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6A9K
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BU of 6a9k by Molmil
Crystal structure of the complex of the hydrolytic antibody Fab 9C10 with a transition-state analog
Descriptor: 5-[(2R,3R)-2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenyl)-3-[oxidanyl-[[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]methyl]phosphoryl]oxy-propoxy]-5-oxidanylidene-pentanoic acid, IMMUNOGLOBULIN 9C10 H CHAIN, IMMUNOGLOBULIN 9C10 L CHAIN
Authors:Tsuchiya, Y, Fujii, I, Tada, T, Yamaguchi, A, Tsumuraya, T, Kumon, A.
Deposit date:2018-07-13
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the complex of the hydrolytic antibody Fab 9C10 with a transition-state analog
To Be Published
6IGU
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BU of 6igu by Molmil
Crystal structure of the hydrolytic antibody Fab 9C10
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IMMUNOGLOBULIN 9C10 H CHAIN, IMMUNOGLOBULIN 9C10 L CHAIN, ...
Authors:Yamaguchi, A, Tada, T, Tsuchiya, Y, Tsumuraya, T, Fujii, I.
Deposit date:2018-09-26
Release date:2019-10-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structure of the complex of the hydrolytic antibody Fab 9C10 and a transition-state analog
To Be Published
6I2U
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BU of 6i2u by Molmil
Aurora-A kinase domain in complex with Coenzyme A
Descriptor: Aurora kinase A, COENZYME A, DI(HYDROXYETHYL)ETHER, ...
Authors:Burgess, S.G, Bayliss, R.
Deposit date:2018-11-02
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Covalent Aurora A regulation by the metabolic integrator coenzyme A.
Redox Biol, 28, 2019
8J6N
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BU of 8j6n by Molmil
Crystal structure of Cystathionine gamma-lyase in complex with compound 1
Descriptor: 1,2-ETHANEDIOL, Cystathionine gamma-lyase, GLYCEROL, ...
Authors:Hibi, R, Toma-Fukai, S, Shimizu, T, Hanaoka, K.
Deposit date:2023-04-26
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a cystathionine gamma-lyase (CSE) selective inhibitor targeting active-site pyridoxal 5'-phosphate (PLP) via Schiff base formation.
Sci Rep, 13, 2023
7C87
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BU of 7c87 by Molmil
Peroxiredoxin from Aeropyrum pernix K1 (ApPrx) C50S/F80C/C207S/C213S mutant (ApPrx*F80C)
Descriptor: CITRIC ACID, Peroxiredoxin
Authors:Himiyama, T, Nakamura, T.
Deposit date:2020-05-29
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rebuilding Ring-Type Assembly of Peroxiredoxin by Chemical Modification.
Bioconjug.Chem., 32, 2021
7C89
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BU of 7c89 by Molmil
Peroxiredoxin from Aeropyrum pernix K1 (ApPrx) C50S/F80C/C207S/C213S mutant modified with 2-bromoacetophenone(Ph@ApPrx*)
Descriptor: 2-bromanyl-1-phenyl-ethanone, CITRATE ANION, Peroxiredoxin
Authors:Himiyama, T, Nakamura, T.
Deposit date:2020-05-29
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rebuilding Ring-Type Assembly of Peroxiredoxin by Chemical Modification.
Bioconjug.Chem., 32, 2021
5B2E
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BU of 5b2e by Molmil
N,N'-diacetylchitobiose deacetylase from Pyrococcus horikoshii complexed with its inhibitor MPG (acetate-containing condition)
Descriptor: 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-beta-D-glucopyranose, HEXANE-1,6-DIOL, Putative uncharacterized protein PH0499, ...
Authors:Nakamura, T, Niiyama, M, Ida, K, Uegaki, K.
Deposit date:2016-01-15
Release date:2016-08-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Substrate recognition of N,N'-diacetylchitobiose deacetylase from Pyrococcus horikoshii
J.Struct.Biol., 195, 2016
5B2F
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BU of 5b2f by Molmil
N,N'-diacetylchitobiose deacetylase from Pyrococcus horikoshii complexed with its inhibitor MPG (phosphate-containing condition)
Descriptor: 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-beta-D-glucopyranose, Putative uncharacterized protein PH0499, ZINC ION
Authors:Nakamura, T, Niiyama, M, Ida, K, Uegaki, K.
Deposit date:2016-01-15
Release date:2016-08-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate recognition of N,N'-diacetylchitobiose deacetylase from Pyrococcus horikoshii
J.Struct.Biol., 195, 2016
5WQJ
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BU of 5wqj by Molmil
Crystal structure of 3-Mercaptopyruvate Sulfurtransferase(3MST) in complex with compound1
Descriptor: 2-[2-[(4-oxidanylidene-3~{H}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide, SODIUM ION, Sulfurtransferase
Authors:Suwanai, Y, Toma-Fukai, S, Shimizu, T.
Deposit date:2016-11-27
Release date:2017-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Discovery and Mechanistic Characterization of Selective Inhibitors of H2S-producing Enzyme: 3-Mercaptopyruvate Sulfurtransferase (3MST) Targeting Active-site Cysteine Persulfide
Sci Rep, 7, 2017
5WQK
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BU of 5wqk by Molmil
Crystal structure of 3-Mercaptopyruvate Sulfurtransferase(3MST) in complex with compound1
Descriptor: 4-methyl-2-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-1~{H}-pyrimidin-6-one, SODIUM ION, Sulfurtransferase
Authors:Suwanai, Y, Toma-Fukai, S, Shimizu, T.
Deposit date:2016-11-27
Release date:2017-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and Mechanistic Characterization of Selective Inhibitors of H2S-producing Enzyme: 3-Mercaptopyruvate Sulfurtransferase (3MST) Targeting Active-site Cysteine Persulfide
Sci Rep, 7, 2017
3WQT
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BU of 3wqt by Molmil
Staphylococcus aureus FtsA complexed with AMPPNP
Descriptor: CHLORIDE ION, Cell division protein FtsA, MAGNESIUM ION, ...
Authors:Fujita, J, Maeda, Y, Miyazaki, Y, Inoue, T, Matsumura, H.
Deposit date:2014-02-01
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of FtsA from Staphylococcus aureus
FEBS Lett., 588, 2014
3WQU
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BU of 3wqu by Molmil
Staphylococcus aureus FtsA complexed with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell division protein FtsA, MAGNESIUM ION
Authors:Fujita, J, Maeda, Y, Miyazaki, Y, Inoue, T, Matsumura, H.
Deposit date:2014-02-01
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of FtsA from Staphylococcus aureus
FEBS Lett., 588, 2014
6A1C
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BU of 6a1c by Molmil
Crystal structure of the CK2a1-go289 complex
Descriptor: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-4-[(E)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol, Casein kinase II subunit alpha, ...
Authors:Kinoshita, T, Tsuyuguchi, M.
Deposit date:2018-06-07
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Cell-based screen identifies a new potent and highly selective CK2 inhibitor for modulation of circadian rhythms and cancer cell growth.
Sci Adv, 5, 2019
5CBK
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BU of 5cbk by Molmil
Crystal structure of the strigolactone receptor ShHTL5 from Striga hermonthica
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Stogios, P.J, Onopriyenko, O, Yim, V, Savchenko, A.
Deposit date:2015-07-01
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.462 Å)
Cite:Structure-function analysis identifies highly sensitive strigolactone receptors in Striga.
Science, 350, 2015
1Q31
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BU of 1q31 by Molmil
Crystal Structure of the Tobacco Etch Virus Protease C151A mutant
Descriptor: BETA-MERCAPTOETHANOL, Nuclear inclusion protein A
Authors:Nunn, C.M, Djordjevic, S, George, R.R, Urquhart, G.T, Chao, L.H, Tsuchiya, Y.
Deposit date:2003-07-28
Release date:2004-11-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of tobacco etch virus protease shows the protein C terminus bound within the active site.
J.Mol.Biol., 350, 2005
7C8A
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BU of 7c8a by Molmil
Peroxiredoxin from Aeropyrum pernix K1 (ApPrx) C50S/F80C/C207S/C213S mutant modified with 2-(bromoacetyl)naphthalene(Naph@ApPrx*)
Descriptor: 1-naphthalen-2-ylethanone, CITRIC ACID, Peroxiredoxin
Authors:Himiyama, T, Nakamura, T.
Deposit date:2020-05-29
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rebuilding Ring-Type Assembly of Peroxiredoxin by Chemical Modification.
Bioconjug.Chem., 32, 2021
7CQJ
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BU of 7cqj by Molmil
Peroxiredoxin from Aeropyrum pernix K1 (ApPrx) C50S/K84A/C207S/C213S mutant (ApPrx*K84A)
Descriptor: Peroxiredoxin
Authors:Himiyama, T, Nakamura, T.
Deposit date:2020-08-11
Release date:2020-12-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Rebuilding Ring-Type Assembly of Peroxiredoxin by Chemical Modification.
Bioconjug.Chem., 32, 2021

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