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PDB: 89346 results

6OUB
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BU of 6oub by Molmil
Carbonic Anhydrase II complexed with benzene sulfonamide MB11-694B
Descriptor: 4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kota, A, McKenna, R.
Deposit date:2019-05-04
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.418 Å)
Cite:Carbonic Anhydrase II complexed with ureido benzene sulfonamide MB11-694B
To Be Published
4ZTE
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BU of 4zte by Molmil
Crystal structure of human E-Cadherin (residues 3-213) in complex with a peptidomimetic inhibitor
Descriptor: CALCIUM ION, Cadherin-1, N-{[(2S,5S)-1-benzyl-5-(2-{[(2S,3S)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl)-3,6-dioxopiperazin-2-yl]methyl}-L-alpha-asparagine
Authors:Nardone, V, Lucarelli, A.P, Dalle Vedove, A, Parisini, E.
Deposit date:2015-05-14
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Crystal Structure of Human E-Cadherin-EC1EC2 in Complex with a Peptidomimetic Competitive Inhibitor of Cadherin Homophilic Interaction.
J.Med.Chem., 59, 2016
6BKO
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BU of 6bko by Molmil
Crystal structure of the A/Wyoming/3/2003 (H3N2) influenza virus hemagglutinin D190E mutant apo form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2017-11-09
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A complex epistatic network limits the mutational reversibility in the influenza hemagglutinin receptor-binding site.
Nat Commun, 9, 2018
5NIO
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BU of 5nio by Molmil
EthR complex
Descriptor: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-butyl-4-methyl-piperidine-1-carboxamide
Authors:Pohl, E, Tatum, N.J, Cole, J.C, Baulard, A.R.
Deposit date:2017-03-24
Release date:2017-11-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:New active leads for tuberculosis booster drugs by structure-based drug discovery.
Org. Biomol. Chem., 15, 2017
6Y43
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BU of 6y43 by Molmil
Fibrinogen-like globe domain of human ANGPTL6
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Angiopoietin-related protein 6, ...
Authors:Coker, J.A, Krojer, T, Mutisya, J.M, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC)
Deposit date:2020-02-19
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fibrinogen-like globe domain of human ANGPTL6
To Be Published
4UCM
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BU of 4ucm by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A FRAGMENT
Descriptor: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA, methyl-3-methyl-5-phenyl-2H-pyrazol-4-methyl amine
Authors:Robinson, D.A, Wyatt, P.G.
Deposit date:2014-12-04
Release date:2015-05-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Identification and Structure Solution of Fragment Hits Against Kinetoplastid N-Myristoyltransferase
Acta Crystallogr.,Sect.F, 71, 2015
1AMY
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BU of 1amy by Molmil
CRYSTAL AND MOLECULAR STRUCTURE OF BARLEY ALPHA-AMYLASE
Descriptor: 1,4-ALPHA-D-GLUCAN GLUCANOHYDROLASE, CALCIUM ION
Authors:Kadziola, A, Haser, R.
Deposit date:1994-03-10
Release date:1995-05-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal and molecular structure of barley alpha-amylase.
J.Mol.Biol., 239, 1994
6BKS
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BU of 6bks by Molmil
Crystal structure of the A/Wyoming/3/2003 (H3N2) influenza virus hemagglutinin D190E mutant in complex with 6'-SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2017-11-09
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A complex epistatic network limits the mutational reversibility in the influenza hemagglutinin receptor-binding site.
Nat Commun, 9, 2018
6RH2
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BU of 6rh2 by Molmil
Revisiting pH-gated conformational switch. Complex HK853-RR468 D53A pH 5.3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Response regulator, SULFATE ION, ...
Authors:Mideros-Mora, C, Casino, P, Marina, A.
Deposit date:2019-04-18
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases.
Nat Commun, 11, 2020
6NAX
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BU of 6nax by Molmil
Olfactomedin domain of mouse myocilin
Descriptor: CALCIUM ION, GLYCEROL, Myocilin, ...
Authors:Patterson-Orazem, A.C, Hill, S.E, Lieberman, R.L.
Deposit date:2018-12-06
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Differential Misfolding Properties of Glaucoma-Associated Olfactomedin Domains from Humans and Mice.
Biochemistry, 58, 2019
6NB9
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BU of 6nb9 by Molmil
Amyloid-Beta (20-34) with L-isoaspartate 23
Descriptor: Amyloid-beta A4 protein
Authors:Sawaya, M.R, Warmack, R.A, Boyer, D.R, Zee, C.T, Richards, L.S, Cascio, D, Gonen, T, Clarke, S.G, Eisenberg, D.S.
Deposit date:2018-12-06
Release date:2019-08-07
Last modified:2022-09-07
Method:ELECTRON CRYSTALLOGRAPHY (1.05 Å)
Cite:Structure of amyloid-beta (20-34) with Alzheimer's-associated isomerization at Asp23 reveals a distinct protofilament interface.
Nat Commun, 10, 2019
6RHQ
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BU of 6rhq by Molmil
Crystal Structure of Two-Domain Laccase mutant I170A from Streptomyces griseoflavus
Descriptor: COPPER (II) ION, GLYCEROL, SULFATE ION, ...
Authors:Gabdulkhakov, A.G, Tishchenko, T.V, Kolyadenko, I.A.
Deposit date:2019-04-22
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase fromStreptomyces griseoflavusAc-993.
Int J Mol Sci, 20, 2019
7ZTR
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BU of 7ztr by Molmil
Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP) in the apoform, W232F mutant
Descriptor: Carotenoid-binding protein
Authors:Sluchanko, N.N, Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Maksimov, E.G, Popov, V.O.
Deposit date:2022-05-11
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Silkworm carotenoprotein as an efficient carotenoid extractor, solubilizer and transporter.
Int.J.Biol.Macromol., 223, 2022
7JQ7
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BU of 7jq7 by Molmil
The Phi-28 gp11 DNA packaging Motor
Descriptor: Encapsidation protein, IODIDE ION, SULFATE ION
Authors:Morais, M.C, White, M.A, Dill, E.
Deposit date:2020-08-10
Release date:2021-06-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.895 Å)
Cite:Atomistic basis of force generation, translocation, and coordination in a viral genome packaging motor.
Nucleic Acids Res., 49, 2021
8PP0
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BU of 8pp0 by Molmil
Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with JP147
Descriptor: 3-[4-[2,3-dihydro-1H-inden-4-yl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]oxypropanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Chaikuad, A, Pollinger, J, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-07-05
Release date:2024-02-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Design of a Highly Potent Partial RXR Agonist with Superior Physicochemical Properties.
J.Med.Chem., 67, 2024
5KW2
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BU of 5kw2 by Molmil
The extra-helical binding site of GPR40 and the structural basis for allosteric agonism and incretin stimulation
Descriptor: (3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid, Free fatty acid receptor 1,Lysozyme,Free fatty acid receptor 1
Authors:Ho, J.D, Chau, B, Rodgers, L, Lu, F, Wilbur, K.L, Otto, K.A, Chen, Y, Song, M, Riley, J.P, Yang, H.-C, Reynolds, N.A, Kahl, S.D, Lewis, A.P, Groshong, C, Madsen, R.E, Conners, K, Linswala, J.P, Gheyi, T, Saflor, M.D, Lee, M.R, Benach, J, Baker, K.A, Montrose-Rafizadeh, C, Genin, M.J, Miller, A.R, Hamdouchi, C.
Deposit date:2016-07-15
Release date:2018-05-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structural basis for GPR40 allosteric agonism and incretin stimulation.
Nat Commun, 9, 2018
7JPJ
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BU of 7jpj by Molmil
Crystal Structure of the essential dimeric LYSA from Phaeodactylum tricornutum
Descriptor: D-LYSINE, Diaminopimelate decarboxylase, SULFATE ION
Authors:Fedorov, E, Belinski, V.A, Brunson, J.K, Almo, S.C, Dupont, C.L, Ghosh, A.
Deposit date:2020-08-08
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:The Phaeodactylum tricornutum diaminopimelate decarboxylase was acquired via horizontal gene transfer from bacteria and displays substrate promiscuity
Biorxiv, 2020
6GH4
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BU of 6gh4 by Molmil
HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P2-Gln.
Descriptor: ARG-GLN-PRO-ALA-LYS-ALA-PRO-LEU-LEU, Beta-2-microglobulin, MHC class I antigen, ...
Authors:Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K.
Deposit date:2018-05-04
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding.
Nat Commun, 9, 2018
5KOV
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BU of 5kov by Molmil
Crystal structure of the human astrovirus 2 capsid protein spike in complex with a single chain variable fragment of an astrovirus neutralizing antibody at 3.24-A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid polyprotein VP90, PL-2 scFv chain
Authors:Bogdanoff, W.A, DuBois, R.M.
Deposit date:2016-07-01
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.245 Å)
Cite:Structure of a Human Astrovirus Capsid-Antibody Complex and Mechanistic Insights into Virus Neutralization.
J. Virol., 91, 2017
7T89
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BU of 7t89 by Molmil
Light harvesting complex Phycocyanin PC577 from the cryptophyte Hemiselmis pacifica CCMP 706
Descriptor: DiCys-(15,16)-Dihydrobiliverdin, PHYCOCYANOBILIN, Phycoerythrin alpha subunit 1, ...
Authors:Michie, K.A, Curmi, P.C, Harrop, S, Rathbone, H.W.
Deposit date:2021-12-16
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1 Å)
Cite:Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins.
Protein Sci., 32, 2023
7T8S
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BU of 7t8s by Molmil
Light Harvesting complex phycoerythrin PE 566, from the cryptophyte Cryptomonas pyrenoidifera
Descriptor: Bilin 584 (doubly linked), Bilin 584 (single linked), Bilin 618 (single linked), ...
Authors:Michie, K.A, Harrop, S.J, Rathbone, H.W, Wilk, K.E, Curmi, P.M.G.
Deposit date:2021-12-17
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins.
Protein Sci., 32, 2023
7JQ6
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BU of 7jq6 by Molmil
The Phi-28 gp11 DNA packaging Motor
Descriptor: Encapsidation protein, SULFATE ION
Authors:Morais, M.C, White, M.A, Dill, E.
Deposit date:2020-08-10
Release date:2021-06-16
Last modified:2021-07-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Atomistic basis of force generation, translocation, and coordination in a viral genome packaging motor.
Nucleic Acids Res., 49, 2021
6RJD
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BU of 6rjd by Molmil
Cryo-EM structure of St1Cas9-sgRNA-tDNA59-ntPAM complex.
Descriptor: Streptococcus Thermophilus 1 Cas9, ntPAM, sgRNA (78-MER), ...
Authors:Goulet, A, Chaves-Sanjuan, A, Cambillau, C.
Deposit date:2019-04-26
Release date:2019-10-02
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cas9 Allosteric Inhibition by the Anti-CRISPR Protein AcrIIA6.
Mol.Cell, 76, 2019
6NJ1
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BU of 6nj1 by Molmil
Crystal structure of class A beta-lactamase from Clostridium kluyveri DSM 555
Descriptor: Beta-lactamase, CHLORIDE ION
Authors:Michalska, K, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-01-02
Release date:2019-01-16
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Crystal structure of class A beta-lactamase from Clostridium kluyveri DSM 555
To Be Published
7K75
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BU of 7k75 by Molmil
Crystal structure of MAD2-6 IgA Fab in complex with PfCSP N-terminal peptide.
Descriptor: Heavy chain of MAD2-6 IgA Fab, Light chain of MAD2-6 IgA Fab, PfCSP N-terminal peptide P17
Authors:Pholcharee, T, Wilson, I.A.
Deposit date:2020-09-22
Release date:2021-06-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Functional human IgA targets a conserved site on malaria sporozoites.
Sci Transl Med, 13, 2021

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PDB entries from 2024-10-09

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