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1YV6
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BU of 1yv6 by Molmil
X-ray structure of M23L onconase at 298K
分子名称: P-30 protein, SULFATE ION
著者Merlino, A, Mazzarella, L, Carannante, A, Di Fiore, A, Di Donato, A, Notomista, E, Sica, F.
登録日2005-02-15
公開日2005-03-01
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The Importance of Dynamic Effects on the Enzyme Activity: X-RAY STRUCTURE AND MOLECULAR DYNAMICS OF ONCONASE MUTANTS
J.Biol.Chem., 280, 2005
5Z8Y
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BU of 5z8y by Molmil
Crystal structure of human LRRTM2 in complex with Neurexin 1beta
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Yamagata, A, Fukai, S.
登録日2018-02-01
公開日2018-10-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural insights into modulation and selectivity of transsynaptic neurexin-LRRTM interaction.
Nat Commun, 9, 2018
5X93
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BU of 5x93 by Molmil
Human endothelin receptor type-B in complex with antagonist K-8794
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxy-N-(2,6-dimethylphenyl)propanamide, CHOLESTEROL, ...
著者Shihoya, W, Nishizawa, T, Yamashita, K, Hirata, K, Okuta, A, Tani, K, Fujiyoshi, Y, Doi, T, Nureki, O.
登録日2017-03-05
公開日2017-08-16
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray structures of endothelin ETB receptor bound to clinical antagonist bosentan and its analog
Nat. Struct. Mol. Biol., 24, 2017
6KIP
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BU of 6kip by Molmil
Crystal structure of PTPRD phosphatase domain in complex with Liprin-alpha3 tandem SAM domains
分子名称: Liprin-alpha-3, Receptor-type tyrosine-protein phosphatase delta
著者Wakita, M, Yamagata, A, Fukai, S.
登録日2019-07-19
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.911 Å)
主引用文献Structural insights into selective interaction between type IIa receptor protein tyrosine phosphatases and Liprin-alpha.
Nat Commun, 11, 2020
5XB3
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BU of 5xb3 by Molmil
ADP-dTMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
分子名称: ADENOSINE-5'-DIPHOSPHATE, THYMIDINE-5'-PHOSPHATE, Thymidylate kinase
著者Biswas, A, Jeyakanthan, J, Sekar, K.
登録日2017-03-15
公開日2017-06-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate
FEBS J., 284, 2017
5ZI7
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BU of 5zi7 by Molmil
Crystal structure of Legionella pneumophila aminopeptidase A in complex with glutamic acid
分子名称: Aminopeptidase N, GLUTAMIC ACID
著者Marapaka, A.K, Addlagatta, A.
登録日2018-03-14
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Discovery, Structural and Biochemical Studies of a rare Glu/Asp Specific M1 Class Aminopeptidase from Legionella pneumophila
Int. J. Biol. Macromol., 120, 2018
5Z3A
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BU of 5z3a by Molmil
Glycosidase Wild Type
分子名称: CITRIC ACID, GLYCEROL, Glycoside hydrolase 15-related protein
著者Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A.
登録日2018-01-05
公開日2019-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
5YVR
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BU of 5yvr by Molmil
Crystal Structure of the H277A mutant of ADH/D1, an archaeal halo-thermophilic Red Sea brine pool alcohol dehydrogenase
分子名称: MANGANESE (II) ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, alcohol dehydrogenase
著者Groetzinger, S.W, Strillinger, E, Frank, A, Eppinger, J, Groll, M, Arold, S.T.
登録日2017-11-27
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Identification and Experimental Characterization of an Extremophilic Brine Pool Alcohol Dehydrogenase from Single Amplified Genomes
ACS Chem. Biol., 13, 2018
5YVM
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BU of 5yvm by Molmil
Crystal Structure of the archaeal halo-thermophilic Red Sea brine pool alcohol dehydrogenase ADH/D1 bound to NZQ
分子名称: 5,6-DIHYDROXY-NADP, MANGANESE (II) ION, alcohol dehydrogenase
著者Groetzinger, S.W, Strillinger, E, Frank, A, Eppinger, J, Groll, M, Arold, S.T.
登録日2017-11-26
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Identification and Experimental Characterization of an Extremophilic Brine Pool Alcohol Dehydrogenase from Single Amplified Genomes
ACS Chem. Biol., 13, 2018
5Z3E
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BU of 5z3e by Molmil
Glycosidase E335A
分子名称: CITRIC ACID, GLYCEROL, Glycoside hydrolase 15-related protein
著者Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A.
登録日2018-01-05
公開日2019-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
5Z3F
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BU of 5z3f by Molmil
Glycosidase E335A in complex with glucose
分子名称: CITRIC ACID, GLYCEROL, Glycoside hydrolase 15-related protein, ...
著者Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A.
登録日2018-01-05
公開日2019-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
4PYY
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BU of 4pyy by Molmil
Crystal structure of human carbonic anhydrase isozyme II with inhibitor
分子名称: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-03-28
公開日2015-01-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014
3ZI8
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BU of 3zi8 by Molmil
Structure of the R17A mutant of the Ralstonia soleanacerum lectin at 1.5 Angstrom in complex with L-fucose
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, MAGNESIUM ION, PUTATIVE FUCOSE-BINDING LECTIN PROTEIN, ...
著者Arnaud, J, Audfray, A, Claudinon, J, Trondle, K, Trosvalet, M, Thomas, A, Varrot, A, Romer, W, Imberty, A.
登録日2013-01-07
公開日2013-07-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Reduction of Lectin Valency Drastically Changes Glycolipid Dynamics in Membranes, But not Surface Avidity.
Acs Chem.Biol., 8, 2013
3ZM9
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BU of 3zm9 by Molmil
The mechanism of allosteric coupling in choline kinase a1 revealed by a rationally designed inhibitor
分子名称: 1-(4-(4-(4-((6-amino-9H-purin-9-yl)methyl)phenyl)butyl)benzyl)-4- (dimethylamino)pyridinium, CHOLINE KINASE ALPHA
著者Sahun-Roncero, M, Rubio-Ruiz, B, Saladino, G, Conejo-Garcia, A, Espinosa, A, Velazquez-Campoy, A, Gervasio, F.L, Entrena, A, Hurtado-Guerrero, R.
登録日2013-02-06
公開日2013-02-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Mechanism of Allosteric Coupling in Choline Kinase A1 Revealed by a Rationally Designed Inhibitor
Angew.Chem.Int.Ed.Engl., 52, 2013
5ZIE
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BU of 5zie by Molmil
Crystal structure of Legionella pneumophila aminopeptidase A in complex with aspartic acid
分子名称: ASPARTIC ACID, Aminopeptidase N
著者Marapaka, A.K, Addlagatta, A.
登録日2018-03-14
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery, Structural and Biochemical Studies of a rare Glu/Asp Specific M1 Class Aminopeptidase from Legionella pneumophila
Int. J. Biol. Macromol., 120, 2018
1QXZ
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BU of 1qxz by Molmil
Crystal structure of S. aureus methionine aminopeptidase in complex with a ketoheterocycle inhibitor 119
分子名称: (2S)-2-AMINO-4-(METHYLSULFANYL)-1-(1,3-THIAZOL-2-YL)BUTANE-1,1-DIOL, COBALT (II) ION, methionyl aminopeptidase
著者Douangamath, A, Dale, G.E, D'Arcy, A, Oefner, C.
登録日2003-09-09
公開日2004-03-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structures of staphylococcusaureus methionine aminopeptidase complexed with keto heterocycle and aminoketone inhibitors reveal the formation of a tetrahedral intermediate.
J.Med.Chem., 47, 2004
1YV7
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BU of 1yv7 by Molmil
X-ray structure of (C87S,des103-104) onconase
分子名称: P-30 protein, SULFATE ION
著者Merlino, A, Mazzarella, L, Carannante, A, Di Fiore, A, Di Donato, A, Notomista, E, Sica, F.
登録日2005-02-15
公開日2005-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Importance of Dynamic Effects on the Enzyme Activity: X-RAY STRUCTURE AND MOLECULAR DYNAMICS OF ONCONASE MUTANTS
J.Biol.Chem., 280, 2005
1QXW
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BU of 1qxw by Molmil
Crystal structure of Staphyloccocus aureus in complex with an aminoketone inhibitor 54135.
分子名称: (3S)-3-AMINO-1-(CYCLOPROPYLAMINO)HEPTANE-2,2-DIOL, ACETATE ION, COBALT (II) ION, ...
著者Douangamath, A, Dale, G.E, D'Arcy, A, Oefner, C.
登録日2003-09-09
公開日2004-03-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Crystal structures of staphylococcusaureus methionine aminopeptidase complexed with keto heterocycle and aminoketone inhibitors reveal the formation of a tetrahedral intermediate.
J.Med.Chem., 47, 2004
1QXY
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BU of 1qxy by Molmil
Crystal structure of S. aureus methionine aminopeptidase in complex with a ketoheterocycle 618
分子名称: (2S)-2-AMINO-4-(METHYLSULFANYL)-1-PYRIDIN-2-YLBUTANE-1,1-DIOL, ACETATE ION, COBALT (II) ION, ...
著者Douangamath, A, Dale, G.E, D'Arcy, A, Oefner, C.
登録日2003-09-09
公開日2004-03-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Crystal structures of staphylococcusaureus methionine aminopeptidase complexed with keto heterocycle and aminoketone inhibitors reveal the formation of a tetrahedral intermediate.
J.Med.Chem., 47, 2004
7R4O
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BU of 7r4o by Molmil
Structure of human hydroxyacid oxidase 1 bound with 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one
分子名称: 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
著者Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
登録日2022-02-08
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide
To Be Published
5DM6
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BU of 5dm6 by Molmil
Crystal structure of the 50S ribosomal subunit from Deinococcus radiodurans
分子名称: 23S ribosomal RNA, 50S ribosomal protein L1, 50S ribosomal protein L11, ...
著者Kaminishi, T, Schedlbauer, A, Ochoa-Lizarralde, B, Connell, S.R, Fucini, P.
登録日2015-09-08
公開日2015-11-11
最終更新日2016-02-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystallographic characterization of the ribosomal binding site and molecular mechanism of action of Hygromycin A.
Nucleic Acids Res., 43, 2015
7R4P
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BU of 7r4p by Molmil
Structure of human hydroxyacid oxidase 1 bound with 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione
分子名称: 6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
著者Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
登録日2022-02-09
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide
To Be Published
4ZQ0
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BU of 4zq0 by Molmil
crystal structure of Giardia 14-3-3 in complex with the phosphopeptide A8Ap
分子名称: 14-3-3 protein, A8Ap phosphopeptide, PHOSPHATE ION
著者Fiorillo, A, Ilari, A.
登録日2015-05-08
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Molecular Dynamics Simulations and Structural Analysis of Giardia duodenalis 14-3-3 Protein-Protein Interactions.
J.Chem.Inf.Model., 55, 2015
8SUJ
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BU of 8suj by Molmil
Joint X-ray/neutron structure of Thermus thermophilus serine hydroxymethyltransferase (TthSHMT) in internal aldimine state
分子名称: SULFATE ION, Serine hydroxymethyltransferase
著者Drago, V.N, Kovalevsky, A.
登録日2023-05-12
公開日2023-08-16
最終更新日2023-11-15
実験手法NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION
主引用文献Revealing protonation states and tracking substrate in serine hydroxymethyltransferase with room-temperature X-ray and neutron crystallography.
Commun Chem, 6, 2023
6ZK7
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BU of 6zk7 by Molmil
Crystal Structure of human PYROXD1/FAD complex
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Pyridine nucleotide-disulfide oxidoreductase domain-containing protein 1
著者Meinhart, A, Asanovic, I, Martinez, J, Clausen, T.
登録日2020-06-30
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The oxidoreductase PYROXD1 uses NAD(P) + as an antioxidant to sustain tRNA ligase activity in pre-tRNA splicing and unfolded protein response.
Mol.Cell, 81, 2021

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