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7E12
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BU of 7e12 by Molmil
Crystal structure of PKAc-A11E complex
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, THR-ARG-SER-GLU-ILE-ARG-ARG-ALA-SER-THR-ILE-GLU, ...
著者Qin, J, Lin, L, Yuchi, Z.
登録日2021-01-28
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.796 Å)
主引用文献Structures of PKA-phospholamban complexes reveal a mechanism of familial dilated cardiomyopathy.
Elife, 11, 2022
7E11
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BU of 7e11 by Molmil
Crystal structure of PKAc-PLN R9C complex
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PLN, ...
著者Qin, J, Lin, L, Yuchi, Z.
登録日2021-01-28
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.43 Å)
主引用文献Structures of PKA-phospholamban complexes reveal a mechanism of familial dilated cardiomyopathy.
Elife, 11, 2022
5BZX
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BU of 5bzx by Molmil
Crystal structure of human phosphatase PTEN treated with a bisperoxovanadium complex
分子名称: L(+)-TARTARIC ACID, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, VANADATE ION
著者Lee, C.-U, Bier, D, Hennig, S, Grossmann, T.N.
登録日2015-06-11
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Redox Modulation of PTEN Phosphatase Activity by Hydrogen Peroxide and Bisperoxidovanadium Complexes.
Angew.Chem.Int.Ed.Engl., 54, 2015
5YJH
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BU of 5yjh by Molmil
Structural insights into periostin functions
分子名称: CALCIUM ION, CHLORIDE ION, MAGNESIUM ION, ...
著者Liu, H, Liu, J, Xu, F.
登録日2017-10-10
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.957 Å)
主引用文献Structural characterizations of human periostin dimerization and cysteinylation.
FEBS Lett., 592, 2018
7KOV
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BU of 7kov by Molmil
Crystal structure of Azotobacter vinelandii 3-mercaptopropionic acid dioxygenase in complex with thiocyanate
分子名称: CHLORIDE ION, Cysteine dioxygenase type I protein, FE (III) ION, ...
著者Kiser, P.D.
登録日2020-11-10
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure of 3-mercaptopropionic acid dioxygenase with a substrate analog reveals bidentate substrate binding at the iron center.
J.Biol.Chem., 296, 2021
3F0D
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BU of 3f0d by Molmil
High resolution crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphatase synthase from Burkholderia pseudomallei
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ZINC ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-10-24
公開日2008-11-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
7KM5
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BU of 7km5 by Molmil
Crystal structure of SARS-CoV-2 RBD complexed with Nanosota-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Spike protein S1, ...
著者Ye, G, Shi, K, Aihara, H, Li, F.
登録日2020-11-02
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献The development of Nanosota - 1 as anti-SARS-CoV-2 nanobody drug candidates.
Elife, 10, 2021
6JKK
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BU of 6jkk by Molmil
Crystal structure of BubR1 kinase domain
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Mitotic checkpoint control protein kinase BUB1
著者Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X.
登録日2019-03-01
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019
7F7E
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BU of 7f7e by Molmil
SARS-CoV-2 S protein RBD in complex with A5-10 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of A5-10 Fab, Light chain of A5-10 Fab, ...
著者Dou, Y, Wang, X, Wang, K, Liu, P, Lu, B.
登録日2021-06-29
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Etesevimab in combination with JS026 neutralizing SARS-CoV-2 and its variants.
Emerg Microbes Infect, 11, 2022
3F0E
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BU of 3f0e by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, MAGNESIUM ION, ZINC ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-10-24
公開日2008-11-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
5BZZ
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BU of 5bzz by Molmil
Crystal structure of human phosphatase PTEN in its reduced state
分子名称: L(+)-TARTARIC ACID, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
著者Lee, C.-U, Bier, D, Hennig, S, Grossmann, T.N.
登録日2015-06-11
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Redox Modulation of PTEN Phosphatase Activity by Hydrogen Peroxide and Bisperoxidovanadium Complexes.
Angew.Chem.Int.Ed.Engl., 54, 2015
5YJG
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BU of 5yjg by Molmil
Structural insights into periostin functions
分子名称: CALCIUM ION, CHLORIDE ION, CYSTEINE, ...
著者Liu, H, Liu, J, Xu, F.
登録日2017-10-10
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Structural characterizations of human periostin dimerization and cysteinylation.
FEBS Lett., 592, 2018
7L51
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BU of 7l51 by Molmil
Solution NMR structure of the dimeric form of the cyclic plant protein PDP-23 in H2O
分子名称: Cyclic plant protein PDP-23
著者Payne, C.D, Rosengren, K.J.
登録日2020-12-21
公開日2021-01-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A chameleonic macrocyclic peptide with drug delivery applications.
Chem Sci, 12, 2021
7L53
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BU of 7l53 by Molmil
Solution NMR structure of the monomeric form of the cyclic plant protein PDP-23 in CD3CN/H2O
分子名称: Cyclic plant protein PDP-23
著者Payne, C.D, Rosengren, K.J.
登録日2020-12-21
公開日2021-01-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A chameleonic macrocyclic peptide with drug delivery applications.
Chem Sci, 12, 2021
7L54
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BU of 7l54 by Molmil
Solution NMR structure of the cyclic plant protein PDP-23 in SDS micelles
分子名称: Cyclic plant protein PDP-23
著者Rosengren, K.J, Payne, C.D.
登録日2020-12-21
公開日2021-01-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A chameleonic macrocyclic peptide with drug delivery applications.
Chem Sci, 12, 2021
7L55
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BU of 7l55 by Molmil
Solution NMR structure of the cyclic plant protein PDP-23 in DPC micelles
分子名称: Cyclic plant protein PDP-23
著者Payne, C.D, Rosengren, K.J.
登録日2020-12-21
公開日2021-01-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A chameleonic macrocyclic peptide with drug delivery applications.
Chem Sci, 12, 2021
8SQ9
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BU of 8sq9 by Molmil
SARS-CoV-2 replication-transcription complex bound to nsp9 and UMPCPP, as a pre-catalytic NMPylation intermediate
分子名称: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine, MAGNESIUM ION, Non-structural protein 7, ...
著者Small, G.I, Darst, S.A, Campbell, E.A.
登録日2023-05-04
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural and functional insights into the enzymatic plasticity of the SARS-CoV-2 NiRAN domain.
Mol.Cell, 83, 2023
8SQK
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BU of 8sqk by Molmil
SARS-CoV-2 replication-transcription complex bound to RNA-nsp9 and GDP-betaS, as a pre-catalytic deRNAylation/mRNA capping intermediate
分子名称: 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine, MAGNESIUM ION, Non-structural protein 7, ...
著者Small, G.I, Darst, S.A, Campbell, E.A.
登録日2023-05-04
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Structural and functional insights into the enzymatic plasticity of the SARS-CoV-2 NiRAN domain.
Mol.Cell, 83, 2023
8SQJ
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BU of 8sqj by Molmil
SARS-CoV-2 replication-transcription complex bound to RNA-nsp9, as a noncatalytic RNA-nsp9 binding mode
分子名称: 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine, MAGNESIUM ION, Non-structural protein 7, ...
著者Small, G.I, Darst, S.A, Campbell, E.A.
登録日2023-05-04
公開日2023-11-22
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Structural and functional insights into the enzymatic plasticity of the SARS-CoV-2 NiRAN domain.
Mol.Cell, 83, 2023
5Y0U
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BU of 5y0u by Molmil
The solution structure of AEBP2 C2H2 zinc fingers
分子名称: ZINC ION, Zinc finger protein AEBP2
著者Sun, A, Shi, Y, Wu, J.
登録日2017-07-18
公開日2018-08-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and biochemical insights into human zinc finger protein AEBP2 reveals interactions with RBBP4.
Protein Cell, 9, 2018
5Y4B
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BU of 5y4b by Molmil
Solution structure of yeast Fra2
分子名称: BolA-like protein 2
著者Tang, Y.J, Chi, C.B, Zhang, J.H, Dai, Y.N, Abdalla, M, Chen, Y.X, Zhou, C.Z.
登録日2017-08-03
公開日2018-03-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and Biochemical Insights into the Multiple Functions of Yeast Grx3.
J. Mol. Biol., 430, 2018
7XPQ
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BU of 7xpq by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD/UDP-GlcNAc
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
著者Chen, Y.H, Wang, X.C, Zhang, C.R.
登録日2022-05-05
公開日2023-05-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
7XPO
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BU of 7xpo by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD/UDP-Glc
分子名称: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase, ...
著者Chen, Y.H, Wang, X.C, Zhang, C.R.
登録日2022-05-05
公開日2023-05-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
7XPP
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BU of 7xpp by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase
著者Chen, Y.H, Wang, X.C, Zhang, C.R.
登録日2022-05-05
公開日2023-05-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
6BNS
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BU of 6bns by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide and Compound 25a AKA BICYCLIC HEXAFLUOROISOPROPYL 2 ALCOHOL SULFONAMIDES
分子名称: 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 Chimera
著者DHAR, T.G, GONG, H, WEINSTEIN, D.S, LU, Z, DUAN, J.J.W, STACHURA, S, HAQUE, L, KARMAKAR, A, HEMAGIRI, H, RAUT, D.K, GUPTA, A.K, KHAN, J.A, SACK, J.S, CAMAC, D.M, PUDZIANOWSKI, A.A, WU, D.R, YARDE, M, SHEN, D.R, BOROWSKI, V, XIE, J.H, SUN, H, ARIENZO, C.D, DABROS, M, GALELLA, M.A, WANG, F, WEIGELT, C.A, ZHAO, Q, FOSTER, W, SOMERVILLE, J.E, SALTER-CID, L.M, BARRISH, J.C, CARTER, P.H.
登録日2017-11-17
公開日2017-12-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity.
Bioorg. Med. Chem. Lett., 28, 2018

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