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7UJX
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BU of 7ujx by Molmil
Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 2.4 Angstrom data
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Wych, D.C, Aoto, P.C, Wall, M.E.
登録日2022-03-31
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular-dynamics simulation methods for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
6L21
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BU of 6l21 by Molmil
Crystal structure of CK2a1 H160A with hematein
分子名称: (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, Casein kinase II subunit alpha
著者Tsuyuguchi, M, Kinoshita, T.
登録日2019-10-02
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05451775 Å)
主引用文献Structural insights for producing CK2 alpha 1-specific inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
5VI9
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BU of 5vi9 by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors
分子名称: N-[(3-fluorophenyl)methyl]-6-(pyridin-4-yl)-1,3-benzothiazol-2-amine, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
著者Judge, R.A.
登録日2017-04-14
公開日2018-01-31
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
6L39
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BU of 6l39 by Molmil
Cytochrome P450 107G1 (RapN)
分子名称: Cytochrome P450, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
著者Kim, V.C, Kim, D.H, Lim, Y.R, Lee, I.H, Lee, J.H, Kang, L.W.
登録日2019-10-10
公開日2020-09-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Structural insights into CYP107G1 from rapamycin-producing Streptomyces rapamycinicus.
Arch.Biochem.Biophys., 692, 2020
6A8R
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BU of 6a8r by Molmil
Crystal structure of DUX4 HD2 domain associated with ERG DNA binding site
分子名称: DNA (5'-D(P*AP*AP*TP*CP*TP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*TP*GP*AP*TP*GP*AP*GP*AP*TP*T)-3'), Double homeobox protein 4
著者Dong, X, Zhang, H, Cheng, N, Meng, G.
登録日2018-07-10
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献DUX4HD2-DNAERGstructure reveals new insight into DUX4-Responsive-Element.
Leukemia, 33, 2019
6CG7
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BU of 6cg7 by Molmil
mouse cadherin-22 EC1-2 adhesive fragment
分子名称: CALCIUM ION, Cadherin-22
著者Brasch, J, Harrison, O.J, Shapiro, L.
登録日2018-02-19
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献Homophilic and Heterophilic Interactions of Type II Cadherins Identify Specificity Groups Underlying Cell-Adhesive Behavior.
Cell Rep, 23, 2018
6L3V
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BU of 6l3v by Molmil
The R15G mutant of human Cx31.3/GJC3 connexin hemichannel
分子名称: Gap junction gamma-3 protein, Lauryl Maltose Neopentyl Glycol
著者Lee, H.J, Jeong, H, Ryu, B, Hyun, J, Woo, J.S.
登録日2019-10-15
公開日2020-09-09
最終更新日2020-10-14
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献Cryo-EM structure of human Cx31.3/GJC3 connexin hemichannel.
Sci Adv, 6, 2020
6A9P
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BU of 6a9p by Molmil
Crystal structure of the human glial fibrillary acidic protein 1B domain
分子名称: Glial fibrillary acidic protein
著者Jin, M.S, Kim, B, Kim, S.
登録日2018-07-14
公開日2018-09-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Crystal structure of the human glial fibrillary acidic protein 1B domain
Biochem.Biophys.Res.Commun., 503, 2018
6AD5
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BU of 6ad5 by Molmil
Crystal Structure of HEWL in complex with TEMED (in the aroma form) after 24 hours under fibrillation conditions
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Seraj, Z, Seyedarabi, A.
登録日2018-07-30
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The aroma of TEMED as an activation and stabilizing signal for the antibacterial enzyme HEWL.
Plos One, 15, 2020
5VLX
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BU of 5vlx by Molmil
Dehaloperoxidase B mutant F21W
分子名称: Dehaloperoxidase B, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Carey, L.M, Ghiladi, R.A.
登録日2017-04-26
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Selective tuning of activity in a multifunctional enzyme as revealed in the F21W mutant of dehaloperoxidase B from Amphitrite ornata.
J. Biol. Inorg. Chem., 23, 2018
7V0G
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BU of 7v0g by Molmil
Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 1.63 Angstrom data
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Wych, D.C, Aoto, P.C, Wall, M.E.
登録日2022-05-10
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Molecular-dynamics simulation methods for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
5VFH
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BU of 5vfh by Molmil
Crystal structure of BnSP-7 from Bothrops pauloensis complexed to sulfates
分子名称: Basic phospholipase A2 homolog BnSP-7, SULFATE ION
著者De Lima, L.F, Fontes, M.R.M.
登録日2017-04-07
公開日2017-12-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.592 Å)
主引用文献Structural studies with BnSP-7 reveal an atypical oligomeric conformation compared to phospholipases A2-like toxins.
Biochimie, 142, 2017
6CGS
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BU of 6cgs by Molmil
mouse cadherin-7 EC1-2 adhesive fragment
分子名称: CALCIUM ION, Cadherin-7, GLYCEROL
著者Brasch, J, Harrison, O.J, Kaczynska, A, Shapiro, L.
登録日2018-02-20
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Homophilic and Heterophilic Interactions of Type II Cadherins Identify Specificity Groups Underlying Cell-Adhesive Behavior.
Cell Rep, 23, 2018
8G3V
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BU of 8g3v by Molmil
N2 neuraminidase of A/Hong_Kong/2671/2019 in complex with 4 FNI19 Fab molecules
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, CALCIUM ION, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (2.21 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
6AE3
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BU of 6ae3 by Molmil
Crystal structure of GSK3beta complexed with Morin
分子名称: 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, GLYCEROL, Glycogen synthase kinase-3 beta
著者Kim, K.L, Cha, J.S, Kim, J.S, Ahn, J.S, Ha, N.C, Cho, H.S.
登録日2018-08-03
公開日2018-09-19
最終更新日2018-10-03
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structure of GSK3 beta in complex with the flavonoid, morin
Biochem. Biophys. Res. Commun., 504, 2018
6ADF
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BU of 6adf by Molmil
Structure of HEWL co-crystallised with TEMED
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
著者Seyedarabi, A, Seraj, Z.
登録日2018-07-31
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献The aroma of TEMED as an activation and stabilizing signal for the antibacterial enzyme HEWL.
Plos One, 15, 2020
8G3Z
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BU of 8g3z by Molmil
Neuraminidase of B/Massachusetts/02/2012 (Yamagata) in complex with 4 FNI17 Fab molecules
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FNI17 Fab heavy chain, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
6CHI
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BU of 6chi by Molmil
Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 amide
分子名称: 3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E.
登録日2018-02-22
公開日2018-06-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2.
J. Med. Chem., 61, 2018
6L20
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BU of 6l20 by Molmil
Crystal structure of CK2a2 with hematein
分子名称: (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, CHLORIDE ION, Casein kinase II subunit alpha'
著者Tsuyuguchi, M, Kinoshita, T.
登録日2019-10-02
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.08735132 Å)
主引用文献Structural insights for producing CK2 alpha 1-specific inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6CFM
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BU of 6cfm by Molmil
Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor
分子名称: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, CHLORIDE ION, GLYCEROL, ...
著者Counago, R.M, dos Reis, C.V, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
登録日2018-02-15
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor
To Be Published
6L5Y
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BU of 6l5y by Molmil
Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 140 K: Light (2 min)
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A.
登録日2019-10-24
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
5WDO
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BU of 5wdo by Molmil
H-Ras bound to GMP-PNP at 277K
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Cofsky, J.C, Bandaru, P, Gee, C.L, Kuriyan, J.
登録日2017-07-05
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
4NFE
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BU of 4nfe by Molmil
Human kallikrein-related peptidase 2 in complex with benzamidine
分子名称: BENZAMIDINE, Kallikrein-2, SULFATE ION
著者Skala, W, Brandstetter, H, Magdolen, V, Goettig, P.
登録日2013-10-31
公開日2014-10-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-function analyses of human kallikrein-related peptidase 2 establish the 99-loop as master regulator of activity
J.Biol.Chem., 289, 2014
5WDM
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BU of 5wdm by Molmil
An ultra-stable single-chain insulin analog resists thermal inactivation and exhibits biological signaling duration equivalent to the native protein
分子名称: Single-chain insulin analog
著者Yee, V.C, Aldabbagh, K, Peng, Y.
登録日2017-07-05
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献An ultra-stable single-chain insulin analog resists thermal inactivation and exhibits biological signaling duration equivalent to the native protein.
J. Biol. Chem., 293, 2018
5ZUH
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BU of 5zuh by Molmil
Solution structure of RRM domain of La protein from Trypanosoma brucei
分子名称: RNA binding protein La-like protein
著者Shan, F.Z.
登録日2018-05-07
公開日2019-05-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A telomerase subunit homolog La protein from Trypanosoma brucei plays an essential role in ribosomal biogenesis.
Febs J., 286, 2019

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