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4WA3
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BU of 4wa3 by Molmil
The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New England harbor seals
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NICKEL (II) ION, ...
Authors:Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
Deposit date:2014-08-28
Release date:2015-01-14
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
6L0P
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BU of 6l0p by Molmil
Crystal Structure of the O-Phosphoserine Sulfhydrylase from Aeropyrum pernix Complexed with O-Phosphoserine
Descriptor: (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Protein CysO
Authors:Nakabayashi, M, Takeda, E, Ishikawa, K, Nakamura, T.
Deposit date:2019-09-26
Release date:2020-09-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Identification of amino acid residues important for recognition of O-phospho-l-serine substrates by cysteine synthase.
J.Biosci.Bioeng., 131, 2021
4WAC
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BU of 4wac by Molmil
Crystal Structure of TarM
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Koc, C, Stehle, T, Xia, G, Peschel, A.
Deposit date:2014-08-29
Release date:2015-02-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Enzymatic Analysis of TarM Glycosyltransferase from Staphylococcus aureus Reveals an Oligomeric Protein Specific for the Glycosylation of Wall Teichoic Acid.
J.Biol.Chem., 290, 2015
4WAT
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BU of 4wat by Molmil
Crystal structure of PfRh5, an essential P. falciparum ligand for invasion of human erythrocytes
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IMIDAZOLE, PfRh5
Authors:Chen, L.
Deposit date:2014-09-01
Release date:2014-10-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal structure of PfRh5, an essential P. falciparum ligand for invasion of human erythrocytes.
Elife, 3, 2014
8RZ2
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BU of 8rz2 by Molmil
PfRH5 bound to monoclonal antibody R5.034
Descriptor: R5.034 heavy chain, R5.034 light chain, Reticulocyte binding protein 5
Authors:Farrell, B, Higgins, M.K.
Deposit date:2024-02-11
Release date:2024-07-17
Last modified:2025-01-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Rational structure-guided design of a blood stage malaria vaccine immunogen presenting a single epitope from PfRH5.
Embo Mol Med, 16, 2024
4W5J
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BU of 4w5j by Molmil
New structural conformations of adenylate kinase from Streptococcus pneumoniae D39 with Ap5A
Descriptor: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION
Authors:Thach, T.T, Lee, S.H.
Deposit date:2014-08-18
Release date:2014-11-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:New crystal structures of adenylate kinase from Streptococcus pneumoniae D39 in two conformations.
Acta Crystallogr.,Sect.F, 70, 2014
8RZ1
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BU of 8rz1 by Molmil
Synthetic immunogen RH5-34EM bound to monoclonal antibody R5.034
Descriptor: R5.034 scFv, RH5-34EM
Authors:Farrell, B, Higgins, M.K.
Deposit date:2024-02-11
Release date:2024-07-17
Last modified:2025-01-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Rational structure-guided design of a blood stage malaria vaccine immunogen presenting a single epitope from PfRH5.
Embo Mol Med, 16, 2024
7RSJ
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BU of 7rsj by Molmil
Structure of the VPS34 kinase domain with compound 14
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ...
Authors:Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
Deposit date:2021-08-11
Release date:2021-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
5D14
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BU of 5d14 by Molmil
The atomic resolution crystal structure of human IL-8
Descriptor: Interleukin-8
Authors:Brzezinski, K, Pompeu, Y, Lu, S, Jakoncic, J, Ostrov, D.A.
Deposit date:2015-08-03
Release date:2015-12-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1 Å)
Cite:The atomic resolution crystal structure of human IL-8
To Be Published
7RSP
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BU of 7rsp by Molmil
Structure of the VPS34 kinase domain with compound 14
Descriptor: (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3
Authors:Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
Deposit date:2021-08-11
Release date:2021-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
5D1U
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BU of 5d1u by Molmil
Anthrax toxin lethal factor with hydroxamic acid inhibitor
Descriptor: Lethal factor, N~2~-(6-aminohexyl)-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ZINC ION
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2015-08-04
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8503 Å)
Cite:Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates.
J.Med.Chem., 58, 2015
7RSV
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BU of 7rsv by Molmil
Structure of the VPS34 kinase domain with compound 5
Descriptor: (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ...
Authors:Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
Deposit date:2021-08-11
Release date:2021-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
5XSY
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BU of 5xsy by Molmil
Structure of the Nav1.4-beta1 complex from electric eel
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein, Voltage-gated sodium channel beta subunit 1, ...
Authors:Yan, Z, Zhou, Q, Wu, J.P, Yan, N.
Deposit date:2017-06-15
Release date:2017-08-09
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of the Nav1.4-beta 1 Complex from Electric Eel.
Cell, 170, 2017
7RUU
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BU of 7ruu by Molmil
Structure of Human ATP:Cobalamin Adenosyltransferase R190C bound to adenosylcobalamin
Descriptor: 5'-DEOXYADENOSINE, ACETATE ION, COBALAMIN, ...
Authors:Mascarenhas, R, Gouda, H, Koutmos, M, Banerjee, R.
Deposit date:2021-08-18
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Patient mutations in human ATP:cob(I)alamin adenosyltransferase differentially affect its catalytic versus chaperone functions.
J.Biol.Chem., 297, 2021
5D5X
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BU of 5d5x by Molmil
Crystal structure of Chaetomium thermophilum Skn7 with SSRE DNA
Descriptor: Putative transcription factor, SSRE DNA strand 1, SSRE DNA strand 2
Authors:Neudegger, T, Verghese, J, Hayer-Hartl, M, Hartl, F.U, Bracher, A.
Deposit date:2015-08-11
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of human heat-shock transcription factor 1 in complex with DNA.
Nat.Struct.Mol.Biol., 23, 2016
2IC8
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BU of 2ic8 by Molmil
Crystal structure of GlpG
Descriptor: Protein glpG, nonyl beta-D-glucopyranoside
Authors:Ha, Y.
Deposit date:2006-09-12
Release date:2006-10-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a rhomboid family intramembrane protease.
Nature, 444, 2006
2IPM
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BU of 2ipm by Molmil
Crystal structure of a disulfide mutant glucose binding protein
Descriptor: CALCIUM ION, D-galactose-binding periplasmic protein, beta-D-glucopyranose
Authors:Cuneo, M.J, Hellinga, H.W.
Deposit date:2006-10-12
Release date:2007-03-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:The free energy cost of domain reorganization in E. coli glucose binding protein
To be Published
4WD2
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BU of 4wd2 by Molmil
Crystal structure of an aromatic amino acid aminotransferase from Burkholderia cenocepacia J2315
Descriptor: Aromatic-amino-acid transaminase TyrB, GLYCEROL
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-09-06
Release date:2014-10-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of an aromatic amino acid aminotransferase from Burkholderia cenocepacia J2315
to be published
4WDD
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BU of 4wdd by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation T232A, complexed with citrate
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION, CITRIC ACID, ...
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-08
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
5D3F
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BU of 5d3f by Molmil
Crystal structure of human 14-3-3 zeta in complex with CFTR R-domain peptide pS753-pS768 and stabilizer fusicoccin-A
Descriptor: 14-3-3 protein zeta/delta, Cystic fibrosis transmembrane conductance regulator, FUSICOCCIN
Authors:Stevers, L.M, Leysen, S.F.R, Ottmann, C.
Deposit date:2015-08-06
Release date:2016-03-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Characterization and small-molecule stabilization of the multisite tandem binding between 14-3-3 and the R domain of CFTR.
Proc.Natl.Acad.Sci.USA, 113, 2016
7RUT
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BU of 7rut by Molmil
Structure of Human ATP:Cobalamin Adenosyltransferase R190C bound to ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Corrinoid adenosyltransferase, GLYCEROL, ...
Authors:Mascarenhas, R, Gouda, H, Koutmos, M, Banerjee, R.
Deposit date:2021-08-18
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Patient mutations in human ATP:cob(I)alamin adenosyltransferase differentially affect its catalytic versus chaperone functions.
J.Biol.Chem., 297, 2021
5D6Q
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BU of 5d6q by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea, DNA gyrase subunit B, ...
Authors:Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
Deposit date:2015-08-12
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
4WC0
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BU of 4wc0 by Molmil
tRNA-processing enzyme with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Poly A polymerase
Authors:Yamashita, S, Tomita, K.
Deposit date:2014-09-04
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme.
Structure, 23, 2015
4WCE
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BU of 4wce by Molmil
The crystal structure of the large ribosomal subunit of Staphylococcus aureus
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 23S rRNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eyal, Z, Matzov, D, Krupkin, M, Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A.
Deposit date:2014-09-04
Release date:2015-10-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.526 Å)
Cite:Structural insights into species-specific features of the ribosome from the pathogen Staphylococcus aureus.
Proc.Natl.Acad.Sci.USA, 112, 2015
7RUV
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BU of 7ruv by Molmil
Structure of Human ATP:Cobalamin Adenosyltransferase E193K bound to adenosylcobalamin
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, Corrinoid adenosyltransferase, ...
Authors:Mascarenhas, R, Gouda, H, Koutmos, M, Banerjee, R.
Deposit date:2021-08-18
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Patient mutations in human ATP:cob(I)alamin adenosyltransferase differentially affect its catalytic versus chaperone functions.
J.Biol.Chem., 297, 2021

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