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2DJF
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BU of 2djf by Molmil
Crystal Structure of human dipeptidyl peptidase I (Cathepsin C) in complex with the inhibitor Gly-Phe-CHN2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CHLORIDE ION, ...
著者Molgaard, A, Arnau, J, Lauritzen, C, Larsen, S, Petersen, G, Pedersen, J.
登録日2006-04-02
公開日2006-11-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of human dipeptidyl peptidase I (cathepsin C) in complex with the inhibitor Gly-Phe-CHN2
Biochem.J., 401, 2007
6SFU
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BU of 6sfu by Molmil
Human Carbonic Anhydrase II in complex with a furan-containing benzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(furan-2-ylmethylamino)benzenesulfonamide, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-08-02
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Human Carbonic Anhydrase II in complex with a furan-containing benzenesulfonamide
To Be Published
6SEY
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Human Carbonic Anhydrase II in complex with aliphatically substituted benzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(4-oxidanylbutyl)benzenesulfonamide, Carbonic anhydrase 2, ...
著者Gloeckner, S, Ngo, K, Heine, A, Klebe, G.
登録日2019-07-30
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Human Carbonic Anhydrase II in complex with aliphatically substituted benzenesulfonamide
To Be Published
2UVM
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BU of 2uvm by Molmil
Structure of PKBalpha PH domain in complex with a novel inositol headgroup surrogate, benzene 1,2,3,4-tetrakisphosphate
分子名称: BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)], RAC-ALPHA SERINE/THREONINE-PROTEIN KINASE, SODIUM ION
著者Komander, D, Mills, S.J, Trusselle, M.N, Safrany, S.T, van Aalten, D.M.F, Potter, B.V.L.
登録日2007-03-12
公開日2007-04-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Novel Inositol Phospholipid Headgroup Surrogate Crystallised in the Pleckstrin Homology Domain of Protein Kinase Balpha.
Acs Chem.Biol., 2, 2007
5LJQ
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BU of 5ljq by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 4-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide inhibitor
分子名称: 1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole, Carbonic anhydrase 2, GLYCEROL, ...
著者Ferraroni, M, Supuran, C.
登録日2016-07-19
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Benzenesulfonamides Incorporating Flexible Triazole Moieties Are Highly Effective Carbonic Anhydrase Inhibitors: Synthesis and Kinetic, Crystallographic, Computational, and Intraocular Pressure Lowering Investigations.
J. Med. Chem., 59, 2016
2FIE
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BU of 2fie by Molmil
Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitors
分子名称: 2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE, Fructose-1,6-bisphosphatase 1
著者Abad-Zapatero, C.
登録日2005-12-29
公開日2006-02-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase.
Bioorg.Med.Chem.Lett., 16, 2006
2FHY
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BU of 2fhy by Molmil
Structure of human liver FPBase complexed with a novel benzoxazole as allosteric inhibitor
分子名称: 2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE, Fructose-1,6-bisphosphatase 1, MAGNESIUM ION
著者Abad-Zapatero, C.
登録日2005-12-27
公開日2006-02-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Benzoxazole benzenesulfonamides are novel allosteric inhibitors of fructose-1,6-bisphosphatase with a distinct binding mode.
Bioorg.Med.Chem.Lett., 16, 2006
5HGP
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BU of 5hgp by Molmil
Hexameric HIV-1 CA in complex with hexacarboxybenzene
分子名称: BENZENE HEXACARBOXYLIC ACID, Capsid protein P24
著者Jacques, D.A, James, L.C.
登録日2016-01-08
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
7ZRB
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BU of 7zrb by Molmil
Crystal structure of Beta-catenin Armadillo repeats domain in complex with the inhibitor RS6452
分子名称: 4-bromanyl-~{N}-(3-pyridin-2-ylphenyl)benzenesulfonamide, Catenin beta-1
著者Capelli, D, Pochetti, G, Montanari, R.
登録日2022-05-04
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.434 Å)
主引用文献Novel N -(Heterocyclylphenyl)benzensulfonamide Sharing an Unreported Binding Site with T-Cell Factor 4 at the beta-Catenin Armadillo Repeats Domain as an Anticancer Agent.
Acs Pharmacol Transl Sci, 6, 2023
5TTO
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BU of 5tto by Molmil
X-ray crystal structure of PPARgamma in complex with SR1643
分子名称: 4-bromo-N-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide, Peroxisome proliferator-activated receptor gamma
著者Bruning, J.B, Frkic, R.L, Griffin, P, Kamenecka, T, Abell, A.
登録日2016-11-04
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.246 Å)
主引用文献Structure-Activity Relationship of 2,4-Dichloro-N-(3,5-dichloro-4-(quinolin-3-yloxy)phenyl)benzenesulfonamide (INT131) Analogs for PPAR gamma-Targeted Antidiabetics.
J. Med. Chem., 60, 2017
5ULN
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BU of 5uln by Molmil
Synthesis of novel seleno ureido containing compounds as SLC-0111 analogs. Investigations on carbonic anhydrases activity, glutathione peroxidase and X-ray crystallography
分子名称: 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Peat, T.S, Angeli, A, Tanini, D, Bartolucci, G, Capperucci, A, Supuran, C.T, Carta, F.
登録日2017-01-25
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors.
ACS Med Chem Lett, 8, 2017
3QYK
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BU of 3qyk by Molmil
Human Carbonic Anhydrase II complexed with triple ring benzene sulfonamide inhibitor
分子名称: 4-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4H)-yl)benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Aggarwal, M, McKenna, R.
登録日2011-03-03
公開日2012-03-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.469 Å)
主引用文献Human Carbonic Anhydrase II complexed with triple ring benzene sulfonamide inhibitor
To be Published
5WCM
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BU of 5wcm by Molmil
Crystal structure of the complex between class B3 beta-lactamase BJP-1 and 4-nitrobenzene-sulfonamide - new refinement
分子名称: 4-nitrobenzenesulfonamide, Blr6230 protein, ZINC ION
著者Docquier, J.D, Benvenuti, M, Calderone, V, Menciassi, N, Shabalin, I.G, Raczynska, J.E, Wlodawer, A, Jaskolski, M, Minor, W, Mangani, S.
登録日2017-06-30
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献High-resolution crystal structure of the subclass B3 metallo-beta-lactamase BJP-1: rational basis for substrate specificity and interaction with sulfonamides.
Antimicrob. Agents Chemother., 54, 2010
7DXN
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BU of 7dxn by Molmil
Plant growth-promoting factor YxaL from Bacillus velezensis
分子名称: CHLORIDE ION, Membrane associated protein kinase with beta-propeller domain, pyrrolo-quinoline quinone beta-propeller repeat
著者Baek, Y, Ha, N.-C.
登録日2021-01-19
公開日2022-01-19
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the plant growth-promoting factor YxaL from the rhizobacterium Bacillus velezensis and its application to protein engineering.
Acta Crystallogr D Struct Biol, 78, 2022
7EVF
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BU of 7evf by Molmil
Plant growth-promoting factor YxaL mutant from Bacillus velezensis - T175W/S213G/W215A
分子名称: PQQ_3 domain-containing protein
著者Kim, J, Ha, N.-C.
登録日2021-05-21
公開日2022-01-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of the plant growth-promoting factor YxaL from the rhizobacterium Bacillus velezensis and its application to protein engineering.
Acta Crystallogr D Struct Biol, 78, 2022
7EQ5
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BU of 7eq5 by Molmil
Plant growth-promoting factor YxaL mutant from Bacillus velezensis - T175W/W215G
分子名称: Membrane associated protein kinase with beta-propeller domain, pyrrolo-quinoline quinone beta-propeller repeat
著者Kim, J, Ha, N.-C.
登録日2021-04-30
公開日2022-01-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the plant growth-promoting factor YxaL from the rhizobacterium Bacillus velezensis and its application to protein engineering.
Acta Crystallogr D Struct Biol, 78, 2022
5X5O
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BU of 5x5o by Molmil
Crystal structure of ZAK in complex with compound D2829
分子名称: Mitogen-activated protein kinase kinase kinase MLT, N-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide
著者Dai, Y.B, Zhao, P, Yun, C.H.
登録日2017-02-17
公開日2017-12-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.868 Å)
主引用文献Structure Based Design of N-(3-((1H-Pyrazolo[3,4-b]pyridin-5-yl)ethynyl)benzenesulfonamides as Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors.
J. Med. Chem., 60, 2017
5OGO
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BU of 5ogo by Molmil
Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
分子名称: 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2017-07-13
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
To be published
5OGJ
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BU of 5ogj by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with 2-(Cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
分子名称: 1,2-ETHANEDIOL, 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, ACETATE ION, ...
著者Manakova, E, Smirnov, A, Grazulis, S.
登録日2017-07-13
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Crystal structure of human carbonic anhydrase isozyme XIII with 2-(Cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
To be published
5OHH
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BU of 5ohh by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
分子名称: 1,2-ETHANEDIOL, 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, ACETATE ION, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2017-07-17
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Crystal structure of human carbonic anhydrase isozyme XIII with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
To be published
7Y6C
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BU of 7y6c by Molmil
Crystal structure of the EscE/EsaG/EsaH complex
分子名称: EscE/YscE/SsaE family type III secretion system needle protein co-chaperone, EscG/YscG/SsaH family type III secretion system needle protein co-chaperone
著者Zeng, Z.X, Xiao, S.B, Liao, L.J, Zhou, Y.Z.
登録日2022-06-18
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Secreted in a Type III Secretion System-Dependent Manner, EsaH and EscE Are the Cochaperones of the T3SS Needle Protein EsaG of Edwardsiella piscicida.
Mbio, 13, 2022
7Y6B
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BU of 7y6b by Molmil
Crystal structure of the EscE/EsaH complex
分子名称: EscE/YscE/SsaE family type III secretion system needle protein co-chaperone, EscG/YscG/SsaH family type III secretion system needle protein co-chaperone
著者Zeng, Z.X, Xiao, S.B, Liao, L.J, Zhou, Y.Z.
登録日2022-06-18
公開日2022-07-20
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Secreted in a Type III Secretion System-Dependent Manner, EsaH and EscE Are the Cochaperones of the T3SS Needle Protein EsaG of Edwardsiella piscicida.
Mbio, 13, 2022
2FU5
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BU of 2fu5 by Molmil
structure of Rab8 in complex with MSS4
分子名称: BETA-MERCAPTOETHANOL, Guanine nucleotide exchange factor MSS4, Ras-related protein Rab-8A, ...
著者Itzen, A, Pylypenko, O, Goody, R.S, Rak, A.
登録日2006-01-26
公開日2006-04-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Nucleotide exchange via local protein unfolding-structure of Rab8 in complex with MSS4
Embo J., 25, 2006
1W8S
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BU of 1w8s by Molmil
The mechanism of the Schiff Base Forming Fructose-1,6-bisphosphate Aldolase: Structural analysis of reaction intermediates
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I
著者Lorentzen, E, Hensel, R, Siebers, B, Pohl, E.
登録日2004-09-27
公開日2005-03-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mechanism of the Schiff base forming fructose-1,6-bisphosphate aldolase: structural analysis of reaction intermediates.
Biochemistry, 44, 2005
8XUP
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BU of 8xup by Molmil
Crystal structure of lipoprotein NlpI in complex with MepS
分子名称: Lipoprotein NlpI, Murein DD-endopeptidase MepS/Murein LD-carboxypeptidase
著者Tzeng, S.R, Wang, S, Huang, C.H.
登録日2024-01-13
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of lipoprotein NlpI in complex with MepS
To Be Published

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件を2024-07-10に公開中

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