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PDB: 2911 件
6B34
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BU of 6b34 by Molmil
NMR ensemble of Tyrocidine A analogue AC3.27
分子名称: Tyrocidine A analogue D-PHE-BE2-PHE-D-PHE-ASN-GLN-TYR-VAL-ORN-LEU
著者Cameron, A.J, Ewdards, P.J.B, Harjes, E, Sarojini, V.
登録日2017-09-20
公開日2017-12-06
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Tyrocidine A Analogues Bearing the Planar d-Phe-2-Abz Turn Motif: How Conformation Impacts Bioactivity.
J. Med. Chem., 60, 2017
6B35
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BU of 6b35 by Molmil
NMR ensemble of Tyrocidine A analogue AC3.28
分子名称: Tyrocidine A analogue D-PHE-BE2-PHE-D-PHE-ASN-LYS-TYR-VAL-ORN-LEU
著者Cameron, A.J, Ewdards, P.J.B, Harjes, E, Sarojini, V.
登録日2017-09-20
公開日2017-12-06
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Tyrocidine A Analogues Bearing the Planar d-Phe-2-Abz Turn Motif: How Conformation Impacts Bioactivity.
J. Med. Chem., 60, 2017
5A22
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BU of 5a22 by Molmil
Structure of the L protein of vesicular stomatitis virus from electron cryomicroscopy
分子名称: VESICULAR STOMATITIS VIRUS L POLYMERASE, ZINC ION
著者Liang, B, Li, Z, Jenni, S, Rameh, A.A, Morin, B.M, Grant, T, Grigorieff, N, Harrison, S.C, Whelan, S.P.J.
登録日2015-05-06
公開日2015-08-19
最終更新日2019-04-24
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of the L Protein of Vesicular Stomatitis Virus from Electron Cryomicroscopy.
Cell(Cambridge,Mass.), 162, 2015
6BQI
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BU of 6bqi by Molmil
Structure of two-domain translational regulator Yih1 reveals a possible mechanism of action
分子名称: Protein IMPACT homolog
著者Harjes, E, Jameson, G.B, Edwards, P.J.B, Goroncy, A.K, Loo, T, Norris, G.E.
登録日2017-11-27
公開日2018-11-28
最終更新日2024-05-15
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献Experimentally based structural model of Yih1 provides insight into its function in controlling the key translational regulator Gcn2.
Febs Lett., 2020
5DAE
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BU of 5dae by Molmil
Kazal type inhibitor from salivary glands of Aedes aegypti mosquito
分子名称: AAEL006007-PA
著者Torquato, R.J.S, Pereira, P.J.B, Tanaka, A.S.
登録日2015-08-19
公開日2016-09-07
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High-resolution structure of a Kazal-type serine protease inhibitor from the dengue vector Aedes aegypti.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5AC3
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BU of 5ac3 by Molmil
Crystal structure of PAM12A
分子名称: ACETIC ACID, CADMIUM ION, PEPTIDE AMIDASE
著者Wu, B, Wijma, H.J, Song, L, Rozeboom, H.J, Poloni, C, Tian, Y, Arif, M.I, Nuijens, T, Quadflieg, P.J.L.M, Szymanski, W, Feringa, B.L, Janssen, D.B.
登録日2015-08-11
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Versatile Peptide C-Terminal Functionalization Via a Computationally Peptide Amidase
Acs Catalysis, 2016
6NYH
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BU of 6nyh by Molmil
Structure of human RIPK1 kinase domain in complex with GNE684
分子名称: (5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1
著者Fong, R, Lupardus, P.J.
登録日2019-02-11
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献RIP1 inhibition blocks inflammatory diseases but not tumor growth or metastases.
Cell Death Differ., 27, 2020
6KLM
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BU of 6klm by Molmil
NMR solution structure of Roseltide rT7
分子名称: Roseltide rT7
著者Fan, J.S, Kam, A, Loo, S, Yang, D, Tam, P.J.
登録日2019-07-30
公開日2019-11-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Roseltide rT7 is a disulfide-rich, anionic, and cell-penetrating peptide that inhibits proteasomal degradation.
J.Biol.Chem., 294, 2019
6RSE
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BU of 6rse by Molmil
Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
分子名称: Tyrosine-protein kinase JAK1, methyl ~{N}-[4-aminocarbonyl-1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[(4-ethenyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-3-fluoranyl-piperidin-4-yl]pyrazol-3-yl]carbamate
著者Brown, D.G, Lupardus, P.J.
登録日2019-05-21
公開日2020-07-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
To Be Published
5M3O
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BU of 5m3o by Molmil
HTRA2 A141S mutant structure
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Serine protease HTRA2, mitochondrial
著者Merski, M, Barbosa Pereira, P.J, Macedo-Ribeiro, S.
登録日2016-10-15
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular motion regulates the activity of the Mitochondrial Serine Protease HtrA2.
Cell Death Dis, 8, 2017
6RSD
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BU of 6rsd by Molmil
Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
分子名称: 1-[4-(cyanomethyl)-1-[(3-oxidanyl-4-phenyl-phenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1
著者Brown, D.G, Lupardus, P.J.
登録日2019-05-21
公開日2020-07-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
To Be Published
6RSH
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BU of 6rsh by Molmil
Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
分子名称: 1-[(3~{R},4~{R})-4-(cyanomethyl)-3-fluoranyl-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1
著者Brown, D.G, Lupardus, P.J.
登録日2019-05-21
公開日2020-07-08
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
To Be Published
7PZT
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BU of 7pzt by Molmil
Structure of the bacterial toxin, TecA, an asparagine deamidase from Alcaligenes faecalis.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Urea amidohydrolase
著者Dix, S.R, Aziz, A.A, Baker, P.J, Evans, C.A, Dickman, M.J, Farthing, R.J, King, Z.L.S, Nathan, S, Partridge, L.J, Raih, F.M, Sedelnikova, S.E, Thomas, M.S, Rice, D.W.
登録日2021-10-13
公開日2022-11-02
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The structure of A. faecalis TecA provides insights into its role as an asparagine deamidase toxin which targets RhoA
To Be Published
6OZ1
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BU of 6oz1 by Molmil
Crystal structure of the adenylation (A) domain of the carboxylate reductase (CAR) GR01_22995 from Mycobacterium chelonae
分子名称: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
著者Stogios, P.J, Evdokimova, E, Di Leo, R, Fedorchuk, T, Khusnutdinova, A, Yakunin, A.F, Savchenko, A.
登録日2019-05-15
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献One-Pot Biocatalytic Transformation of Adipic Acid to 6-Aminocaproic Acid and 1,6-Hexamethylenediamine Using Carboxylic Acid Reductases and Transaminases.
J.Am.Chem.Soc., 142, 2020
6RSC
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BU of 6rsc by Molmil
Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
分子名称: 1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1
著者Brown, D.G, Lupardus, P.J.
登録日2019-05-21
公開日2020-07-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
To Be Published
8FIQ
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BU of 8fiq by Molmil
Multi-state design of two-state switchable hinge proteins
分子名称: cs207AB
著者Bera, A.K, Leung, P.J.Y, Baker, D.
登録日2022-12-16
公開日2023-08-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Design of stimulus-responsive two-state hinge proteins.
Science, 381, 2023
8FIN
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BU of 8fin by Molmil
Multi-state design of two-state switchable hinge proteins
分子名称: cs207A
著者Bera, A.K, Leung, P.J.Y, Baker, D.
登録日2022-12-16
公開日2023-08-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design of stimulus-responsive two-state hinge proteins.
Science, 381, 2023
1TT6
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BU of 1tt6 by Molmil
The orthorhombic crystal structure of transthyretin in complex with diethylstilbestrol
分子名称: DIETHYLSTILBESTROL, GLYCEROL, SULFATE ION, ...
著者Morais-de-Sa, E.M, Pereira, P.J.B, Saraiva, M.J, Damas, A.M.
登録日2004-06-22
公開日2004-10-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structure of transthyretin in complex with diethylstilbestrol: a promising template for the design of amyloid inhibitors
J.Biol.Chem., 279, 2004
1TZ8
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BU of 1tz8 by Molmil
The monoclinic crystal structure of transthyretin in complex with diethylstilbestrol
分子名称: ACETATE ION, CARBONATE ION, DIETHYLSTILBESTROL, ...
著者Morais-de-Sa, E.M, Pereira, P.J.B, Saraiva, M.J, Damas, A.M.
登録日2004-07-09
公開日2004-10-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The crystal structure of transthyretin in complex with diethylstilbestrol: a promising template for the design of amyloid inhibitors
J.Biol.Chem., 279, 2004
6FGM
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BU of 6fgm by Molmil
The NMR solution structure of the peptide AC12 from Hypsiboas raniceps
分子名称: ALA-CYS-PHE-LEU-THR-ARG-LEU-GLY-THR-TYR-VAL-CYS
著者Popov, C.S.F.C, Simas, B.S, Goodfellow, B.J, Bocca, A.L, Andrade, P.B, Pereira, D, Valentao, P, Pereira, P.J.B, Rodrigues, J.E, Veloso Jr, P.H.H, Rezende, T.M.B.
登録日2018-01-11
公開日2019-01-09
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Host-defense peptides AC12, DK16 and RC11 with immunomodulatory activity isolated from Hypsiboas raniceps skin secretion.
Peptides, 113, 2019
7AX3
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BU of 7ax3 by Molmil
CryoEM structure of the super-constricted two-start dynamin 1 filament
分子名称: Dynamin-1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
著者Liu, J.W, Zhang, P.J.
登録日2020-11-09
公開日2021-11-10
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献CryoEM structure of the super-constricted two-start dynamin 1 filament.
Nat Commun, 12, 2021
2BNU
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BU of 2bnu by Molmil
Structural and kinetic basis for heightened immunogenicity of T cell vaccines
分子名称: T-CELL RECEPTOR ALPHA CHAIN C REGION, T-CELL RECEPTOR BETA CHAIN C REGION
著者Chen, J.-L, Stewart-Jones, G, Bossi, G, Lissin, N.M, Wooldridge, L, Choi, E.M.L, Held, G, Dunbar, P.R, Esnouf, R.M, Sami, M, Boultier, J.M, Rizkallah, P.J, Renner, C, Sewell, A, Van Der Merwe, P.A, Jackobsen, B.K, Griffiths, G, Jones, E.Y, Cerundolo, V.
登録日2005-04-04
公開日2005-05-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and Kinetic Basis for Heightened Immunogenicity of T Cell Vaccines.
J.Exp.Med., 201, 2005
5NHU
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BU of 5nhu by Molmil
HUMAN ALPHA THROMBIN COMPLEXED WITH ANOPHELES GAMBIAE cE5 ANTICOAGULANT
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, AGAP008004-PA, Prothrombin, ...
著者Ripoll-Rozada, J, Pereira, P.J.B.
登録日2017-03-22
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Functional analyses yield detailed insight into the mechanism of thrombin inhibition by the antihemostatic salivary protein cE5 from Anopheles gambiae.
J. Biol. Chem., 292, 2017
2BNQ
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BU of 2bnq by Molmil
Structural and kinetic basis for heightened immunogenicity of T cell vaccines
分子名称: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, SYNTHETIC PEPTIDE, ...
著者Chen, J.-L, Stewart-Jones, G, Bossi, G, Lissin, N.M, Wooldridge, L, Choi, E.M.L, Held, G, Dunbar, P.R, Esnouf, R.M, Sami, M, Boultier, J.M, Rizkallah, P.J, Renner, C, Sewell, A, van der Merwe, P.A, Jackobsen, B.K, Griffiths, G, Jones, E.Y, Cerundolo, V.
登録日2005-03-31
公開日2005-05-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Kinetic Basis for Heightened Immunogenicity of T Cell Vaccines
J.Exp.Med., 201, 2005
5M3N
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BU of 5m3n by Molmil
HTRA2 wild-type structure
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Serine protease HTRA2, mitochondrial
著者Merski, M, Pereira, P.J.B, Macedo-Ribeiro, S.
登録日2016-10-15
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.649 Å)
主引用文献Molecular motion regulates the activity of the Mitochondrial Serine Protease HtrA2.
Cell Death Dis, 8, 2017

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件を2024-08-14に公開中

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