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6I3D
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BU of 6i3d by Molmil
Crystal structure of Human soluble catechol O-methyltransferase in complex with 3,5-dinitrocatechol and Sinefungin
分子名称: 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ...
著者Levy, C.W.
登録日2018-11-05
公開日2019-09-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Equatorial Active Site Compaction and Electrostatic Reorganization in Catechol-O-methyltransferase.
Acs Catalysis, 9, 2019
5M1G
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BU of 5m1g by Molmil
Structure of a Spumaretrovirus Gag central domain reveals an ancient retroviral capsid
分子名称: Gag protein
著者Nicastro, G, Ball, N, Taylor, I.A.
登録日2016-10-07
公開日2016-10-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of a Spumaretrovirus Gag Central Domain Reveals an Ancient Retroviral Capsid.
Plos Pathog., 12, 2016
1TJX
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BU of 1tjx by Molmil
Crystallographic Identification of Ca2+ Coordination Sites in Synaptotagmin I C2B Domain
分子名称: ACETATE ION, CALCIUM ION, GLYCEROL, ...
著者Cheng, Y, Sequeira, S.M, Malinina, L, Tereshko, V, Sollner, T.H, Patel, D.J.
登録日2004-06-07
公開日2004-11-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Crystallographic identification of Ca2+ and Sr2+ coordination sites in synaptotagmin I C2B domain.
Protein Sci., 13, 2004
5XGA
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BU of 5xga by Molmil
Crystal structure of the EnvZ periplasmic domain with CHAPS
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ACETIC ACID, Osmolarity sensor protein EnvZ
著者Hwang, E, Cheong, H.K, Jeon, Y.H, Cheong, C.
登録日2017-04-13
公開日2017-07-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Crystal structure of the EnvZ periplasmic domain with CHAPS.
FEBS Lett., 591, 2017
5N9Q
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BU of 5n9q by Molmil
Structure of A. thaliana RCD1(468-567)
分子名称: Inactive poly [ADP-ribose] polymerase RCD1
著者Tossavainen, H, Hellman, M, Vainonen, J, Kangasjarvi, J, Permi, P.
登録日2017-02-27
公開日2018-03-14
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Arabidopsis RCD1 coordinates chloroplast and mitochondrial functions through interaction with ANAC transcription factors.
Elife, 8, 2019
5ND8
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BU of 5nd8 by Molmil
Hibernating ribosome from Staphylococcus aureus (Unrotated state)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Khusainov, I, Vicens, Q, Ayupov, R, Usachev, K, Myasnikov, A, Simonetti, A, Validov, S, Kieffer, B, Yusupova, G, Yusupov, M, Hashem, Y.
登録日2017-03-07
公開日2017-06-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structures and dynamics of hibernating ribosomes from Staphylococcus aureus mediated by intermolecular interactions of HPF.
EMBO J., 36, 2017
5NJ2
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BU of 5nj2 by Molmil
Crystal structure of BlaC from Mycobacterium tuberculosis bound to phosphate
分子名称: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ACETATE ION, ...
著者Tassoni, R, Pannu, N.S, Ubbink, M.
登録日2017-03-27
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Phosphate Promotes the Recovery of Mycobacterium tuberculosis beta-Lactamase from Clavulanic Acid Inhibition.
Biochemistry, 56, 2017
5XQK
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BU of 5xqk by Molmil
Crystal Structure of Transketolase in complex with xylulose-5-phosphate from Pichia Stipitis
分子名称: 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thia zol-3-ium-2-yl}-5-O-phosphono-D-xylitol, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-07
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
5ZKL
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BU of 5zkl by Molmil
Crystal structure of Streptococcus pneumoniae SP_0782 (residues 7-79) in complex with single-stranded DNA dT12
分子名称: DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), SP_0782
著者Lu, G, Li, S, Zhu, J, Yang, Y, Gong, P.
登録日2018-03-24
公開日2019-03-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Structural insight into the length-dependent binding of ssDNA by SP_0782 from Streptococcus pneumoniae, reveals a divergence in the DNA-binding interface of PC4-like proteins.
Nucleic Acids Res., 48, 2020
5MGK
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BU of 5mgk by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 4-propionyl-pyrrole derivative 2
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate
著者Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日2016-11-21
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
6KH9
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BU of 6kh9 by Molmil
Solution structure of bovine insulin amyloid intermediate-1
分子名称: Insulin A chain, Insulin B chain
著者Ratha, B.N, Kar, R.K, Brender, J.B, Bhunia, A.
登録日2019-07-14
公開日2020-08-12
最終更新日2020-11-18
実験手法SOLUTION NMR
主引用文献High-resolution structure of a partially folded insulin aggregation intermediate.
Proteins, 88, 2020
6KH8
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BU of 6kh8 by Molmil
Solution structure of Zn free Bovine Pancreatic Insulin in 20% acetic acid-d4 (pH 1.9)
分子名称: Insulin A Chain, Insulin B chain
著者Bhunia, A, Ratha, B.N, Kar, R.K, Brender, J.R.
登録日2019-07-14
公開日2020-10-07
最終更新日2020-11-18
実験手法SOLUTION NMR
主引用文献High-resolution structure of a partially folded insulin aggregation intermediate.
Proteins, 88, 2020
5YUM
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BU of 5yum by Molmil
Crystallographic structures of IlvN.Val/Ile complexes:Conformational selectivity for feedback inhibition of AHASs
分子名称: Acetolactate synthase isozyme 1 small subunit, COBALT (II) ION, ISOLEUCINE
著者Sarma, S.P, Bansal, A, Schindelin, H, Demeler, B.
登録日2017-11-22
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.432 Å)
主引用文献Crystallographic Structures of IlvN·Val/Ile Complexes: Conformational Selectivity for Feedback Inhibition of Aceto Hydroxy Acid Synthases.
Biochemistry, 58, 2019
5YVI
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BU of 5yvi by Molmil
Crystal structure of Karyopherin beta2 in complex with FUS(456-526)
分子名称: RNA-binding protein FUS, Transportin-1
著者Yoshizawa, T, Fung, H.Y.J, Chook, Y.M.
登録日2017-11-25
公開日2018-05-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Nuclear Import Receptor Inhibits Phase Separation of FUS through Binding to Multiple Sites.
Cell, 173, 2018
5ZKM
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BU of 5zkm by Molmil
Crystal structure of Streptococcus pneumoniae SP_0782 (residues 7-79) in complex with single-stranded DNA TCTTCC
分子名称: DNA (5'-D(P*TP*CP*TP*TP*CP*C)-3'), SP_0782
著者Lu, G, Li, S, Zhu, J, Yang, Y, Gong, P.
登録日2018-03-24
公開日2019-03-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural insight into the length-dependent binding of ssDNA by SP_0782 from Streptococcus pneumoniae, reveals a divergence in the DNA-binding interface of PC4-like proteins.
Nucleic Acids Res., 48, 2020
5MLL
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BU of 5mll by Molmil
Structure of HpDprA at 1.9 Angstroms resolution
分子名称: 1,2-ETHANEDIOL, DNA processing chain A (DprA)
著者Lisboa, J, Quevillon-Cheruel, S.
登録日2016-12-07
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The C-terminal domain of HpDprA is a DNA-binding Winged Helix domain that does not bind double-stranded DNA.
FEBS J., 2019
5M7F
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BU of 5m7f by Molmil
Human porphobilinogen deaminase in complex with DPM cofactor
分子名称: 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, Porphobilinogen deaminase, SULFATE ION
著者Pluta, P, Millet, O, Roversi, P, Rojas, A.L, Gu, S.
登録日2016-10-27
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Structural basis of pyrrole polymerization in human porphobilinogen deaminase.
Biochim Biophys Acta Gen Subj, 1862, 2018
5MGM
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BU of 5mgm by Molmil
Crystal Structure of BAZ2A bromodomain in complex with acetophenone derivative 4
分子名称: 1-(3-pyrimidin-2-yloxyphenyl)ethanone, Bromodomain adjacent to zinc finger domain protein 2A
著者Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日2016-11-21
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
6I6T
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BU of 6i6t by Molmil
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 5
分子名称: 1,2-ETHANEDIOL, 4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Alen, J, Schade, M, Wagener, M, Blaesse, M.
登録日2018-11-15
公開日2019-07-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
J.Med.Chem., 62, 2019
5XTX
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BU of 5xtx by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate VII from Pichia Stipitis
分子名称: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-2-[(2S,3S,4R,5R)-1,2,3,4,5-pentakis(oxidanyl)-6-phosphonooxy-hexan-2-yl]-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-21
公開日2018-06-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.049 Å)
主引用文献Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
6IYA
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BU of 6iya by Molmil
Structure of the DNA binding domain of antitoxin CopASO
分子名称: Transcriptional regulator CopG family
著者Zhao, R, Li, F, Liu, L, Zhang, X.
登録日2018-12-14
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure and allosteric coupling of type II antitoxin CopASO.
Biochem.Biophys.Res.Commun., 514, 2019
6J37
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BU of 6j37 by Molmil
DNA minidumbbell structure of two CTTG repeats
分子名称: DNA (5'-D(*CP*TP*TP*GP*CP*TP*TP*G)-3'), SODIUM ION
著者Lam, S.L, Guo, P.
登録日2019-01-04
公開日2019-05-29
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Unprecedented hydrophobic stabilizations from a reverse wobble T·T mispair in DNA minidumbbell.
J.Biomol.Struct.Dyn., 38, 2020
5XO3
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BU of 5xo3 by Molmil
Thanatin M21F Free
分子名称: Thanatin
著者Sinha, S, Bhattacharjya, S.
登録日2017-05-26
公開日2018-06-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Thanatin M21F Free
To Be Published
5XU9
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BU of 5xu9 by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate IX and gauche form erythrose-4-phosphate from Pichia Stipitis
分子名称: 2-[(2E)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[1,2-bis(oxidanyl)ethylidene]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-22
公開日2018-06-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.166 Å)
主引用文献Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
5LT8
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Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
分子名称: Histone-lysine N-methyltransferase SETD2, SINEFUNGIN, ZINC ION
著者Tisi, D, Pathuri, P, Heightman, T.
登録日2016-09-06
公開日2016-10-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016

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