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5TS0
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Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2208
分子名称: (2S)-N-{(2S)-3-methoxy-1-[(naphthalen-1-ylmethyl)amino]-1-oxopropan-2-yl}-4-oxo-2-[(3-phenylpropanoyl)amino]-4-(1H-pyrrol-1-yl)butanamide (non-preferred name), Proteasome subunit alpha, Proteasome subunit beta
著者Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H.
登録日2016-10-27
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.84679747 Å)
主引用文献Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.
Biochemistry, 56, 2017
3PT6
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BU of 3pt6 by Molmil
Crystal structure of mouse DNMT1(650-1602) in complex with DNA
分子名称: DNA (5'-D(*CP*CP*TP*GP*CP*GP*GP*AP*GP*GP*CP*TP*CP*AP*CP*GP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*CP*GP*TP*GP*AP*GP*CP*CP*TP*CP*CP*GP*CP*AP*GP*G)-3'), DNA (cytosine-5)-methyltransferase 1, ...
著者Song, J, Patel, D.J.
登録日2010-12-02
公開日2010-12-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of DNMT1-DNA complex reveals a role for autoinhibition in maintenance DNA methylation.
Science, 331, 2011
5U5H
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BU of 5u5h by Molmil
Crystal structure of EED in complex with 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
分子名称: (6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Polycomb protein EED
著者Bussiere, D, Shu, W.
登録日2016-12-06
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
2IGD
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BU of 2igd by Molmil
ANISOTROPIC STRUCTURE OF PROTEIN G IGG-BINDING DOMAIN III AT 1.1 ANGSTROM RESOLUTION
分子名称: PROTEIN G
著者Butterworth, S, Lamzin, V.L, Wigley, D.B, Derrick, J.P, Wilson, K.S.
登録日1997-04-30
公開日1998-07-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Anisotropic Refinement of a Protein G Domain at 1.1 Angstrom Resolution
To be Published
1LZE
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BU of 1lze by Molmil
DISSECTION OF PROTEIN-CARBOHYDRATE INTERACTIONS IN MUTANT HEN EGG-WHITE LYSOZYME COMPLEXES AND THEIR HYDROLYTIC ACTIVITY
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEN EGG WHITE LYSOZYME
著者Maenaka, K, Matsushima, M, Song, H, Watanabe, K, Kumagai, I.
登録日1995-02-10
公開日1995-05-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Dissection of protein-carbohydrate interactions in mutant hen egg-white lysozyme complexes and their hydrolytic activity.
J.Mol.Biol., 247, 1995
1WYW
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BU of 1wyw by Molmil
Crystal Structure of SUMO1-conjugated thymine DNA glycosylase
分子名称: CHLORIDE ION, G/T mismatch-specific thymine DNA glycosylase, MAGNESIUM ION, ...
著者Baba, D, Maita, N, Jee, J.G, Uchimura, Y, Saitoh, H, Sugasawa, K, Hanaoka, F, Tochio, H, Hiroaki, H, Shirakawa, M.
登録日2005-02-17
公開日2005-06-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of thymine DNA glycosylase conjugated to SUMO-1.
Nature, 435, 2005
1C4G
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BU of 1c4g by Molmil
PHOSPHOGLUCOMUTASE VANADATE BASED TRANSITION STATE ANALOG COMPLEX
分子名称: ALPHA-D-GLUCOSE-1-PHOSPHATE-6-VANADATE, COBALT (II) ION, PROTEIN (ALPHA-D-GLUCOSE 1-PHOSPHATE PHOSPHOGLUCOMUTASE)
著者Baranidharan, S, Ray Jr, W.J.
登録日1999-08-24
公開日1999-08-27
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Relationships at the Active Site of Phos in Analog Complexes
To be Published
1RAQ
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BU of 1raq by Molmil
THE STRUCTURE AND FUNCTION OF OMEGA LOOP A REPLACEMENTS IN CYTOCHROME C
分子名称: HEME C, REP A2 ISO-1-CYTOCHROME C, SULFATE ION
著者Murphy, M.E.P, Brayer, G.D.
登録日1992-08-25
公開日1993-10-31
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure and function of omega loop A replacements in cytochrome c.
Protein Sci., 2, 1993
1YYY
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BU of 1yyy by Molmil
Trypsin inhibitors with rigid tripeptidyl aldehydes
分子名称: 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, CALCIUM ION, TRYPSIN
著者Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
登録日1998-06-03
公開日1999-06-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
7EDX
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BU of 7edx by Molmil
p53-bound TFIID-based core PIC on HDM2 promoter
分子名称: DNA (84-mer), DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ...
著者Chen, X, Qi, Y, Hou, H, Wang, X, Wu, Z, Li, J, Xu, Y.
登録日2021-03-17
公開日2021-05-05
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural insights into preinitiation complex assembly on core promoters.
Science, 372, 2021
5OOM
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BU of 5oom by Molmil
Structure of a native assembly intermediate of the human mitochondrial ribosome with unfolded interfacial rRNA
分子名称: 16S ribosomal RNA, 39S ribosomal protein L10, mitochondrial, ...
著者Brown, A, Rathore, S, Kimanius, D, Aibara, S, Bai, X.C, Rorbach, J, Amunts, A, Ramakrishnan, V.
登録日2017-08-08
公開日2017-09-13
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Structures of the human mitochondrial ribosome in native states of assembly.
Nat. Struct. Mol. Biol., 24, 2017
3PIZ
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BU of 3piz by Molmil
Crystal structure of BTK kinase domain complexed with (5-Amino-1-o-tolyl-1H-pyrazol-4-yl)-[3-(1-methanesulfonyl-piperidin-4-yl)-phenyl]-methanone
分子名称: Tyrosine-protein kinase BTK, [5-amino-1-(2-methylphenyl)-1H-pyrazol-4-yl]{3-[1-(methylsulfonyl)piperidin-4-yl]phenyl}methanone
著者Kuglstatter, A, Wong, A.
登録日2010-11-08
公開日2011-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures.
Protein Sci., 20, 2011
1RGT
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BU of 1rgt by Molmil
Crystal structure of human Tyrosyl-DNA Phosphodiesterase complexed with vanadate, octopamine, and tetranucleotide AGTC
分子名称: 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, 5'-D(*AP*GP*TP*C)-3', ...
著者Davies, D.R, Interthal, H, Champoux, J.J, Hol, W.G.
登録日2003-11-12
公開日2004-03-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem., 47, 2004
4AN1
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BU of 4an1 by Molmil
PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND INHIBITOR IC-4
分子名称: (2S)-N-benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide, GLYCEROL, PROLYL ENDOPEPTIDASE
著者Kaszuba, K, Rog, T, Danne, R, Canning, P, Fulop, V, Juhasz, T, Szeltner, Z, St-Pierre, J.F, Garcia-Horsman, A, Mannisto, P.T, Karttunen, M, Hokkanen, J, Bunker, A.
登録日2012-03-14
公開日2012-05-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular Dynamics, Crystallography and Mutagenesis Studies on the Substrate Gating Mechanism of Prolyl Oligopeptidase.
Biochimie, 94, 2012
5TRS
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BU of 5trs by Molmil
Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2144
分子名称: N-tert-butoxy-N~2~-(5-methyl-1,2-oxazole-3-carbonyl)-L-asparaginyl-O-methyl-N-[(naphthalen-1-yl)methyl]-L-serinamide, Proteasome subunit alpha, Proteasome subunit beta
著者Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H.
登録日2016-10-27
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.083567 Å)
主引用文献Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.
Biochemistry, 56, 2017
1WDK
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BU of 1wdk by Molmil
fatty acid beta-oxidation multienzyme complex from Pseudomonas fragi, form I (native2)
分子名称: 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, 3-ketoacyl-CoA thiolase, ACETYL COENZYME *A, ...
著者Ishikawa, M, Tsuchiya, D, Oyama, T, Tsunaka, Y, Morikawa, K.
登録日2004-05-17
公開日2004-07-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for channelling mechanism of a fatty acid beta-oxidation multienzyme complex
Embo J., 23, 2004
2WIJ
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BU of 2wij by Molmil
NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F.
登録日2009-05-12
公開日2009-05-19
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun.
Biochem. J., 421, 2009
2PBL
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BU of 2pbl by Molmil
Crystal structure of a putative thioesterase (tm1040_2492) from silicibacter sp. tm1040 at 1.79 A resolution
分子名称: CHLORIDE ION, MAGNESIUM ION, PHOSPHATE ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2007-03-28
公開日2007-04-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal structure of putative thioesterase (YP_614486.1) from Silicibacter sp. TM1040 at 1.79 A resolution
To be published
2WII
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BU of 2wii by Molmil
Complement C3b in complex with factor H domains 1-4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COMPLEMENT C3 BETA CHAIN, ...
著者Wu, J, Janssen, B.J.C, Gros, P.
登録日2009-05-12
公開日2009-06-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of complement fragment C3b-factor H and implications for host protection by complement regulators.
Nat. Immunol., 10, 2009
2I2Q
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Fission Yeast cofilin
分子名称: 1,2-ETHANEDIOL, Cofilin, LAURYL DIMETHYLAMINE-N-OXIDE, ...
著者Andrianantoandro, E, Pollard, T.D.
登録日2006-08-16
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Mechanism of Actin Filament Turnover by Severing and Nucleation at Different Concentrations of ADF/Cofilin.
Mol.Cell, 24, 2006
6IS0
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Crystal structure of the zebrafish cap-specific adenosine methyltransferase bound to SAH and m7G-capped RNA
分子名称: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, ...
著者Hirano, S, Nishimasu, H, Ishitani, R, Nureki, O.
登録日2018-11-15
公開日2018-12-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cap-specific terminal N 6 -methylation of RNA by an RNA polymerase II-associated methyltransferase.
Science, 363, 2019
4LLG
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Crystal Structure Analysis of the E.coli holoenzyme/Gp2 complex
分子名称: Bacterial RNA polymerase inhibitor, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Bae, B, Darst, S.A.
登録日2013-07-09
公開日2013-11-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.7936 Å)
主引用文献Phage T7 Gp2 inhibition of Escherichia coli RNA polymerase involves misappropriation of sigma 70 domain 1.1.
Proc.Natl.Acad.Sci.USA, 110, 2013
3P5K
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BU of 3p5k by Molmil
P38 inhibitor-bound
分子名称: 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Namboodiri, H.
登録日2010-10-08
公開日2011-11-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD).
Bioorg.Med.Chem.Lett., 21, 2011
5QGB
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PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000628a
分子名称: (4R,4aR,6R,8aR)-1-benzyloctahydro-2H-6,4-(epiminomethano)-3,1-benzoxazin-2-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.552 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
6IK5
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Crystal structure of tomato beta-galactosidase (TBG) 4 in complex with galactose
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, Beta-galactosidase, ...
著者Matsuyama, K, Nakae, S, Igarashi, K, Tada, T, Ishimaru, M.
登録日2018-10-15
公開日2018-11-28
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Substrate-recognition mechanism of tomato beta-galactosidase 4 using X-ray crystallography and docking simulation.
Planta, 252, 2020

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