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8PJU
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BU of 8pju by Molmil
Crystal structure of the computationally designed SAKe6DEtal protein
Descriptor: SAKe6DEtal
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Computational design of the SAKe scaffold proteins
To Be Published
5EMB
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BU of 5emb by Molmil
Crystal structure of the SNX27 PDZ domain bound to the C-terminal phosphorylated PTHR PDZ binding motif
Descriptor: GLU-GLU-TRP-SEP-THR-VAL-MET, Sorting nexin-27
Authors:Collins, B.M, Clairfeuille, T.
Deposit date:2015-11-06
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:A molecular code for endosomal recycling of phosphorylated cargos by the SNX27-retromer complex.
Nat.Struct.Mol.Biol., 23, 2016
6XXX
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BU of 6xxx by Molmil
1.25 Angstrom crystal structure of Ca/CaM A102V:RyR2 peptide complex
Descriptor: CALCIUM ION, Calmodulin-1, LYS-LYS-ALA-VAL-TRP-HIS-LYS-LEU-LEU-SER-LYS-GLN-ARG-LYS-ARG-ALA-VAL-VAL-ALA-CYS-PHE
Authors:Antonyuk, S, Helassa, N.
Deposit date:2020-01-28
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:CPVT-associated calmodulin variants N53I and A102V dysregulate Ca2+ signalling via different mechanisms.
J.Cell.Sci., 135, 2022
6EE2
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BU of 6ee2 by Molmil
X-ray crystal structure of Pf-M17 in complex with inhibitor 6i and regulatory zinc ion
Descriptor: 1,2-ETHANEDIOL, CARBONATE ION, DIMETHYL SULFOXIDE, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2018-08-13
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
6AYL
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BU of 6ayl by Molmil
Human adipocyte lipid-binding protein FABP4 in complex with fluorescein
Descriptor: 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, Fatty acid-binding protein, adipocyte
Authors:Pozharski, E.
Deposit date:2017-09-08
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:To be published
To Be Published
6X9G
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BU of 6x9g by Molmil
Structure of the malonate-bound form of ArrX from Chrysiogenes arsenatis
Descriptor: ArrX, MALONATE ION
Authors:Maher, M.J, Poddar, N.
Deposit date:2020-06-02
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural and Functional Investigation of the Periplasmic Arsenate-Binding Protein ArrX from Chrysiogenes arsenatis .
Biochemistry, 60, 2021
6PN5
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BU of 6pn5 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl)-4-methylquinolin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2019-07-02
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
6PDV
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BU of 6pdv by Molmil
Cu-Carbonic Anhydrase II, A Nitrite Reductase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, Carbonic anhydrase 2, ...
Authors:Andring, J.T, McKenna, R.
Deposit date:2019-06-19
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Structure and mechanism of copper-carbonic anhydrase II: a nitrite reductase.
Iucrj, 7, 2020
7YPR
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BU of 7ypr by Molmil
Structural basis of a superoxide dismutase from a tardigrade, Ramazzottius varieornatus strain YOKOZUNA-1.
Descriptor: COPPER (II) ION, POTASSIUM ION, Superoxide dismutase [Cu-Zn], ...
Authors:Sim, K.-S, Fukuda, Y, Inoue, T.
Deposit date:2022-08-04
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structure of a superoxide dismutase from a tardigrade: Ramazzottius varieornatus strain YOKOZUNA-1.
Acta Crystallogr.,Sect.F, 79, 2023
6XL2
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BU of 6xl2 by Molmil
Structure of the arsenate-bound form of ArrX from Chrysiogenes arsenatis
Descriptor: ARSENATE, ArrX
Authors:Maher, M.J, Poddar, N.
Deposit date:2020-06-27
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural and Functional Investigation of the Periplasmic Arsenate-Binding Protein ArrX from Chrysiogenes arsenatis .
Biochemistry, 60, 2021
6EFY
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BU of 6efy by Molmil
Crystal Structure of DIP-Alpha Ig1-3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Dpr-interacting protein alpha, isoform A, ...
Authors:Cosmanescu, F, Shapiro, L.
Deposit date:2018-08-17
Release date:2018-11-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Neuron-Subtype-Specific Expression, Interaction Affinities, and Specificity Determinants of DIP/Dpr Cell Recognition Proteins.
Neuron, 100, 2018
8PGK
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BU of 8pgk by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 3016
Descriptor: 7-[(1~{S})-1-(2-carbamimidoyl-6-oxidanylidene-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 3016
To Be Published
8PGG
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BU of 8pgg by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2954
Descriptor: 3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{S})-1-(2-oxidanylidene-1~{H}-pyridin-3-yl)ethyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2954
To Be Published
6XYF
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BU of 6xyf by Molmil
Nanobody 22
Descriptor: Nanobody 22, SODIUM ION
Authors:Pompidor, G, Zimmermann, S, Loew, C, Schneider, T.
Deposit date:2020-01-30
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.11097 Å)
Cite:Engineered nanobodies with a lanthanide binding motif for crystallographic phasing
To Be Published
8PGR
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BU of 8pgr by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 3270
Descriptor: 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(2-methoxypyridin-4-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ...
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 3270
To Be Published
5T8P
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BU of 5t8p by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to benzoxepin compound 2
Descriptor: 6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
Authors:Smith, M.A, McEwan, P.A.
Deposit date:2016-09-08
Release date:2017-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
6XYM
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BU of 6xym by Molmil
Nbe-LBM
Descriptor: Nbe-LBM, TERBIUM(III) ION
Authors:Pompidor, G, Zimmermann, S, Loew, C, Schneider, T.
Deposit date:2020-01-30
Release date:2021-02-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Engineered nanobodies with a lanthanide binding motif for crystallographic phasing
To Be Published
6PNH
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BU of 6pnh by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-isopropoxyphenyl)-4-methylquinolin-2-amine
Descriptor: 7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine, Nitric oxide synthase, brain, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2019-07-02
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
6I6E
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BU of 6i6e by Molmil
Circular permutant of ribosomal protein S6, swap strand 1 , L10A mutant
Descriptor: 30S ribosomal protein S6
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
8PH3
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BU of 8ph3 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 3747
Descriptor: 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(1-methylpyrazol-4-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 3747
To Be Published
6XZH
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BU of 6xzh by Molmil
Structure of zVDR LBD-Calcitriol in complex with chimera 10
Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, ARG-HIS-LYS-ILE-URL-URK-URL-LEU-GLN, Vitamin D3 receptor A
Authors:Buratto, J, Belorusova, A.Y, Rochel, N, Guichard, G.
Deposit date:2020-02-04
Release date:2021-02-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.372 Å)
Cite:Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers.
Angew.Chem.Int.Ed.Engl., 60, 2021
6PNZ
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BU of 6pnz by Molmil
The structure of the Aspartate Transcarbamoylase trimer from Staphylococcus aureus complexed with PALA at 2.27 Resolution.
Descriptor: Aspartate carbamoyltransferase, N-(PHOSPHONACETYL)-L-ASPARTIC ACID
Authors:Edwards, B.F.P, Evans, D.R, Patel, C.
Deposit date:2019-07-03
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:The structure of the Aspartate Transcarbamoylase trimer from Staphylococcus aureus complexed with PALA at 2.27 Resolution.
To Be Published
6I5D
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BU of 6i5d by Molmil
Crystal structure of an OXA-48 beta-lactamase synthetic mutant
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
Authors:Zavala, A, Retailleau, P, Dabos, L, Naas, T, Iorga, B.
Deposit date:2018-11-13
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Substrate specificity of an OXA-48 beta-lactamase synthetic mutant
To be published
8PGH
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BU of 8pgh by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2955
Descriptor: 7-[(1~{S})-1-[1-(3-azanylpropyl)pyrazol-4-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-18
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2955
To Be Published
5T90
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BU of 5t90 by Molmil
Structural mechanisms for alpha-conotoxin selectivity at the human alpha3beta4 nicotinic acetylcholine receptor
Descriptor: Acetylcholine-binding protein, LsIA
Authors:Abraham, N, Healy, M, Ragnarsson, L, Brust, A, Alewood, P, Lewis, R.
Deposit date:2016-09-08
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural mechanisms for alpha-conotoxin activity at the human alpha 3 beta 4 nicotinic acetylcholine receptor.
Sci Rep, 7, 2017

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