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6W9O
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BU of 6w9o by Molmil
Crystal structure of an OTU deubiquitinase from Wolbachia pipientis wMel
Descriptor: ACETATE ION, OTU domain-containing protein wMelOTU
Authors:Schubert, A.F, Pruneda, J.N, Komander, D.
Deposit date:2020-03-23
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Identification and characterization of diverse OTU deubiquitinases in bacteria.
Embo J., 39, 2020
1E0Q
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BU of 1e0q by Molmil
Mutant Peptide from the first N-terminal 17 amino-acid of Ubiquitin
Descriptor: POLYUBIQUITIN-B
Authors:Zerella, R, Chen, P.Y, Evans, P.A, Raine, A, Williams, D.H.
Deposit date:2000-04-05
Release date:2001-01-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Characterization of a Mutant Peptide Derived from Ubiquitin: Implications for Protein Folding.
Protein Sci., 9, 2000
6W9R
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BU of 6w9r by Molmil
Crystal structure of an OTU deubiquitinase from Wolbachia pipientis wMel bound to ubiquitin
Descriptor: CITRATE ANION, OTU domain-containing protein wMelOTU, Ubiquitin
Authors:Schubert, A.F, Pruneda, J.N, Komander, D.
Deposit date:2020-03-23
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Identification and characterization of diverse OTU deubiquitinases in bacteria.
Embo J., 39, 2020
1DJA
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BU of 1dja by Molmil
STRUCTURE OF BETA-LACTAMASE PRECURSOR, K73H MUTANT, AT 298K
Descriptor: BETA-LACTAMASE
Authors:Chen, C.C.H, Herzberg, O.
Deposit date:1996-08-13
Release date:1997-03-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and kinetics of the beta-lactamase mutants S70A and K73H from Staphylococcus aureus PC1.
Biochemistry, 35, 1996
4NVN
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BU of 4nvn by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: 2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one, Cytochrome c peroxidase, PHOSPHATE ION, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVE
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BU of 4nve by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: BENZIMIDAZOLE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVO
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BU of 4nvo by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: 3-(thiophen-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
2I4C
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BU of 2i4c by Molmil
Crystal structure of Bicarbonate Transport Protein CmpA from Synechocystis sp. PCC 6803 in complex with bicarbonate and calcium
Descriptor: BICARBONATE ION, Bicarbonate transporter, CALCIUM ION
Authors:Koropatkin, N.M, Smith, T.J, Pakrasi, H.B.
Deposit date:2006-08-21
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structure of a Cyanobacterial Bicarbonate Transport Protein, CmpA.
J.Biol.Chem., 282, 2007
6B2X
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BU of 6b2x by Molmil
Apo YiuA Crystal Form 1
Descriptor: CHLORIDE ION, SODIUM ION, Solute-binding periplasmic protein of iron/siderophore ABC transporter
Authors:Radka, C.D, DeLucas, L.J, Aller, S.G.
Deposit date:2017-09-20
Release date:2017-11-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:The crystal structure of the Yersinia pestis iron chaperone YiuA reveals a basic triad binding motif for the chelated metal.
Acta Crystallogr D Struct Biol, 73, 2017
4NBM
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BU of 4nbm by Molmil
Crystal structure of UVB photoreceptor UVR8 and light-induced structural changes at 180K
Descriptor: MAGNESIUM ION, Ultraviolet-B receptor UVR8
Authors:Yang, X, Zeng, X, Zhao, K.-H, Ren, Z.
Deposit date:2013-10-23
Release date:2016-10-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8.
Nat Plants, 1, 2015
3A6N
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BU of 3a6n by Molmil
The nucleosome containing a testis-specific histone variant, human H3T
Descriptor: 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ...
Authors:Tachiwana, H, Kagawa, W, Osakabe, A, Koichiro, K, Shiga, T, Kimura, H, Kurumizaka, H.
Deposit date:2009-09-04
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of instability of the nucleosome containing a testis-specific histone variant, human H3T
Proc.Natl.Acad.Sci.USA, 107, 2010
4N84
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BU of 4n84 by Molmil
Crystal structure of 14-3-3zeta in complex with a 12-carbon-linker cyclic peptide derived from ExoS
Descriptor: 14-3-3 protein zeta/delta, Exoenzyme S
Authors:Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C.
Deposit date:2013-10-17
Release date:2014-02-19
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
2Y4V
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BU of 2y4v by Molmil
CRYSTAL STRUCTURE OF HUMAN CALMODULIN IN COMPLEX WITH A DAP KINASE-1 MUTANT (W305Y) PEPTIDE
Descriptor: CALCIUM ION, CALMODULIN, DEATH-ASSOCIATED PROTEIN KINASE 1,
Authors:de Diego, I, Lehmann, F, Wilmanns, M.
Deposit date:2011-01-11
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Journey Through the Dap Kinase Architecture
To be Published
2BIY
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BU of 2biy by Molmil
Structure of PDK1-S241A mutant kinase domain
Descriptor: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Komander, D, Kular, G.S, Deak, M, Alessi, D.R, van Aalten, D.M.F.
Deposit date:2005-01-26
Release date:2005-02-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Role of T-loop phosphorylation in PDK1 activation, stability, and substrate binding.
J. Biol. Chem., 280, 2005
7E42
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BU of 7e42 by Molmil
Solution strucutre of holo acyl carrier protein from Acinetobacter baumannii
Descriptor: Acyl carrier protein
Authors:Choi, S, Park, J, Kim, Y.
Deposit date:2021-02-10
Release date:2022-02-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:solution structure of holo acyl carrier protein in acinetobacter baumannii
To Be Published
2IEN
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BU of 2ien by Molmil
Crystal structure analysis of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017)
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ...
Authors:Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T.
Deposit date:2006-09-19
Release date:2006-10-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains.
J.Mol.Biol., 338, 2004
7S55
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BU of 7s55 by Molmil
NMR Solution Structure of Cter 27
Descriptor: Cliotide T10
Authors:Harvey, P.J, Dang, T.T, Craik, D.J.
Deposit date:2021-09-09
Release date:2022-07-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Mutagenesis of cyclotide Cter 27 exemplifies a robust folding strategy for bracelet cyclotides
Peptide Science, 2022
4P2A
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BU of 4p2a by Molmil
Structure of mouse VPS26A bound to rat SNX27 PDZ domain
Descriptor: MERCURY (II) ION, Sorting nexin-27, Vacuolar protein sorting-associated protein 26A
Authors:Clairfeuille, T, Gallon, M, Mas, C, Ghai, R, Teasdale, R, Cullen, P, Collins, B.
Deposit date:2014-03-03
Release date:2014-09-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A unique PDZ domain and arrestin-like fold interaction reveals mechanistic details of endocytic recycling by SNX27-retromer.
Proc.Natl.Acad.Sci.USA, 111, 2014
4PAN
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BU of 4pan by Molmil
A conserved phenylalanine as relay between the 5 helix and the GDP binding region of heterotrimeric G protein
Descriptor: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E.
Deposit date:2014-04-09
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Conserved Phenylalanine as a Relay between the alpha 5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein alpha Subunit.
J.Biol.Chem., 289, 2014
2J4Z
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BU of 2j4z by Molmil
Structure of Aurora-2 in complex with PHA-680626
Descriptor: 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE, ARSENIC, SERINE THREONINE-PROTEIN KINASE 6
Authors:Cameron, A.D, Izzo, G, Storici, P, Rusconi, L, Fancelli, D, Varasi, M, Berta, D, Bindi, S, Forte, B, Severino, D, Tonani, R, Vianello, P.
Deposit date:2006-09-08
Release date:2006-11-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles: identification of a potent Aurora kinase inhibitor with a favorable antitumor kinase inhibition profile.
J. Med. Chem., 49, 2006
6B2Y
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BU of 6b2y by Molmil
Apo YiuA Crystal Form 2
Descriptor: SODIUM ION, Solute-binding periplasmic protein of iron/siderophore ABC transporter
Authors:Radka, C.D, DeLucas, L.J, Aller, S.G.
Deposit date:2017-09-20
Release date:2017-11-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:The crystal structure of the Yersinia pestis iron chaperone YiuA reveals a basic triad binding motif for the chelated metal.
Acta Crystallogr D Struct Biol, 73, 2017
4P66
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BU of 4p66 by Molmil
Electrostatics of Active Site Microenvironments of E. coli DHFR
Descriptor: CALCIUM ION, Dihydrofolate reductase, METHOTREXATE, ...
Authors:Liu, C.T, Layfield, J.P, Stewart III, R.J, French, J.B, Hanoian, P, Asbury, J.B, Hammes-Schiffer, S, Benkovic, S.J.
Deposit date:2014-03-21
Release date:2014-07-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase.
J.Am.Chem.Soc., 136, 2014
7SN3
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BU of 7sn3 by Molmil
Structure of human SARS-CoV-2 spike glycoprotein trimer bound by neutralizing antibody C1C-A3 Fab (variable region)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pan, J, Abraham, J, Shankar, S.
Deposit date:2021-10-27
Release date:2021-12-08
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for continued antibody evasion by the SARS-CoV-2 receptor binding domain.
Science, 375, 2022
1DDS
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BU of 1dds by Molmil
MOLECULE: DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH METHOTREXATE
Descriptor: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
Authors:Yennawar, H.P, Farber, G.K.
Deposit date:1995-06-29
Release date:1995-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The effect of denaturants on protein structure.
Protein Sci., 6, 1997
1DDR
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BU of 1ddr by Molmil
MOLECULE: DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH METHOTREXATE AND UREA
Descriptor: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
Authors:Yennawar, H.P, Farber, G.K.
Deposit date:1995-06-29
Release date:1995-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The effect of denaturants on protein structure.
Protein Sci., 6, 1997

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数据于2024-10-09公开中

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