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5EKQ
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BU of 5ekq by Molmil
The structure of the BamACDE subcomplex from E. coli
分子名称: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, Outer membrane protein assembly factor BamD, ...
著者Bakelar, J, Buchanan, S.K, Noinaj, N.
登録日2015-11-04
公開日2016-01-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.392 Å)
主引用文献The structure of the beta-barrel assembly machinery complex.
Science, 351, 2016
7Z5G
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BU of 7z5g by Molmil
human apo MATCAP
分子名称: Uncharacterized protein KIAA0895-like
著者Bak, J, Adamoupolos, A, Heidebrecht, T, Perrakis, A.
登録日2022-03-09
公開日2022-05-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.113 Å)
主引用文献Posttranslational modification of microtubules by the MATCAP detyrosinase.
Science, 376, 2022
7Z6S
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BU of 7z6s by Molmil
MATCAP bound to a human 14 protofilament microtubule
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Bak, J, Perrakis, A.
登録日2022-03-14
公開日2022-05-11
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Posttranslational modification of microtubules by the MATCAP detyrosinase.
Science, 376, 2022
7Z5H
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BU of 7z5h by Molmil
human Zn MATCAP
分子名称: Uncharacterized protein KIAA0895-like, ZINC ION
著者Bak, J, Adamopoulos, A, Heidebrecht, T, Perrakis, A.
登録日2022-03-09
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Posttranslational modification of microtubules by the MATCAP detyrosinase.
Science, 376, 2022
7KQY
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BU of 7kqy by Molmil
Crystal Structure and Characterization of Human Heavy-Chain only Antibodies reveals a novel, stable dimeric structure similar to Monoclonal Antibodies
分子名称: Heavy-Chain only Human Antibodies
著者Bahmanjah, S, Mieczkowski, C, Yu, Y, Baker, J, Raghunathan, G, Tomazela, D, Hsieh, M, Mccoy, M, Strickland, C, Fayadat-Dilman, L.
登録日2020-11-18
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.913 Å)
主引用文献Crystal Structure and Characterization of Human Heavy-Chain Only Antibodies Reveals a Novel, Stable Dimeric Structure Similar to Monoclonal Antibodies.
Antibodies, 9, 2020
1S17
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BU of 1s17 by Molmil
Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors
分子名称: 2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE, GLYCEROL, NICKEL (II) ION, ...
著者Molteni, V, He, X, Nabakka, J, Yang, K, Kreusch, A, Gordon, P, Bursulaya, B, Ryder, N.S, Goldberg, R, He, Y.
登録日2004-01-05
公開日2004-03-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Identification of novel potent bicyclic peptide deformylase inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
4I5M
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BU of 4i5m by Molmil
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain
分子名称: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK2
著者Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P, Neitz, R.J, Yao, N, Lin, M, Tonn, G, Zhang, H, Bova, M.P, Ren, Z, Tam, D, Ruslim, L, Baker, J, Diep, L, Fitzgerald, K, Hoffman, J, Motter, R, Fauss, D, Tanaka, P, Dappen, M, Jagodzinski, J, Chan, W, Konradi, A.W, Latimer, L, Zhu, Y.L, Artis, D.R, Sham, H.L, Anderson, J.P, Bergeron, M.
登録日2012-11-28
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
4IFJ
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BU of 4ifj by Molmil
Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
分子名称: Kelch-like ECH-associated protein 1
著者Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R.
登録日2012-12-14
公開日2014-08-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
To be Published
4IFN
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BU of 4ifn by Molmil
Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
分子名称: (1R,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, kelch-like ECH-associated protein 1
著者Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R.
登録日2012-12-14
公開日2013-12-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
Acta Crystallogr.,Sect.D
4IFL
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BU of 4ifl by Molmil
Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
分子名称: Nrf2 peptide, kelch-like ECH-associated protein 1
著者Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R.
登録日2012-12-14
公開日2013-12-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes
Acta Crystallogr.,Sect.D
5T1S
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BU of 5t1s by Molmil
Irak4 kinase - compound 1 co-structure
分子名称: 5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol, Interleukin-1 receptor-associated kinase 4
著者Fischmann, T.O.
登録日2016-08-22
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation.
Bioorg. Med. Chem. Lett., 27, 2017
5T1T
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BU of 5t1t by Molmil
Irak4 kinase - compound 1 co-structure
分子名称: Interleukin-1 receptor-associated kinase 4, ~{N},~{N}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine
著者Fischmann, T.O.
登録日2016-08-22
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation.
Bioorg. Med. Chem. Lett., 27, 2017
4Y73
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BU of 4y73 by Molmil
Crystal structure of IRAK4 kinase domain with inhibitor
分子名称: 5-{[(1R,2S)-2-aminocyclohexyl]amino}-N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Interleukin-1 receptor-associated kinase 4
著者Lesburg, C.A.
登録日2015-02-13
公開日2015-05-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Discovery of 5-Amino-N-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Inhibitors of IRAK4.
Acs Med.Chem.Lett., 6, 2015
6QMH
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BU of 6qmh by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 3-(1H-indol-3-yl)propanoic acid at 1.6A resolution.
分子名称: 5-[3-(1~{H}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
著者Blaszczyk, M, Blundell, T.L.
登録日2019-02-07
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.837 Å)
主引用文献Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors
To Be Published
6QMF
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BU of 6qmf by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 5-[3-(1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid at 1.8A resolution.
分子名称: 3-indol-1-ylpropanoic acid, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase
著者Blaszczyk, M, Blundell, T.L.
登録日2019-02-07
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.771 Å)
主引用文献Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors
To Be Published
6QMI
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BU of 6qmi by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 3-(1H-indol-1-yl)propanoic acid at 1.7A resolution.
分子名称: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
著者Blaszczyk, M, Blundell, T.L.
登録日2019-02-07
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.781 Å)
主引用文献Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors
To Be Published
6QMG
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BU of 6qmg by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid at 1.8A resolution.
分子名称: INDOLYLPROPIONIC ACID, Phosphopantetheine adenylyltransferase
著者Blaszczyk, M, Blundell, T.L.
登録日2019-02-07
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors
To Be Published
8DS5
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BU of 8ds5 by Molmil
X-ray structure of the MK5890 Fab - CD27 antibody-antigen complex
分子名称: CADMIUM ION, CD27 antigen, MK-5890 Fab heavy chain, ...
著者Fischmann, T.O.
登録日2022-07-21
公開日2022-09-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.926 Å)
主引用文献Preclinical characterization and clinical translation of pharmacodynamic markers for MK-5890: a human CD27 activating antibody for cancer immunotherapy.
J Immunother Cancer, 10, 2022
7P1E
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BU of 7p1e by Molmil
Structure of KDNase from Aspergillus Terrerus in complex with 2,3-difluoro-2-keto-3-deoxynononic acid
分子名称: (2R,3R,4R,5R,6S)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, CALCIUM ION, ...
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-01
公開日2021-10-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1B
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BU of 7p1b by Molmil
Apo structure of KDNase from Aspergillus Terrerus
分子名称: Sialidase domain-containing protein
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-01
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1O
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BU of 7p1o by Molmil
Structure of KDNase from Aspergillus Terrerus in complex with 2-keto-3-deoxynononic acid
分子名称: CHLORIDE ION, GLYCEROL, Sialidase domain-containing protein, ...
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-02
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1S
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BU of 7p1s by Molmil
Structure of KDNase from Trichophyton Rubrum in complex with 2,3-didehydro-2,3-dideoxy-D-glycero-D-galacto-nonulosonic acid.
分子名称: 2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid, Extracellular sialidase/neuraminidase, SODIUM ION
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-02
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1F
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BU of 7p1f by Molmil
Structure of KDNase from Aspergillus terrerus in complex with 2,3-didehydro-2,3-dideoxy-D-glycero-D-galacto-nonulosonic acid.
分子名称: 2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, GLYCEROL, ...
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-01
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1U
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BU of 7p1u by Molmil
Structure of KDNase from Trichophyton Rubrum in complex with 2-keto-3-deoxynononic acid
分子名称: Extracellular sialidase/neuraminidase, GLYCEROL, deamino-alpha-neuraminic acid
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-02
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1Q
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BU of 7p1q by Molmil
Structure of KDNase from Trichophyton Rubrum in complex with 2-keto-3-deoxynononic acid
分子名称: Extracellular sialidase/neuraminidase, GLYCEROL, deamino-alpha-neuraminic acid
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-02
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.91 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021

 

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