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PDB: 2911 results

6B34
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BU of 6b34 by Molmil
NMR ensemble of Tyrocidine A analogue AC3.27
Descriptor: Tyrocidine A analogue D-PHE-BE2-PHE-D-PHE-ASN-GLN-TYR-VAL-ORN-LEU
Authors:Cameron, A.J, Ewdards, P.J.B, Harjes, E, Sarojini, V.
Deposit date:2017-09-20
Release date:2017-12-06
Last modified:2023-11-15
Method:SOLUTION NMR
Cite: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
Descriptor: Tyrocidine A analogue D-PHE-BE2-PHE-D-PHE-ASN-LYS-TYR-VAL-ORN-LEU
Authors:Cameron, A.J, Ewdards, P.J.B, Harjes, E, Sarojini, V.
Deposit date:2017-09-20
Release date:2017-12-06
Last modified:2023-11-15
Method:SOLUTION NMR
Cite: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
Descriptor: VESICULAR STOMATITIS VIRUS L POLYMERASE, ZINC ION
Authors:Liang, B, Li, Z, Jenni, S, Rameh, A.A, Morin, B.M, Grant, T, Grigorieff, N, Harrison, S.C, Whelan, S.P.J.
Deposit date:2015-05-06
Release date:2015-08-19
Last modified:2019-04-24
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite: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
Descriptor: Protein IMPACT homolog
Authors:Harjes, E, Jameson, G.B, Edwards, P.J.B, Goroncy, A.K, Loo, T, Norris, G.E.
Deposit date:2017-11-27
Release date:2018-11-28
Last modified:2024-05-15
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite: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
Descriptor: AAEL006007-PA
Authors:Torquato, R.J.S, Pereira, P.J.B, Tanaka, A.S.
Deposit date:2015-08-19
Release date:2016-09-07
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: ACETIC ACID, CADMIUM ION, PEPTIDE AMIDASE
Authors: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.
Deposit date:2015-08-11
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: (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
Authors:Fong, R, Lupardus, P.J.
Deposit date:2019-02-11
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: Roseltide rT7
Authors:Fan, J.S, Kam, A, Loo, S, Yang, D, Tam, P.J.
Deposit date:2019-07-30
Release date:2019-11-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: 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
Authors:Brown, D.G, Lupardus, P.J.
Deposit date:2019-05-21
Release date:2020-07-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Serine protease HTRA2, mitochondrial
Authors:Merski, M, Barbosa Pereira, P.J, Macedo-Ribeiro, S.
Deposit date:2016-10-15
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 1-[4-(cyanomethyl)-1-[(3-oxidanyl-4-phenyl-phenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1
Authors:Brown, D.G, Lupardus, P.J.
Deposit date:2019-05-21
Release date:2020-07-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite: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
Descriptor: 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
Authors:Brown, D.G, Lupardus, P.J.
Deposit date:2019-05-21
Release date:2020-07-08
Method:X-RAY DIFFRACTION (1.71 Å)
Cite: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.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Urea amidohydrolase
Authors: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.
Deposit date:2021-10-13
Release date:2022-11-02
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
Authors:Stogios, P.J, Evdokimova, E, Di Leo, R, Fedorchuk, T, Khusnutdinova, A, Yakunin, A.F, Savchenko, A.
Deposit date:2019-05-15
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite: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
Descriptor: 1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1
Authors:Brown, D.G, Lupardus, P.J.
Deposit date:2019-05-21
Release date:2020-07-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: cs207AB
Authors:Bera, A.K, Leung, P.J.Y, Baker, D.
Deposit date:2022-12-16
Release date:2023-08-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.66 Å)
Cite: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
Descriptor: cs207A
Authors:Bera, A.K, Leung, P.J.Y, Baker, D.
Deposit date:2022-12-16
Release date:2023-08-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: DIETHYLSTILBESTROL, GLYCEROL, SULFATE ION, ...
Authors:Morais-de-Sa, E.M, Pereira, P.J.B, Saraiva, M.J, Damas, A.M.
Deposit date:2004-06-22
Release date:2004-10-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: ACETATE ION, CARBONATE ION, DIETHYLSTILBESTROL, ...
Authors:Morais-de-Sa, E.M, Pereira, P.J.B, Saraiva, M.J, Damas, A.M.
Deposit date:2004-07-09
Release date:2004-10-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: ALA-CYS-PHE-LEU-THR-ARG-LEU-GLY-THR-TYR-VAL-CYS
Authors: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.
Deposit date:2018-01-11
Release date:2019-01-09
Last modified:2023-06-14
Method:SOLUTION NMR
Cite: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
Descriptor: Dynamin-1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Authors:Liu, J.W, Zhang, P.J.
Deposit date:2020-11-09
Release date:2021-11-10
Method:ELECTRON MICROSCOPY (3.74 Å)
Cite: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
Descriptor: T-CELL RECEPTOR ALPHA CHAIN C REGION, T-CELL RECEPTOR BETA CHAIN C REGION
Authors: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.
Deposit date:2005-04-04
Release date:2005-05-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AGAP008004-PA, Prothrombin, ...
Authors:Ripoll-Rozada, J, Pereira, P.J.B.
Deposit date:2017-03-22
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, SYNTHETIC PEPTIDE, ...
Authors: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.
Deposit date:2005-03-31
Release date:2005-05-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Serine protease HTRA2, mitochondrial
Authors:Merski, M, Pereira, P.J.B, Macedo-Ribeiro, S.
Deposit date:2016-10-15
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Molecular motion regulates the activity of the Mitochondrial Serine Protease HtrA2.
Cell Death Dis, 8, 2017

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