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8JWK
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BU of 8jwk by Molmil
The second purified state crystal structure of AKRtyl
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Lin, S, Dai, S, Xiao, Z.
登録日2023-06-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
8JWM
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BU of 8jwm by Molmil
Crystal structure of AKRtyl-NADP-tylosin complex
分子名称: Aldo/keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TYLOSIN
著者Lin, S, Dai, S, Xiao, Z.
登録日2023-06-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
2JW8
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BU of 2jw8 by Molmil
Solution structure of stereo-array isotope labelled (SAIL) C-terminal dimerization domain of SARS coronavirus nucleocapsid protein
分子名称: Nucleocapsid protein
著者Takeda, M, Chang, C, Ikeya, T, Guntert, P, Chang, Y, Hsu, Y, Huang, T, Kainosho, M.
登録日2007-10-06
公開日2008-08-26
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the c-terminal dimerization domain of SARS coronavirus nucleocapsid protein solved by the SAIL-NMR method
J.Mol.Biol., 380, 2008
4LAD
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BU of 4lad by Molmil
Crystal Structure of the Ube2g2:RING-G2BR complex
分子名称: E3 ubiquitin-protein ligase AMFR, OXALATE ION, Ubiquitin-conjugating enzyme E2 G2, ...
著者Liang, Y.-H, Li, J, Das, R, Byrd, R.A, Ji, X.
登録日2013-06-19
公開日2013-08-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Allosteric regulation of E2:E3 interactions promote a processive ubiquitination machine.
Embo J., 32, 2013
8HB9
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BU of 8hb9 by Molmil
Crystal Structure of Human IDH1 R132H Mutant in Complex with NADPH and Compound IHMT-IDH1-053
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
著者Guo, G, Wang, B, Liu, J, Liu, Q.
登録日2022-10-27
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based discovery of IHMT-IDH1-053 as a potent irreversible IDH1 mutant selective inhibitor.
Eur.J.Med.Chem., 256, 2023
3OCT
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BU of 3oct by Molmil
Crystal structure of bruton's tyrosine kinase mutant V555R in complex with dasatinib
分子名称: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Tyrosine-protein kinase BTK
著者Davies, D.R, Staker, B.L.
登録日2010-08-10
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A novel, specific Btk inhibitor antagonizes BCR and Fc[gamma]R signaling and suppresses inflammatory arthritis
To be Published
3P08
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BU of 3p08 by Molmil
Crystal structure of the human BTK kinase domain
分子名称: Tyrosine-protein kinase BTK
著者Yu, C.L, Hymowitz, S.G.
登録日2010-09-27
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A novel, specific BTK inhibitor antagonizes BCR and FcgR signaling and suppresses inflammatory arthritis
To be Published
3OCS
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BU of 3ocs by Molmil
Crystal structure of bruton's tyrosine kinase in complex with inhibitor CGI1746
分子名称: 4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide, BETA-MERCAPTOETHANOL, SULFATE ION, ...
著者Davies, D.R, Gallion, S.L, Staker, B.L.
登録日2010-08-10
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A novel, specific Btk inhibitor antagonizes BCR and Fc[gamma]R signaling and suppresses inflammatory arthritis
To be Published
3KFD
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BU of 3kfd by Molmil
Ternary complex of TGF-b1 reveals isoform-specific ligand recognition and receptor recruitment in the superfamily
分子名称: TGF-beta receptor type-1, TGF-beta receptor type-2, Transforming growth factor beta-1
著者Radaev, S, Sun, P.D.
登録日2009-10-27
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.995 Å)
主引用文献Ternary complex of transforming growth factor-beta1 reveals isoform-specific ligand recognition and receptor recruitment in the superfamily.
J.Biol.Chem., 285, 2010
7JV9
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BU of 7jv9 by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with compound 12
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-nucleotidase, 6-chloro-N-[(2-chlorophenyl)methyl]-1-[5-O-(phosphonomethyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ...
著者Gibbons, P, Du, X.
登録日2020-08-20
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production.
J.Med.Chem., 63, 2020
7JV8
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BU of 7jv8 by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with compound 35
分子名称: 5'-nucleotidase, 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, ...
著者Gibbons, P, Du, X.
登録日2020-08-20
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production.
J.Med.Chem., 63, 2020
6K7O
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BU of 6k7o by Molmil
Complex structure of LILRB4 and h128-3 antibody
分子名称: Leukocyte immunoglobulin-like receptor subfamily B member 4, h128-3 Fab heavy chain, h128-3 Fab light chain
著者Song, H, Chai, Y, Xu, X, Gao, F.G.
登録日2019-06-08
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.004 Å)
主引用文献Disrupting LILRB4/APOE Interaction by an Efficacious Humanized Antibody Reverses T-cell Suppression and Blocks AML Development.
Cancer Immunol Res, 7, 2019
5VYF
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BU of 5vyf by Molmil
Structure of single chain Fel d 1 bound to a neutralizing antibody
分子名称: Antibody Fab heavy chain, Antibody light chain, CALCIUM ION, ...
著者Franklin, M.C.
登録日2017-05-25
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Treating cat allergy with monoclonal IgG antibodies that bind allergen and prevent IgE engagement.
Nat Commun, 9, 2018
5GV1
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BU of 5gv1 by Molmil
Crystal structure of ENZbleach xylanase wild type
分子名称: Endo-1,4-beta-xylanase
著者Chitnumsub, P, Jaruwat, A, Boonyapakorn, K, Noytanom, K.
登録日2016-09-01
公開日2017-08-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based protein engineering for thermostable and alkaliphilic enhancement of endo-beta-1,4-xylanase for applications in pulp bleaching
J. Biotechnol., 259, 2017
5GYB
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BU of 5gyb by Molmil
Crystal structure of ENZbleach xylanase V5N+V6N+K7R+K223R+K227R and T28C+T60C mutant
分子名称: Endo-1,4-beta-xylanase
著者Chitnumsub, P, Jaruwat, A, Boonyapakorn, K.
登録日2016-09-22
公開日2017-08-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-based protein engineering for thermostable and alkaliphilic enhancement of endo-beta-1,4-xylanase for applications in pulp bleaching
J. Biotechnol., 259, 2017
5GYE
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BU of 5gye by Molmil
Crystal structure of ENZbleach xylanase T28C+T60C and T77C+E249C mutant
分子名称: Endo-1,4-beta-xylanase
著者Chitnumsub, P, Jaruwat, A, Boonyapakorn, K.
登録日2016-09-22
公開日2017-08-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based protein engineering for thermostable and alkaliphilic enhancement of endo-beta-1,4-xylanase for applications in pulp bleaching
J. Biotechnol., 259, 2017
5GYI
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BU of 5gyi by Molmil
Crystal structure of ENZbleach xylanase V176C+E220C mutant
分子名称: Endo-1,4-beta-xylanase
著者Chitnumsub, P, Jaruwat, A, Boonyapakorn, K.
登録日2016-09-22
公開日2017-08-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure-based protein engineering for thermostable and alkaliphilic enhancement of endo-beta-1,4-xylanase for applications in pulp bleaching
J. Biotechnol., 259, 2017
5GY9
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BU of 5gy9 by Molmil
Crystal structure of ENZbleach xylanase A74C+G84C mutant
分子名称: Endo-1,4-beta-xylanase
著者Chitnumsub, P, Jaruwat, A, Boonyapakorn, K.
登録日2016-09-22
公開日2017-08-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structure-based protein engineering for thermostable and alkaliphilic enhancement of endo-beta-1,4-xylanase for applications in pulp bleaching
J. Biotechnol., 259, 2017
5GYF
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BU of 5gyf by Molmil
Crystal structure of ENZbleach xylanase T28C+T60C+L59F mutant
分子名称: Endo-1,4-beta-xylanase
著者Chitnumsub, P, Jaruwat, A, Boonyapakorn, K.
登録日2016-09-22
公開日2017-08-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structure-based protein engineering for thermostable and alkaliphilic enhancement of endo-beta-1,4-xylanase for applications in pulp bleaching
J. Biotechnol., 259, 2017
6M6O
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BU of 6m6o by Molmil
NMR SOLUTION STRUCTURE OF A C-FLIPs
分子名称: CASP8 and FADD-like apoptosis regulator
著者Bai, Z.Q, Hu, K.F.
登録日2020-03-16
公開日2021-03-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of c-FLIP death effector domains.
Biochem.Biophys.Res.Commun., 617, 2022
6J4B
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BU of 6j4b by Molmil
Crystal structure of MarH, an epimerase for biosynthesis of Maremycins in Streptomyces, under 400 mM Zinc acetate
分子名称: ACETIC ACID, Cupin superfamily protein, GLYCEROL, ...
著者Hou, Y, Liu, B, Hu, K, Zhang, R.
登録日2019-01-08
公開日2020-01-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural basis of the mechanism of beta-methyl epimerization by enzyme MarH.
Org.Biomol.Chem., 17, 2019
7XMX
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BU of 7xmx by Molmil
Cryo-EM structure of SARS-CoV-2 spike glycoprotein in complex with three F61 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, F61 heavy chain, F61 light chain, ...
著者Wang, X, Li, X.
登録日2022-04-27
公開日2022-11-23
実験手法ELECTRON MICROSCOPY (3.62 Å)
主引用文献Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages.
Cell Discov, 8, 2022
7XMZ
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BU of 7xmz by Molmil
Cryo-EM structure of SARS-CoV-2 spike glycoprotein in complex with three D2 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D2 heavy chain, D2 light chain, ...
著者Wang, X, Li, X.
登録日2022-04-27
公開日2022-11-23
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages.
Cell Discov, 8, 2022
2MVW
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BU of 2mvw by Molmil
Solution structure of the TRIM19 B-box1 (B1) of human promyelocytic leukemia (PML)
分子名称: Protein PML, ZINC ION
著者Huang, S, Naik, M.T, Fan, P, Wang, Y, Chang, C, Huang, T.
登録日2014-10-17
公開日2014-11-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The B-box 1 dimer of human promyelocytic leukemia protein.
J.Biomol.Nmr, 60, 2014
7XST
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BU of 7xst by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike glycoprotein in complex with three F61 Fab and three D2 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D2 heavy chain, D2 light chain, ...
著者Wang, X, Li, X.
登録日2022-05-15
公開日2022-11-23
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structural basis of a two-antibody cocktail exhibiting highly potent and broadly neutralizing activities against SARS-CoV-2 variants including diverse Omicron sublineages.
Cell Discov, 8, 2022

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