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8I65
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BU of 8i65 by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with isoorotic acid (2,4-Dihydroxypyrimidine-5-carboxylic Acid), Form I
分子名称: 1,2-ETHANEDIOL, 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, Uracil-DNA glycosylase
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
8I6D
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BU of 8i6d by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form VI
分子名称: 1,2-ETHANEDIOL, 5-oxidanyl-1~{H}-pyrimidine-2,4-dione, DI(HYDROXYETHYL)ETHER, ...
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
8I6A
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BU of 8i6a by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Orotic acid, Form III
分子名称: 1,2-ETHANEDIOL, OROTIC ACID, Uracil-DNA glycosylase
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
8I6C
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BU of 8i6c by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 6-Formyl-uracil, Form III
分子名称: 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, Uracil-DNA glycosylase
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
8I64
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BU of 8i64 by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form II
分子名称: 1,2-ETHANEDIOL, BARBITURIC ACID, Uracil-DNA glycosylase
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
8I68
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BU of 8i68 by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Uric acid, Form III
分子名称: 1,2-ETHANEDIOL, URIC ACID, Uracil-DNA glycosylase
著者Raj, P, Paul, A, Gopal, B.
登録日2023-01-27
公開日2023-07-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
5XQN
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BU of 5xqn by Molmil
Crystal structure of Notched-fin eelpout type III antifreeze protein (NFE6, AFP), C2221 form.
分子名称: Ice-structuring protein, SULFATE ION
著者Adachi, M, Kondo, H, Tsuda, S.
登録日2017-06-07
公開日2018-05-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5XQR
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BU of 5xqr by Molmil
Crystal structure of Notched-fin eelpout type III antifreeze protein A20V mutant (NFE6, AFP), C2221 form
分子名称: ACETATE ION, Ice-structuring protein
著者Adachi, M, Shimizu, R, Shibazaki, C, Kondo, H, Tsuda, S.
登録日2017-06-07
公開日2018-05-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7OOK
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BU of 7ook by Molmil
Bacteriophage PRD1 Major Capsid Protein P3 in complex with CPZ
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, CHLORIDE ION, ...
著者Duyvesteyn, H.M.E, Peccati, F, Martinez-Castillo, A, Jimenez-Oses, G, Oksanen, H.M, Stuart, D.I, Abrescia, N.G.A.
登録日2021-05-27
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Bacteriophage PRD1 as a nanoscaffold for drug loading
Nanoscale, 13, 2021
5XQV
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BU of 5xqv by Molmil
Crystal structure of Notched-fin eelpout type III antifreeze protein A20L mutant (NFE6, AFP), P21 form
分子名称: Ice-structuring protein
著者Adachi, M, Shimizu, R, Shibazaki, C, Kondo, H, Tsuda, S.
登録日2017-06-07
公開日2018-05-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7PZM
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BU of 7pzm by Molmil
HBc-P5T in complex with X-100
分子名称: Capsid protein, FRAGMENT OF TRITON X-100
著者Makbul, C, Boettcher, B.
登録日2021-10-12
公開日2021-12-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Binding of a Pocket Factor to Hepatitis B Virus Capsids Changes the Rotamer Conformation of Phenylalanine 97.
Viruses, 13, 2021
7PDE
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BU of 7pde by Molmil
Structure of Adenylyl cyclase 9 in complex with Gs protein alpha subunit and MANT-GTP
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase 9, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Qi, C, Korkhov, V.M.
登録日2021-08-05
公開日2022-01-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural basis of adenylyl cyclase 9 activation.
Nat Commun, 13, 2022
7PDF
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BU of 7pdf by Molmil
focus refinement of soluble domain of adenylyl cyclase 9 in complex with Gs protein alpha subunit and MANT-GTP
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase 9, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Qi, C, Korkhov, V.M.
登録日2021-08-05
公開日2022-01-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis of adenylyl cyclase 9 activation.
Nat Commun, 13, 2022
6Y8F
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BU of 6y8f by Molmil
An inactive (D136N and D137N) variant of alpha-1,6-mannanase, GH76A of Salegentibacter sp. HEL1_6 in complex with alpha-1,6-mannotriose
分子名称: Alpha-1,6-endo-mannanase GH76A mutant, CALCIUM ION, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose
著者Hehemann, J.H, Solanki, V.A.
登録日2020-03-04
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.472 Å)
主引用文献Glycoside hydrolase from the GH76 family indicates that marine Salegentibacter sp. Hel_I_6 consumes alpha-mannan from fungi.
Isme J, 2022
6ZHK
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BU of 6zhk by Molmil
Crystal structure of adenosylmethionine-8-amino-7-oxononanoate aminotransferase from Methanocaldococcus jannaschii DSM 2661
分子名称: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, MAGNESIUM ION
著者Boyko, K.M, Nikolaeva, T.N, Stekhanova, T.N, Rakitina, T.V, Bezsudnova, E.Y, Popov, V.O.
登録日2020-06-23
公開日2020-07-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-Dimensional Structure of Thermostable D-Amino Acid Transaminase from the Archaeon Methanocaldococcus jannaschii DSM 2661
Crystallography Reports, 2021
8SKR
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BU of 8skr by Molmil
human liver mitochondrial Aspartate aminotransferase
分子名称: Aspartate aminotransferase, mitochondrial, PYRIDOXAL-5'-PHOSPHATE
著者Zhang, Z, Tringides, M.
登録日2023-04-20
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献High-Resolution Structural Proteomics of Mitochondria Using the 'Build and Retrieve' Methodology.
Mol.Cell Proteomics, 22, 2023
7SJC
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BU of 7sjc by Molmil
Crystal structure of dehaloperoxidase B in complex with gamma-terpinene
分子名称: 1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene, Dehaloperoxidase B, GLYCEROL, ...
著者Malewschik, T, Yun, D, de Serrano, V.S, Ghiladi, R.A.
登録日2021-10-17
公開日2022-11-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
7S3V
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BU of 7s3v by Molmil
Structure of HsKYNase_66, an evolved variant of human kynureninase with greatly increased activity towards kynurenine
分子名称: Kynureninase
著者Burkholder, N.T, Zhang, Y.J.
登録日2021-09-08
公開日2022-12-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.249 Å)
主引用文献Bypassing evolutionary dead ends and switching the rate-limiting step of a human immunotherapeutic enzyme.
Nat Catal, 5, 2022
6PC3
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BU of 6pc3 by Molmil
Crystal structure of Helicobacter pylori PPX/GppA in complex with GSP
分子名称: 1,2-ETHANEDIOL, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHLORIDE ION, ...
著者Song, H, Wang, C, Shaw, G.X, Ji, X.
登録日2019-06-15
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and activity of PPX/GppA homologs from Escherichia coli and Helicobacter pylori.
Febs J., 287, 2020
3LYF
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BU of 3lyf by Molmil
Crystal Structure of the Rift Valley Fever Virus Nucleocapsid Protein
分子名称: GLYCEROL, Nucleocapsid protein
著者Raymond, D.D, Smith, J.L.
登録日2010-02-26
公開日2010-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure of the Rift Valley fever virus nucleocapsid protein reveals another architecture for RNA encapsidation.
Proc.Natl.Acad.Sci.USA, 107, 2010
3M8D
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BU of 3m8d by Molmil
Crystal structure of spin-labeled BtuB V10R1 with bound calcium and cyanocobalamin
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CALCIUM ION, CYANOCOBALAMIN, ...
著者Freed, D.M, Horanyi, P.S, Wiener, M.C, Cafiso, D.S.
登録日2010-03-17
公開日2010-09-15
最終更新日2021-08-18
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Conformational exchange in a membrane transport protein is altered in protein crystals.
Biophys.J., 99, 2010
7SMP
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BU of 7smp by Molmil
CryoEM structure of NKCC1 Bu-I
分子名称: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid, POTASSIUM ION, Solute carrier family 12 member 2
著者Moseng, M.A.
登録日2021-10-26
公開日2022-09-28
最終更新日2023-05-31
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Inhibition mechanism of NKCC1 involves the carboxyl terminus and long-range conformational coupling.
Sci Adv, 8, 2022
7T13
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BU of 7t13 by Molmil
Hexameric HIV-1 (M-group) CA Q50Y mutant
分子名称: Capsid protein p24
著者Jacques, D.A, James, L.C.
登録日2021-12-01
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
7T12
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Hexameric HIV-1 (O-group) CA
分子名称: Capsid protein p24
著者Jacques, D.A, James, L.C.
登録日2021-12-01
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
7T15
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Hexameric SIVcpz CA
分子名称: Capsid protein p24
著者Jacques, D.A, Dickson, C.F, James, L.C.
登録日2021-12-01
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022

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件を2024-09-25に公開中

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