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2K8V
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BU of 2k8v by Molmil
Solution structure of Oxidised ERp18
Descriptor: Thioredoxin domain-containing protein 12
Authors:Rowe, M.L, Alanen, H.I, Ruddock, L.W, Kelly, G, Schmidt, J.M, Williamson, R.A, Howard, M.J.
Deposit date:2008-09-25
Release date:2009-06-02
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Solution structure and dynamics of ERp18, a small endoplasmic reticulum resident oxidoreductase .
Biochemistry, 48, 2009
6XNE
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BU of 6xne by Molmil
GCN4-p1 Peptide Trimer with p-methylphenylalanine residue at position 16 (me-F16)
Descriptor: GCN4-p1 Peptide with A16, GCN4-p1 Peptide with me-F16, MAGNESIUM ION, ...
Authors:Rowe Hartje, R.K, Czarny, R.S, Ho, A.
Deposit date:2020-07-02
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Engineering Specific Protein-Protein Interactions Through Halogen and Hydrogen Bonds
To Be Published
6XNL
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BU of 6xnl by Molmil
GCN4-p1 Peptide Trimer with iodo-phenylalanine residue at position 16 (IPF-F16)
Descriptor: GCN4-p1 Peptide with A16, GCN4-p1 Peptide with IPF-F16, SODIUM ION
Authors:Rowe Hartje, R.K, Czarny, R.S, Ho, A.
Deposit date:2020-07-03
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Engineering Specific Protein-Protein Interactions Through Halogen and Hydrogen Bonds
To Be Published
6XNM
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BU of 6xnm by Molmil
GCN4-p1 Peptide Trimer with tyrosine residue at position 16
Descriptor: GCN4-p1 peptide with A16, GCN4-p1 peptide with Y16, SODIUM ION
Authors:Rowe Hartje, R.K, Czarny, R.S, Ho, A.
Deposit date:2020-07-03
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Engineering Specific Protein-Protein Interactions Through Halogen and Hydrogen Bonds
To Be Published
6XNF
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BU of 6xnf by Molmil
GCN4-p1 Peptide Trimer with Tetrafluoroiodophenylalanine residue at position 16 (TFI-F16)
Descriptor: GCN4-p1 peptide with A16, GCN4-p1 peptide with TFI-F16, SODIUM ION
Authors:Rowe Hartje, R.K, Czarny, R.S, Ho, A.
Deposit date:2020-07-02
Release date:2021-07-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineering Specific Protein-Protein Interactions Through Halogen and Hydrogen Bonds
To Be Published
7EP7
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BU of 7ep7 by Molmil
The complex structure of Gpsm2 and Whirlin
Descriptor: G-protein-signaling modulator 2, Whirlin
Authors:Lin, L, Shi, Y, Wang, C, Zhu, J.
Deposit date:2021-04-26
Release date:2022-05-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Promotion of row 1-specific tip complex condensates by Gpsm2-G alpha i provides insights into row identity of the tallest stereocilia.
Sci Adv, 8, 2022
5ITW
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BU of 5itw by Molmil
Crystal structure of Bacillus subtilis BacC Dihydroanticapsin 7-dehydrogenase
Descriptor: Dihydroanticapsin 7-dehydrogenase, SULFATE ION
Authors:Perinbam, K, Balaram, H, Row, T.N.G, Gopal, B.
Deposit date:2016-03-17
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Probing the influence of non-covalent contact networks identified by charge density analysis on the oxidoreductase BacC.
Protein Eng. Des. Sel., 30, 2017
5ITV
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BU of 5itv by Molmil
Crystal structure of Bacillus subtilis BacC Dihydroanticapsin 7-dehydrogenase in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Dihydroanticapsin 7-dehydrogenase
Authors:Perinbam, K, Balaram, H, Row, T.N.G, Gopal, B.
Deposit date:2016-03-17
Release date:2017-02-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Probing the influence of non-covalent contact networks identified by charge density analysis on the oxidoreductase BacC.
Protein Eng. Des. Sel., 30, 2017
5LO9
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BU of 5lo9 by Molmil
Thiosulfate dehydrogenase (TsdBA) from Marichromatium purpuratum - "as isolated" form
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome C, ...
Authors:Brito, J.A, Kurth, J.M, Reuter, J, Flegler, A, Koch, T, Franke, T, Klein, E, Rowe, S, Butt, J.N, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2016-08-08
Release date:2016-10-12
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Electron Accepting Units of the Diheme Cytochrome c TsdA, a Bifunctional Thiosulfate Dehydrogenase/Tetrathionate Reductase.
J.Biol.Chem., 291, 2016
5DSB
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BU of 5dsb by Molmil
Crystal structure of Holliday junctions stabilized by 5-hydroxymethylcytosine in GCC junction core
Descriptor: 5'-D(*CP*CP*GP*GP*CP*GP*5HCP*CP*GP*G)-3', CALCIUM ION
Authors:Vander Zanden, C.M, Rowe, R.K, Broad, A.J, Ho, P.S.
Deposit date:2015-09-17
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4959 Å)
Cite:Effect of Hydroxymethylcytosine on the Structure and Stability of Holliday Junctions.
Biochemistry, 55, 2016
2KMS
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BU of 2kms by Molmil
Combined high- and low-resolution techniques reveal compact structure in central portion of factor H despite long inter-modular linkers
Descriptor: Complement factor H
Authors:Schmidt, C.Q, Herbert, A.P, Guariento, M, Mertens, H.D.T, Soares, D.C, Uhrin, D, Rowe, A.J, Svergun, D.I, Barlow, P.N.
Deposit date:2009-08-04
Release date:2009-11-03
Last modified:2020-02-26
Method:SOLUTION NMR
Cite:The Central Portion of Factor H (Modules 10-15) Is Compact and Contains a Structurally Deviant CCP Module
J.Mol.Biol., 395, 2010
2L4C
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BU of 2l4c by Molmil
Solution Structure of the b domain of Human ERp27
Descriptor: Endoplasmic reticulum resident protein 27
Authors:Amin, N.T, Wallis, K, Rowe, M.L, Kelly, G, Frenkiel, T.A, Williamson, R.A, Howard, M.J, Freedman, R.B.
Deposit date:2010-10-03
Release date:2010-11-10
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure and dynamics of the b domain of human ERp27
To be Published
1W9R
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BU of 1w9r by Molmil
Solution Structure of Choline Binding Protein A, Domain R2, the Major Adhesin of Streptococcus pneumoniae
Descriptor: CHOLINE BINDING PROTEIN A
Authors:Luo, R, Mann, B, Lewis, W.S, Rowe, A, Heath, R, Stewart, M.L, Hamburger, A.E, Bjorkman, P.J, Sivakolundu, S, Lacy, E.R, Tuomanen, E, Kriwacki, R.W.
Deposit date:2004-10-15
Release date:2005-02-22
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution Structure of Choline Binding Protein A, the Major Adhesin of Streptococcus Pneumoniae
Embo J., 24, 2005
4B20
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BU of 4b20 by Molmil
Structural basis of DNA loop recognition by Endonuclease V
Descriptor: 5'-D(*AP*TP*CP*TP*TP*GP*TP*CP*GP*CP)-3', 5'-D(*GP*CP*GP*AP*CP*AP*GP)-3', ENDONUCLEASE V, ...
Authors:Rosnes, I, Rowe, A.D, Forstrom, R.J, Alseth, I, Bjoras, M, Dalhus, B.
Deposit date:2012-07-12
Release date:2013-04-17
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Basis of DNA Loop Recognition by Endonuclease V.
Structure, 21, 2013
3MKP
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BU of 3mkp by Molmil
Crystal structure of 1K1 mutant of Hepatocyte Growth Factor/Scatter Factor fragment NK1 in complex with heparin
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Gherardi, E, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2010-04-15
Release date:2010-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Engineering a fragment of Hepatocyte Growth Factor/Scatter Factor for tissue and organ regeneration
To be Published
1HFO
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BU of 1hfo by Molmil
The Structure of the Macrophage Migration Inhibitory Factor from Trichinella Spiralis.
Descriptor: MIGRATION INHIBITORY FACTOR
Authors:Roe, S.M, Meyer, D.J.
Deposit date:2000-12-07
Release date:2001-08-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Macrophage Migration Inhibitory Factor of the Parasitic Nematode Trichinella Spiralis
Biochem.J., 357, 2001
5DSA
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BU of 5dsa by Molmil
Crystal structure of Holliday junctions stabilized by 5-methylcytosine in GCC junction core
Descriptor: 5'-D(*CP*CP*GP*GP*CP*GP*5CMP*CP*GP*G)-3', CALCIUM ION
Authors:Vander Zanden, C.M, Ho, P.S.
Deposit date:2015-09-17
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6896 Å)
Cite:Effect of Hydroxymethylcytosine on the Structure and Stability of Holliday Junctions.
Biochemistry, 55, 2016
4IRA
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BU of 4ira by Molmil
CobR in complex with FAD
Descriptor: 4-hydroxyphenylacetate 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Lawrence, A.D, Scott, A.F, Warren, M.J, Pickersgill, R.W.
Deposit date:2013-01-14
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Biophysical characterisation and structure-function analysis of Brucella melitensis CobR: Protein-flavin interactions determine function and stability
To be Published
5V7F
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BU of 5v7f by Molmil
T4 lysozyme Y18Ymi
Descriptor: 2-HYDROXYETHYL DISULFIDE, Lysozyme
Authors:Carlsson, A.-C.C.
Deposit date:2017-03-20
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Increasing Enzyme Stability and Activity through Hydrogen Bond-Enhanced Halogen Bonds.
Biochemistry, 57, 2018
5V7E
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BU of 5v7e by Molmil
T4 lysozyme Y18Ymcl
Descriptor: 2-HYDROXYETHYL DISULFIDE, Lysozyme, SODIUM ION
Authors:Carlsson, A.-C.C.
Deposit date:2017-03-20
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Increasing Enzyme Stability and Activity through Hydrogen Bond-Enhanced Halogen Bonds.
Biochemistry, 57, 2018
5V7D
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BU of 5v7d by Molmil
T4 lysozyme Y18Ymbr
Descriptor: 2-HYDROXYETHYL DISULFIDE, Lysozyme
Authors:Carlsson, A.-C.C.
Deposit date:2017-03-20
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Increasing Enzyme Stability and Activity through Hydrogen Bond-Enhanced Halogen Bonds.
Biochemistry, 57, 2018
7M8J
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BU of 7m8j by Molmil
SARS-CoV-2 S-NTD + Fab CM25
Descriptor: CM25 Fab - Heavy Chain, CM25 Fab - Light Chain, Spike protein S1
Authors:Johnson, N.V, Mclellan, J.S.
Deposit date:2021-03-29
Release date:2021-05-19
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Prevalent, protective, and convergent IgG recognition of SARS-CoV-2 non-RBD spike epitopes.
Science, 372, 2021
4PJ0
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BU of 4pj0 by Molmil
Structure of T.elongatus Photosystem II, rows of dimers crystal packing
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Hellmich, J, Bommer, M, Burkhardt, A, Ibrahim, M, Kern, J, Meents, A, Mueh, F, Dobbek, H, Zouni, A.
Deposit date:2014-05-10
Release date:2014-10-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.437 Å)
Cite:Native-like Photosystem II Superstructure at 2.44 angstrom Resolution through Detergent Extraction from the Protein Crystal.
Structure, 22, 2014
6XHN
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BU of 6xhn by Molmil
Covalent complex of SARS-CoV main protease with 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide
Descriptor: (3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate, 1,2-ETHANEDIOL, 3C-like proteinase
Authors:Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E.
Deposit date:2020-06-19
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.377 Å)
Cite:Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
J.Med.Chem., 63, 2020
6XHM
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BU of 6xhm by Molmil
Covalent complex of SARS-CoV-2 main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E.
Deposit date:2020-06-19
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.406 Å)
Cite:Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
J.Med.Chem., 63, 2020

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