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5I2F
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BU of 5i2f by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) with bound sulfamide inhibitor Bio-AMS
Descriptor: 1,2-ETHANEDIOL, 5'-deoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Histidine triad nucleotide-binding protein 1
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-02-08
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Design, Synthesis, and Characterization of Sulfamide and Sulfamate Nucleotidomimetic Inhibitors of hHint1.
Acs Med.Chem.Lett., 7, 2016
5AB9
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BU of 5ab9 by Molmil
Structure of the p53 cancer mutant Y220C with bound small molecule 7- ethyl-3-(piperidin-4-yl)-1H-indole
Descriptor: 7-ethyl-3-(piperidin-4-yl)-1H-indole, CELLULAR TUMOR ANTIGEN P53, DI(HYDROXYETHYL)ETHER, ...
Authors:Joerger, A.C.
Deposit date:2015-08-04
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53.
Structure, 23, 2015
5O4X
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BU of 5o4x by Molmil
Protein structure determination by electron diffraction using a single three-dimensional nanocrystal
Descriptor: Lysozyme C
Authors:Clabbers, M.T.B, van Genderen, E, Wan, W, Wiegers, E.L, Gruene, T, Abrahams, J.P.
Deposit date:2017-05-31
Release date:2017-08-23
Last modified:2024-01-17
Method:ELECTRON CRYSTALLOGRAPHY (2.11 Å)
Cite:Protein structure determination by electron diffraction using a single three-dimensional nanocrystal.
Acta Crystallogr D Struct Biol, 73, 2017
3VQ2
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BU of 3vq2 by Molmil
Crystal structure of mouse TLR4/MD-2/LPS complex
Descriptor: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ohto, U, Shimizu, T.
Deposit date:2012-03-17
Release date:2012-05-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structural basis of species-specific endotoxin sensing by innate immune receptor TLR4/MD-2
Proc.Natl.Acad.Sci.USA, 109, 2012
2RSJ
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BU of 2rsj by Molmil
Solution structures of the DNA-binding domains of immune-related zinc-finger protein ZFAT
Descriptor: ZINC ION, Zinc finger protein ZFAT
Authors:Tochio, N, Umehara, T, Kigawa, T, Yokoyama, S.
Deposit date:2012-03-07
Release date:2013-03-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structures of the DNA-binding domains of immune-related zinc-finger protein ZFAT
To be Published
4ZYP
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BU of 4zyp by Molmil
Crystal Structure of Motavizumab and Quaternary-Specific RSV-Neutralizing Human Antibody AM14 in Complex with Prefusion RSV F Glycoprotein
Descriptor: AM14 antibody Fab heavy chain, AM14 antibody light chain, Fusion glycoprotein F0,Fibritin, ...
Authors:Gilman, M.S.A, McLellan, J.S.
Deposit date:2015-05-21
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Characterization of a Prefusion-Specific Antibody That Recognizes a Quaternary, Cleavage-Dependent Epitope on the RSV Fusion Glycoprotein.
Plos Pathog., 11, 2015
7O10
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BU of 7o10 by Molmil
ABC transporter NosDFY, nucleotide-free in GDN, R-domain 2
Descriptor: MAGNESIUM ION, Probable ABC transporter ATP-binding protein NosF, Probable ABC transporter binding protein NosD, ...
Authors:Mueller, C, Zhang, L, Lu, W, Einsle, O, Du, J.
Deposit date:2021-03-28
Release date:2022-04-13
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
5IR2
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BU of 5ir2 by Molmil
Crystal structure of novel cellulases from microbes associated with the gut ecosystem
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Cellulase, ...
Authors:Chang, C, Mack, J, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2016-03-11
Release date:2016-03-23
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.079 Å)
Cite:Crystal structure of novel cellulases from microbes associated with the gut ecosystem
To Be Published
5O51
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BU of 5o51 by Molmil
AfRom2 CNH domain
Descriptor: Rho guanyl nucleotide exchange factor (Rom2), putative
Authors:Wei, W, van Aalten, D.
Deposit date:2017-05-31
Release date:2018-06-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Rom2 CNH domain from Aspergillus fumigatus is an atypical seven-bladed WD-40 protein
To Be Published
4G0J
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BU of 4g0j by Molmil
Crystallographic Analysis of Rotavirus NSP2-RNA Complex Reveals Specific Recognition of 5'-GG Sequence for RTPase activity
Descriptor: Non-structural protein 2
Authors:Hu, L, Prasad, B.V.V.
Deposit date:2012-07-09
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.398 Å)
Cite:Crystallographic Analysis of Rotavirus NSP2-RNA Complex Reveals Specific Recognition of 5' GG Sequence for RTPase Activity.
J.Virol., 86, 2012
3VRE
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BU of 3vre by Molmil
The crystal structure of hemoglobin from woolly mammoth in the deoxy form
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta/delta hybrid, PROTOPORPHYRIN IX CONTAINING FE
Authors:Noguchi, H, Campbell, K.L, Ho, C, Park, S.-Y, Tame, J.R.H.
Deposit date:2012-04-09
Release date:2012-11-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of haemoglobin from woolly mammoth in liganded and unliganded states.
Acta Crystallogr.,Sect.D, 68, 2012
2RK9
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BU of 2rk9 by Molmil
The crystal structure of a glyoxalase/bleomycin resistance protein/dioxygenase superfamily member from Vibrio splendidus 12B01
Descriptor: Glyoxalase/bleomycin resistance protein/dioxygenase
Authors:Tyagi, R, Eswaramoorthy, S, Sauder, J.M, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-10-16
Release date:2007-10-30
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structure of a glyoxalase/bleomycin resistance protein/dioxygenase superfamily member from Vibrio splendidus 12B01.
To be Published
6YPG
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BU of 6ypg by Molmil
Crystal Structure of CK2alpha with Compound 2 bound to second crystal form
Descriptor: 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, ACETATE ION, Casein kinase II subunit alpha
Authors:Brear, P, Hyvonen, M.
Deposit date:2020-04-16
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
5OL4
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BU of 5ol4 by Molmil
1.28 A resolution of Sporosarcina pasteurii urease inhibited in the presence of NBPT
Descriptor: 1,2-ETHANEDIOL, NICKEL (II) ION, Phosphoramidothioic O,O-acid, ...
Authors:Mazzei, L, Cianci, M, Musiani, F, Ciurli, S.
Deposit date:2017-07-26
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Urease Inhibition in the Presence of N-(n-Butyl)thiophosphoric Triamide, a Suicide Substrate: Structure and Kinetics.
Biochemistry, 56, 2017
4G2H
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BU of 4g2h by Molmil
Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor
Descriptor: (3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Ciesielski, F, Sato, Y, Moras, D, Rochel, N.
Deposit date:2012-07-12
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin d nuclear receptor.
J.Med.Chem., 55, 2012
5A7B
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BU of 5a7b by Molmil
Structure of the p53 cancer Y220C bound to the stabilizing small molecule PhiKan5211
Descriptor: 2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-ethynyl-4-(3-phenoxyprop-1-ynyl)phenol, CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C.
Deposit date:2015-07-03
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Experimental and Theoretical Evaluation of the Ethynyl Moiety as a Halogen Bioisostere.
Acs Chem.Biol., 10, 2015
5I2K
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BU of 5i2k by Molmil
Structure of the human GluN1/GluN2A LBD in complex with 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 19)
Descriptor: 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, GLUTAMIC ACID, GLYCINE, ...
Authors:Wallweber, H.J.A, Lupardus, P.J.
Deposit date:2016-02-09
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.
J.Med.Chem., 59, 2016
3VRG
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BU of 3vrg by Molmil
The crystal structure of hemoglobin from woolly mammoth in the met form
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta/delta hybrid, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Noguchi, H, Campbell, K.L, Ho, C, Park, S.-Y, Tame, J.R.H.
Deposit date:2012-04-09
Release date:2012-11-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of haemoglobin from woolly mammoth in liganded and unliganded states.
Acta Crystallogr.,Sect.D, 68, 2012
4ZZ9
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BU of 4zz9 by Molmil
Crystal structure of T75S mutant of Triosephosphate isomerase from Plasmodium falciparum
Descriptor: 1,2-ETHANEDIOL, SODIUM ION, Triosephosphate isomerase
Authors:Bandyopadhyay, D, Murthy, M.R.N, Balaram, H, Balaram, P.
Deposit date:2015-05-22
Release date:2015-07-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Probing the role of highly conserved residues in triosephosphate isomerase - analysis of site specific mutants at positions 64 and 75 in the Plasmodial enzyme
Febs J., 282, 2015
5IR5
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BU of 5ir5 by Molmil
Crystal structure of wild-type bacterial lipoxygenase from Pseudomonas aeruginosa PA-LOX with space group P21212 at 1.9 A resolution
Descriptor: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate, Arachidonate 15-lipoxygenase, FE (II) ION, ...
Authors:Kalms, J, Banthiya, S, Galemou Yoga, E, Kuhn, H, Scheerer, P.
Deposit date:2016-03-12
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional basis of phospholipid oxygenase activity of bacterial lipoxygenase from Pseudomonas aeruginosa.
Biochim.Biophys.Acta, 1861, 2016
5O5B
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BU of 5o5b by Molmil
Poliovirus type 3 (strain Saukett) stabilized virus-like particle
Descriptor: Capsid proteins, VP1, VP2, ...
Authors:Bahar, M.W, Kotecha, A, Fry, E.E, Stuart, D.I.
Deposit date:2017-06-01
Release date:2017-07-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Plant-made polio type 3 stabilized VLPs-a candidate synthetic polio vaccine.
Nat Commun, 8, 2017
4G1O
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BU of 4g1o by Molmil
Crystal structure of Newcastle disease virus matrix protein
Descriptor: Matrix protein
Authors:Meng, G, Rossmann, M.G.
Deposit date:2012-07-11
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and assembly of a paramyxovirus matrix protein.
Proc.Natl.Acad.Sci.USA, 109, 2012
5O5I
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BU of 5o5i by Molmil
Robo1 Ig5
Descriptor: Roundabout homolog 1
Authors:Aleksandrova, N, Gutsche, I, Kandiah, E, Avilov, S.V, Petoukhov, M.V, Seiradake, E, McCarthy, A.A.
Deposit date:2017-06-01
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Robo1 Forms a Compact Dimer-of-Dimers Assembly.
Structure, 26, 2018
3VUR
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BU of 3vur by Molmil
Crystal structure of Bombyx mori sigma-class glutathione transferase in complex with glutathionesulfonic acid
Descriptor: GLUTATHIONE SULFONIC ACID, Glutathione S-transferase sigma, PENTAETHYLENE GLYCOL
Authors:Yamamoto, K, Higashiura, A, Nakagawa, A, Suzuki, M.
Deposit date:2012-07-05
Release date:2013-07-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.365 Å)
Cite:Crystal structure of Bombyx mori sigma-class glutathione transferase in complex with glutathionesulfonic acid
TO BE PUBLISHED
2RVO
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BU of 2rvo by Molmil
Solution structure of a reverse transcriptase recognition site of a LINE RNA from zebrafish
Descriptor: RNA (34-MER)
Authors:Otsu, M, Norose, N, Arai, N, Terao, R, Kajikawa, M, Okada, N, Kawai, G.
Deposit date:2016-02-03
Release date:2017-02-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of a reverse transcriptase recognition site of a LINE RNA from zebrafish.
J. Biochem., 162, 2017

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