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2PNE
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BU of 2pne by Molmil
Crystal Structure of the Snow Flea Antifreeze Protein
Descriptor: 6.5 kDa glycine-rich antifreeze protein
Authors:Pentelute, B.L, Kent, S.B.H, Gates, Z.P, Tereshko, V, Kossiakoff, A.A, Kurutz, J, Dashnau, J, Vaderkooi, J.M.
Deposit date:2007-04-24
Release date:2008-04-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:X-ray structure of snow flea antifreeze protein determined by racemic crystallization of synthetic protein enantiomers
J.Am.Chem.Soc., 130, 2008
2ZPM
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BU of 2zpm by Molmil
Crystal structure analysis of PDZ domain B
Descriptor: Regulator of sigma E protease
Authors:Inaba, K, Suzuki, M.
Deposit date:2008-07-17
Release date:2008-10-21
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Crystal Structure analysis of PDZ-domain B
To be Published
1S5M
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BU of 1s5m by Molmil
Xylose Isomerase in Substrate and Inhibitor Michaelis States: Atomic Resolution Studies of a Metal-Mediated Hydride Shift
Descriptor: MANGANESE (II) ION, SODIUM ION, Xylose isomerase, ...
Authors:Fenn, T.D, Ringe, D, Petsko, G.A.
Deposit date:2004-01-21
Release date:2004-02-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Xylose isomerase in substrate and inhibitor michaelis States: atomic resolution studies of a metal-mediated hydride shift(,).
Biochemistry, 43, 2004
1IXH
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BU of 1ixh by Molmil
PHOSPHATE-BINDING PROTEIN (PBP) COMPLEXED WITH PHOSPHATE
Descriptor: PHOSPHATE ION, PHOSPHATE-BINDING PROTEIN
Authors:Wang, Z, Luecke, H, Quiocho, F.A.
Deposit date:1996-08-01
Release date:1998-02-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:A low energy short hydrogen bond in very high resolution structures of protein receptor--phosphate complexes.
Nat.Struct.Biol., 4, 1997
2V8T
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BU of 2v8t by Molmil
Crystal structure of Mn catalase from Thermus Thermophilus complexed with chloride
Descriptor: CHLORIDE ION, LITHIUM ION, MANGANESE (II) ION, ...
Authors:Antonyuk, S.V, Barynin, V.V, Vaguine, A.A, Melik-Adamyan, W.R, Popov, A.N, Lamsin, V.S, Harrison, P.M, Artymiuk, P.J.
Deposit date:2007-08-14
Release date:2007-09-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Three-Dimentional Structure of the Enzyme Dimanganese Catalase from Thermus Thermophilus at 1 Angstrom Resolution
Crystallogr.Rep.(Transl. Kristallografiya), 45, 2000
4F1U
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BU of 4f1u by Molmil
Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with phosphate at pH 4.5
Descriptor: 1,2-ETHANEDIOL, HYDROGENPHOSPHATE ION, Putative alkaline phosphatase, ...
Authors:Liebschner, D, Elias, M, Tawfik, D.S, Moniot, S, Fournier, B, Scott, K, Jelsch, C, Guillot, B, Lecomte, C, Chabriere, E.
Deposit date:2012-05-07
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:The molecular basis of phosphate discrimination in arsenate-rich environments.
Nature, 491, 2012
2VI3
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BU of 2vi3 by Molmil
Atomic resolution (0.98 A) structure of purified thaumatin I grown in sodium DL-tartrate at 20 C
Descriptor: GLYCEROL, L(+)-TARTARIC ACID, THAUMATIN-1
Authors:Jakoncic, J, Asherie, N, Ginsberg, C.
Deposit date:2007-11-26
Release date:2009-02-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Tartrate Chirality Determines Thaumatin Crystal Habit
Cryst.Growth Des., 9, 2009
3WBO
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BU of 3wbo by Molmil
Crystal Structure Analysis of the Z-DNA hexamer CGCGCG with 40 mM NaCl
Descriptor: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3')
Authors:Chatake, T.
Deposit date:2013-05-20
Release date:2014-05-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Structural fluctuation observed in Z-DNA d(CGCGCG)2 in the absence of divalent metal cations and polyamines
J.SYNCHROTRON RADIAT., 20, 2013
4HVW
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BU of 4hvw by Molmil
Crystal structure of the T98E c-Src-SH3 domain mutant in complex with the high affinity peptide VSL12
Descriptor: ACETYL GROUP, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ...
Authors:Camara-Artigas, A.
Deposit date:2012-11-07
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Atomic resolution structures of the c-Src SH3 domain in complex with two high-affinity peptides from classes I and II.
Acta Crystallogr.,Sect.D, 69, 2013
4HVU
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BU of 4hvu by Molmil
Crystal structure of the T98D c-Src-SH3 domain mutant in complex with the high affinity peptide APP12
Descriptor: ACETYL GROUP, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ...
Authors:Camara-Artigas, A.
Deposit date:2012-11-07
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Atomic resolution structures of the c-Src SH3 domain in complex with two high-affinity peptides from classes I and II.
Acta Crystallogr.,Sect.D, 69, 2013
7QYO
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BU of 7qyo by Molmil
BAZ2A bromodomain in complex with acetylpyrrole derivative compound 79
Descriptor: 1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-28
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.983 Å)
Cite:Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
1EN9
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BU of 1en9 by Molmil
1A CRYSTAL STRUCTURES OF B-DNA REVEAL SEQUENCE-SPECIFIC BINDING AND GROOVE-SPECIFIC BENDING OF DNA BY MAGNESIUM AND CALCIUM.
Descriptor: DNA (5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3'), MAGNESIUM ION
Authors:Chiu, T.K, Dickerson, R.E.
Deposit date:2000-03-20
Release date:2000-09-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.985 Å)
Cite:1 A crystal structures of B-DNA reveal sequence-specific binding and groove-specific bending of DNA by magnesium and calcium.
J.Mol.Biol., 301, 2000
1ENE
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BU of 1ene by Molmil
1A CRYSTAL STRUCTURES OF B-DNA REVEAL SEQUENCE-SPECIFIC BINDING AND GROOVE-SPECIFIC BENDING OF DNA BY MAGNESIUM AND CALCIUM.
Descriptor: CALCIUM ION, DNA (5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3'), ETHANOL
Authors:Chiu, T.K, Dickerson, R.E.
Deposit date:2000-03-21
Release date:2000-09-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.985 Å)
Cite:1 A crystal structures of B-DNA reveal sequence-specific binding and groove-specific bending of DNA by magnesium and calcium.
J.Mol.Biol., 301, 2000
1EN3
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BU of 1en3 by Molmil
1A CRYSTAL STRUCTURES OF B-DNA REVEAL SEQUENCE-SPECIFIC BINDING AND GROOVE-SPECIFIC BENDING OF DNA BY MAGNESIUM AND CALCIUM
Descriptor: DNA (5'-D(*CP*CP*AP*AP*CP*GP*TP*TP*GP*G)-3'), MAGNESIUM ION
Authors:Chiu, T.K, Dickerson, R.E.
Deposit date:2000-03-20
Release date:2000-09-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.985 Å)
Cite:1 A crystal structures of B-DNA reveal sequence-specific binding and groove-specific bending of DNA by magnesium and calcium.
J.Mol.Biol., 301, 2000
1EN8
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BU of 1en8 by Molmil
1 A CRYSTAL STRUCTURES OF B-DNA REVEAL SEQUENCE-SPECIFIC BINDING AND GROOVE-SPECIFIC BENDING OF DNA BY MAGNESIUM AND CALCIUM
Descriptor: CALCIUM ION, DNA (5'-D(*CP*CP*AP*AP*CP*GP*TP*TP*GP*G)-3'), ETHANOL
Authors:Chiu, T.K, Dickerson, R.E.
Deposit date:2000-03-20
Release date:2000-09-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.985 Å)
Cite:1 A crystal structures of B-DNA reveal sequence-specific binding and groove-specific bending of DNA by magnesium and calcium.
J.Mol.Biol., 301, 2000
5S3W
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BU of 5s3w by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0135
Descriptor: (3R,4R)-4-(2-methylphenyl)oxolane-3-carboxylic acid, Non-structural protein 3
Authors:Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F.
Deposit date:2020-11-02
Release date:2021-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (0.987 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
7Z9W
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BU of 7z9w by Molmil
BRD4 in complex with FragLite1
Descriptor: 4-bromo-1H-pyrazole, GLYCEROL, Isoform C of Bromodomain-containing protein 4
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-03-21
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.988 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
5SBQ
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BU of 5sbq by Molmil
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z44592329
Descriptor: CD44 antigen, DIMETHYL SULFOXIDE, N-phenyl-N'-pyridin-3-ylurea, ...
Authors:Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O.
Deposit date:2021-09-14
Release date:2021-09-22
Method:X-RAY DIFFRACTION (0.988 Å)
Cite:CD44 PanDDA analysis group deposition
To Be Published
3AGO
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BU of 3ago by Molmil
Crystal Structure of Ustilago sphaerogena Ribonuclease U2 complexed with adenosine 3'-monophosphate
Descriptor: CALCIUM ION, CHLORIDE ION, Ribonuclease U2, ...
Authors:Noguchi, S.
Deposit date:2010-04-03
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Isomerization mechanism of aspartate to isoaspartate implied by structures of Ustilago sphaerogena ribonuclease U2 complexed with adenosine 3'-monophosphate
Acta Crystallogr.,Sect.D, 66, 2010
8A55
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BU of 8a55 by Molmil
Structure of N-terminal SARS-CoV-2 nonstructural protein 1 (nsp1) at atomic resolution
Descriptor: Host translation inhibitor nsp1
Authors:Ma, S, Pinotsis, N, Bowler, M.W, Kozielski, F.
Deposit date:2022-06-14
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening.
Int J Mol Sci, 23, 2022
8WDG
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BU of 8wdg by Molmil
Subatomic crystal structure of glucose isomerase from Streptomyces rubiginosus
Descriptor: MAGNESIUM ION, Xylitol, Xylose isomerase
Authors:Nam, K.H.
Deposit date:2023-09-15
Release date:2023-10-04
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Xylitol binding to the M1 site of glucose isomerase induces a conformational change in the substrate binding channel.
Biochem.Biophys.Res.Commun., 682, 2023
7KOM
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BU of 7kom by Molmil
High Resolution Crystal Structure of Putative Pterin Binding Protein PruR (VV2_1280) from Vibrio vulnificus CMCP6
Descriptor: FORMIC ACID, Oxidored_molyb domain-containing protein, SODIUM ION
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-11-09
Release date:2021-11-17
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:High Resolution Crystal Structure of Putative Pterin Binding Protein PruR (VV2_1280) from Vibrio vulnificus CMCP6.
To Be Published
6G1I
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BU of 6g1i by Molmil
GH124 cellulase from Ruminiclostridium thermocellum in complex with Mn and fructosylated cellopentaose
Descriptor: Glycosyl Hydrolase, MALONIC ACID, MANGANESE (II) ION, ...
Authors:Urresti, S, Davies, G.J, Walton, P.H.
Deposit date:2018-03-21
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Structural studies of the unusual metal-ion site of the GH124 endoglucanase from Ruminiclostridium thermocellum.
Acta Crystallogr F Struct Biol Commun, 74, 2018
3X2H
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BU of 3x2h by Molmil
X-ray structure of PcCel45A N92D with cellopentaose at 95K.
Descriptor: 3-methylpentane-1,5-diol, Endoglucanase V-like protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Nakamura, A, Ishida, T, Samejima, M, Igarashi, K.
Deposit date:2014-12-22
Release date:2015-10-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:"Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015
7AM9
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BU of 7am9 by Molmil
OMPD-domain of human UMPS in complex with the substrate OMP at 0.99 Angstroms resolution
Descriptor: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ...
Authors:Tittmann, K, Rindfleisch, S, Krull, M.
Deposit date:2020-10-08
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022

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