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4GIE
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BU of 4gie by Molmil
Crystal structure of prostaglandin F synthase from Trypanosoma cruzi bound to NADP
Descriptor: ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin F synthase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-08-08
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structures of prostaglandin F synthase from the protozoa Leishmania major and Trypanosoma cruzi with NADP.
Acta Crystallogr F Struct Biol Commun, 71, 2015
6MSM
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BU of 6msm by Molmil
Phosphorylated, ATP-bound human cystic fibrosis transmembrane conductance regulator (CFTR)
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ...
Authors:Zhang, Z, Liu, F, Chen, J.
Deposit date:2018-10-16
Release date:2018-11-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular structure of the ATP-bound, phosphorylated human CFTR.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7AS8
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BU of 7as8 by Molmil
Bacillus subtilis ribosome quality control complex state B. Ribosomal 50S subunit with P-tRNA, RqcH, and RqcP/YabO
Descriptor: 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ...
Authors:Crowe-McAuliffe, C, Wilson, D.N.
Deposit date:2020-10-27
Release date:2020-12-09
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural Basis for Bacterial Ribosome-Associated Quality Control by RqcH and RqcP.
Mol.Cell, 81, 2021
6MT7
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BU of 6mt7 by Molmil
Phlebotomus duboscqi salivary D7 protein, selenomethionine derivative
Descriptor: 26.7 kDa salivary protein, FRAGMENT OF TRITON X-100
Authors:Andersen, J.F, Jablonka, W.
Deposit date:2018-10-19
Release date:2019-04-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Functional and structural similarities of D7 proteins in the independently-evolved salivary secretions of sand flies and mosquitoes.
Sci Rep, 9, 2019
4L35
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BU of 4l35 by Molmil
Crystal structure of cruxrhodopsin-3 at pH5 from Haloarcula vallismortis at 2.1 angstrom resolution
Descriptor: BACTERIORUBERIN, Cruxrhodopsin-3, RETINAL
Authors:Kouyama, T, Chan, S.K.
Deposit date:2013-06-05
Release date:2014-06-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Cruxrhodopsin-3 from Haloarcula vallismortis
Plos One, 9, 2014
6MTF
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BU of 6mtf by Molmil
D7 protein from Phlebotomus duboscqi, native
Descriptor: 26.7 kDa salivary protein, FRAGMENT OF TRITON X-100
Authors:Andersen, J.F, Jablonka, W.
Deposit date:2018-10-19
Release date:2019-04-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Functional and structural similarities of D7 proteins in the independently-evolved salivary secretions of sand flies and mosquitoes.
Sci Rep, 9, 2019
4GJV
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BU of 4gjv by Molmil
Streptavidin-S112H
Descriptor: CHLORIDE ION, Rhodium, Streptavidin, ...
Authors:Heinisch, T, Schirmer, T.
Deposit date:2012-08-10
Release date:2013-02-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A dual anchoring strategy for the localization and activation of artificial metalloenzymes based on the biotin-streptavidin technology.
J.Am.Chem.Soc., 135, 2013
4L64
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BU of 4l64 by Molmil
Crystal structure of the Candida albicans Methionine Synthase in complex with 5-Methyl-Tetrahydrofolate
Descriptor: 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, ZINC ION
Authors:Ubhi, D, Robertus, J.D.
Deposit date:2013-06-11
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural analysis of a fungal methionine synthase with substrates and inhibitors.
J.Mol.Biol., 426, 2014
3HD8
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BU of 3hd8 by Molmil
Crystal structure of the Triticum aestivum xylanase inhibitor-IIA in complex with bacillus subtilis xylanase
Descriptor: Endo-1,4-beta-xylanase A, Xylanase inhibitor
Authors:Sansen, S, Pollet, A, Raedschelders, G, Gebruers, K, Rabijns, A, Courtin, C.M.
Deposit date:2009-05-07
Release date:2009-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Identification of structural determinants for inhibition strength and specificity of wheat xylanase inhibitors TAXI-IA and TAXI-IIA
Febs J., 276, 2009
6XAT
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BU of 6xat by Molmil
Crystal structure of the human FoxP4 DNA binding Domain
Descriptor: FOXP4 protein, SODIUM ION
Authors:VIllalobos, P, Castro-Fernandez, V, Medina, E, Gonzalez-Ordenes, F, Maturana, P, Herrera-Morande, A, Ramirez-Sarmiento, C.A, Babul, J.
Deposit date:2020-06-04
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Unraveling the folding and dimerization properties of the human FoxP subfamily of transcription factors.
Febs Lett., 597, 2023
3HEA
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BU of 3hea by Molmil
The L29P/L124I mutation of Pseudomonas fluorescens esterase
Descriptor: Arylesterase, ETHYL ACETATE, GLYCEROL, ...
Authors:Kazlauskas, R.J, Schrag, J.D, Cheeseman, J.D, Morley, K.L.
Deposit date:2009-05-08
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Switching catalysis from hydrolysis to perhydrolysis in Pseudomonas fluorescens esterase.
Biochemistry, 49, 2010
4LBL
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BU of 4lbl by Molmil
Crystal structure of Human galectin-3 CRD K176L mutant in complex with a-GM3
Descriptor: CHLORIDE ION, Galectin-3, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Bum-Erdene, K, Blanchard, H.
Deposit date:2013-06-20
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Galectin-3 interactions with glycosphingolipids.
J.Mol.Biol., 426, 2014
6XBO
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BU of 6xbo by Molmil
X-ray crystal structure of the mouse CMP-Sialic acid transporter in complex with 5-methyl CMP
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-METHYLCYTIDINE-5'-MONOPHOSPHATE, CMP-sialic acid transporter, ...
Authors:Ahuja, S, Whorton, M.R.
Deposit date:2020-06-06
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of CMP-sialic acid transport by endogenous 5-methyl CMP.
Plos One, 16, 2021
6XCX
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BU of 6xcx by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with N2-((3-((2-aminoquinolin-7-yl)methoxy)phenoxy)methyl)pyridine-2,6-diamine
Descriptor: 7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Lewis, M.C, Poulos, T.L.
Deposit date:2020-06-09
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2520268 Å)
Cite:Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
7B5D
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BU of 7b5d by Molmil
Structure of calcium-free mTMEM16A(ac)-I551A chloride channel at 3.3 A resolution
Descriptor: Anoctamin-1
Authors:Lam, A.K.M, Rheinberger, J, Paulino, C, Dutzler, R.
Deposit date:2020-12-03
Release date:2021-02-10
Last modified:2021-02-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Gating the pore of the calcium-activated chloride channel TMEM16A.
Nat Commun, 12, 2021
4HBJ
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BU of 4hbj by Molmil
Bacterial Photosynthetic Reaction Center from Rhodobacter sphaeroides with ILE M265 replaced with GLN
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
Authors:Mattis, A.J, Wraight, C.A.
Deposit date:2012-09-28
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Bacterial Photosynthetic Reaction Center from Rhodobacter sphaeroides
To be Published
6XKG
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BU of 6xkg by Molmil
Crystal structure of 3-O-Sulfotransferase isoform 3 in complex with 8mer oligosaccharide with 6S sulfation
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic 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-(1-4)-beta-D-glucopyranuronic acid, 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-(1-4)-beta-D-glucopyranuronic acid, ...
Authors:Pedersen, L.C, Liu, J, Wander, R.
Deposit date:2020-06-26
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Deciphering the substrate recognition mechanisms of the heparan sulfate 3- O -sulfotransferase-3.
Rsc Chem Biol, 2, 2021
4KV8
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BU of 4kv8 by Molmil
Crystal structure of HIV RT in complex with BILR0355BS
Descriptor: 11-ethyl-5-methyl-8-[2-(1-oxidanylquinolin-4-yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-one, HIV Reverse transcriptase P51, HIV Reverse transcriptase P66, ...
Authors:Coulombe, R.
Deposit date:2013-05-22
Release date:2013-07-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:N- versus O-alkylation: Utilizing NMR methods to establish reliable primary structure determinations for drug discovery.
Bioorg.Med.Chem.Lett., 23, 2013
6XL8
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BU of 6xl8 by Molmil
Crystal structure of 3-O-Sulfotransferase isoform 3 in complex with 8mer oligosaccharide with no 6S sulfation
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Heparan sulfate glucosamine 3-O-sulfotransferase 3A1, IODIDE ION, ...
Authors:Pedersen, L.C, Liu, J, Wander, R.
Deposit date:2020-06-28
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Deciphering the substrate recognition mechanisms of the heparan sulfate 3- O -sulfotransferase-3.
Rsc Chem Biol, 2, 2021
6MKM
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BU of 6mkm by Molmil
Crystallographic solvent mapping analysis of DMSO/Tris bound to APE1
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, ...
Authors:Georgiadis, M.M, He, H, Chen, Q.
Deposit date:2018-09-25
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.673 Å)
Cite:Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019
7B0Y
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BU of 7b0y by Molmil
Structure of a transcribing RNA polymerase II-U1 snRNP complex
Descriptor: 145-nt RNA, DNA-directed RNA polymerase II subunit D, DNA-directed RNA polymerase II subunit E, ...
Authors:Zhang, S, Aibara, S, Vos, S.M, Agafonov, D.E, Luehrmann, R, Cramer, P.
Deposit date:2020-11-23
Release date:2021-01-13
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of a transcribing RNA polymerase II-U1 snRNP complex.
Science, 371, 2021
6XFT
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BU of 6xft by Molmil
Crystal Structure of the Cys-NO Modified YopH Tyrosine Phosphatase
Descriptor: Tyrosine-protein phosphatase YopH
Authors:Fernandes, R, Pereira, H.M, Thiemann, O, Terenzi, H.
Deposit date:2020-06-16
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of the Cys-NO modified YopH tyrosine phosphatase.
Biochim Biophys Acta Proteins Proteom, 1870, 2022
6MMJ
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BU of 6mmj by Molmil
Diheteromeric NMDA receptor GluN1/GluN2A in the 'Super-Splayed' conformation, in complex with glycine and glutamate, in the presence of 1 millimolar zinc chloride, and at pH 7.4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, NMDA 1, ...
Authors:Jalali-Yazdi, F, Chowdhury, S, Yoshioka, C, Gouaux, E.
Deposit date:2018-09-30
Release date:2018-11-28
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (16.5 Å)
Cite:Mechanisms for Zinc and Proton Inhibition of the GluN1/GluN2A NMDA Receptor.
Cell, 175, 2018
6XK4
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BU of 6xk4 by Molmil
Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(((3-(6-aminopyridin-2-yl)propyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, CHLORIDE ION, GLYCEROL, ...
Authors:Lewis, M.C, Poulos, T.L.
Deposit date:2020-06-25
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
7B5E
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BU of 7b5e by Molmil
Structure of calcium-bound mTMEM16A(ac)-I551A chloride channel at 4.1 A resolution
Descriptor: Anoctamin-1, CALCIUM ION
Authors:Lam, A.K.M, Rheinberger, J, Paulino, C, Dutzler, R.
Deposit date:2020-12-03
Release date:2021-02-10
Last modified:2021-02-17
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Gating the pore of the calcium-activated chloride channel TMEM16A.
Nat Commun, 12, 2021

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