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BU of 3cpa by Molmil

X-RAY CRYSTALLOGRAPHIC INVESTIGATION OF SUBSTRATE BINDING TO CARBOXYPEPTIDASE A AT SUBZERO TEMPERATURE
分子名称:	CARBOXYPEPTIDASE A, GLYCINE, TYROSINE, ...
著者	Lipscomb, W.N.
登録日	1982-03-24
公開日	1982-07-29
最終更新日	2017-11-29
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	X-ray crystallographic investigation of substrate binding to carboxypeptidase A at subzero temperature. Proc.Natl.Acad.Sci.USA, 83, 1986

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BU of 6h39 by Molmil

Yeast 20S proteasome in complex with the peptidic non-covalent binding inhibitor RTS-V5
分子名称:	2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者	Groll, M, Hansen, F.K.
登録日	2018-07-17
公開日	2018-11-07
最終更新日	2024-01-17
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	Discovery of the First-in-Class Dual Histone Deacetylase-Proteasome Inhibitor. J. Med. Chem., 61, 2018

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BU of 6who by Molmil

Histone deacetylases complex with peptide macrocycles
分子名称:	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ...
著者	Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
登録日	2020-04-08
公開日	2021-04-21
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021

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BU of 6whn by Molmil

Histone deacetylases complex with peptide macrocycles
分子名称:	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
著者	Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
登録日	2020-04-08
公開日	2021-04-21
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (1.54 Å)
主引用文献	Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021

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BU of 6whq by Molmil

Histone deacetylases complex with peptide macrocycles
分子名称:	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ...
著者	Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
登録日	2020-04-08
公開日	2021-04-21
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (2.35 Å)
主引用文献	Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021

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BU of 6whz by Molmil

Histone deacetylases complex with peptide macrocycles
分子名称:	Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ...
著者	Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
登録日	2020-04-08
公開日	2021-04-21
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (2.9 Å)
主引用文献	Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021

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BU of 6wi3 by Molmil

Histone deacetylases complex with peptide macrocycles
分子名称:	(SHA)W(DTH)DN(DSN)(DME)(DAS)K peptide macrocycle, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, ...
著者	Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
登録日	2020-04-08
公開日	2021-04-21
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (2.35 Å)
主引用文献	Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021

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BU of 8owz by Molmil

Crystal structure of human Sirt2 in complex with a triazole-based SirReal
分子名称:	(R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide, ...
著者	Friedrich, F, Zhang, L, Schiedel, M, Einsle, O, Jung, M.
登録日	2023-04-28
公開日	2023-11-15
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (1.65 Å)
主引用文献	Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation. J.Med.Chem., 66, 2023

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BU of 3caj by Molmil

Crystal structure of the human carbonic anhydrase II in complex with ethoxzolamide
分子名称:	6-ethoxy-1,3-benzothiazole-2-sulfonamide, CHLORIDE ION, Carbonic anhydrase 2, ...
著者	Di Fiore, A, De Simone, G.
登録日	2008-02-20
公開日	2008-04-08
最終更新日	2023-11-01
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Carbonic anhydrase inhibitors: the X-ray crystal structure of ethoxzolamide complexed to human isoform II reveals the importance of thr200 and gln92 for obtaining tight-binding inhibitors Bioorg.Med.Chem.Lett., 18, 2008

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BU of 1eou by Molmil

CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH AN ANTICONVULSANT SUGAR SULFAMATE
分子名称:	CARBONIC ANHYDRASE II (CA II), SULFAMIC ACID 2,3-O-(1-METHYLETHYLIDENE)-4,5-O-SULFONYL-BETA-FRUCTOPYRANOSE ESTER, ZINC ION
著者	Recacha, R, Costanzo, M.J, Maryanoff, B.E, Chattopadhyay, D.
登録日	2000-03-24
公開日	2002-02-13
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Crystal structure of human carbonic anhydrase II complexed with an anti-convulsant sugar sulphamate. Biochem.J., 361, 2002

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BU of 7uk2 by Molmil

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with NN-390
分子名称:	Hdac6 protein, N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide, POTASSIUM ION, ...
著者	Erdogan, F, Seo, H.-S, Dhe-Paganon, S.
登録日	2022-03-31
公開日	2022-11-02
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	High Efficacy and Drug Synergy of HDAC6-Selective Inhibitor NN-429 in Natural Killer (NK)/T-Cell Lymphoma. Pharmaceuticals, 15, 2022

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BU of 5jn8 by Molmil

Crystal Structure for the complex of human carbonic anhydrase IV and acetazolamide
分子名称:	5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ACETATE ION, Carbonic anhydrase 4, ...
著者	Chen, Z, Waheed, A, Di Cera, E, Sly, W.S.
登録日	2016-04-29
公開日	2017-05-03
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018

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BU of 5jnc by Molmil

Crystal structure for the complex of human carbonic anhydrase IV and 4-aminomethylbenzene sulfonamide
分子名称:	4-(aminomethyl)benzene-1-sulfonamide, ACETATE ION, Carbonic anhydrase 4, ...
著者	Chen, Z, Waheed, A, Di Cera, E, Sly, W.S.
登録日	2016-04-29
公開日	2017-05-03
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018

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BU of 5jna by Molmil

Crystal structure for the complex of human carbonic anhydrase IV and topiramate
分子名称:	ACETATE ION, Carbonic anhydrase 4, GLYCEROL, ...
著者	Chen, Z, Waheed, A, Di Cera, E, Sly, W.S.
登録日	2016-04-29
公開日	2017-05-03
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018

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BU of 5jn9 by Molmil

Crystal structure for the complex of human carbonic anhydrase IV and ethoxyzolamide
分子名称:	6-ethoxy-1,3-benzothiazole-2-sulfonamide, ACETATE ION, Carbonic anhydrase 4, ...
著者	Chen, Z, Waheed, A, Di Cera, E, Sly, W.S.
登録日	2016-04-29
公開日	2017-05-03
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018

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BU of 1qpw by Molmil

CRYSTAL STRUCTURE DETERMINATION OF PORCINE HEMOGLOBIN AT 1.8A RESOLUTION
分子名称:	OXYGEN MOLECULE, PORCINE HEMOGLOBIN (ALPHA SUBUNIT), PORCINE HEMOGLOBIN (BETA SUBUNIT), ...
著者	Lu, T.-H, Panneerselvam, K, Liaw, Y.-C, Kan, P, Lee, C.-J.
登録日	1999-05-30
公開日	1999-06-04
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Structure determination of porcine haemoglobin. Acta Crystallogr.,Sect.D, 56, 2000

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BU of 1hq4 by Molmil

STRUCTURE OF NATIVE CATALYTIC ANTIBODY HA5-19A4
分子名称:	ANTIBODY HA5-19A4 FAB HEAVY CHAIN, ANTIBODY HA5-19A4 FAB LIGHT CHAIN, CADMIUM ION
著者	Paschall, C.M, Hasserodt, J, Lerner, R.A, Janda, K.D, Christianson, D.W.
登録日	2000-12-14
公開日	2003-06-03
最終更新日	2023-08-09
実験手法	X-RAY DIFFRACTION (2.7 Å)
主引用文献	Polyene Cyclization Reactions Thesis, 2000

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