (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-beta
著者Peng, S, Balch, M, Matts, R, Deng, J.
登録日2016-12-22
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.693 Å)
主引用文献Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
5UCH
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BU of 5uch by Molmil
Hsp90b N-terminal domain with inhibitors
分子名称: 2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Peng, S, Balch, M, Matts, R, Deng, J.
登録日2016-12-22
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.654 Å)
主引用文献Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
7LAW
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BU of 7law by Molmil
crystal structure of GITR complex with GITR-L
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18
著者Longenecker, K.L, Rogers, B, Bigelow, L, Judge, R.A, Alvarez, H.
登録日2021-01-07
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.752 Å)
主引用文献An anti-PD-1-GITR-L bispecific agonist induces GITR clustering-mediated T cell activation for cancer immunotherapy.
Nat Cancer, 3, 2022
7XKS
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BU of 7xks by Molmil
Crystal structure of an alkaline pectate lyase from Bacillus clausii
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Pectate lyase
著者Zhou, C, Zheng, Y.Y, Liu, W.D, Ma, Y.
登録日2022-04-20
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure of an Alkaline Pectate Lyase and Rational Engineering with Improved Thermo-Alkaline Stability for Efficient Ramie Degumming.
Int J Mol Sci, 24, 2022
7Y8L
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BU of 7y8l by Molmil
Structure of ScIRED-R2-V3 from Streptomyces clavuligerus in complex with 5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
分子名称: 5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T.
登録日2022-06-24
公開日2023-06-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Engineered Imine Reductase for Larotrectinib Intermediate Manufacture
Acs Catalysis, 12, 2022
7Y8K
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Structure of ScIRED wild-type from Streptomyces clavuligerus
分子名称: Beta-hydroxyacid dehydrogenase, 3-hydroxyisobutyrate dehydrogenase
著者Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T.
登録日2022-06-24
公開日2023-03-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Engineered Imine Reductase for Larotrectinib Intermediate Manufacture
Acs Catalysis, 12, 2022

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