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5TRZ
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BU of 5trz by Molmil
Crystal structure of MHC-I H2-KD complexed with peptides of Mycobacterial tuberculosis (YQSGLSIVM)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
Authors:Jiang, J, Natarajan, K, Margulies, D.
Deposit date:2016-10-27
Release date:2018-05-09
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.247 Å)
Cite:MHC-restricted Ag85B-specific CD8+T cells are enhanced by recombinant BCG prime and DNA boost immunization in mice.
Eur.J.Immunol., 2019
4WSR
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BU of 4wsr by Molmil
The crystal structure of hemagglutinin form A/chicken/New York/14677-13/1998
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:Yang, H, Carney, P.J, Chang, J.C, Villanueva, J.M, Stevens, J.
Deposit date:2014-10-28
Release date:2015-02-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and receptor binding preferences of recombinant hemagglutinins from avian and human h6 and h10 influenza a virus subtypes.
J.Virol., 89, 2015
6B9Z
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BU of 6b9z by Molmil
Trastuzumab Fab v3
Descriptor: Immunoglobulin G binding protein A, Protein L, Trastuzumab Fab heavy chain, ...
Authors:Bzymek, K.P, King, J.D, Williams, J.C.
Deposit date:2017-10-11
Release date:2018-09-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Template-Catalyzed, Disulfide Conjugation of Monoclonal Antibodies Using a Natural Amino Acid Tag.
Bioconjug. Chem., 29, 2018
4WSU
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BU of 4wsu by Molmil
The crystal structure of hemagglutinin from A/Taiwan/1/2013 in complex with 3'SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
Authors:Yang, H, Carney, P.J, Chang, J.C, Villanueva, J.M, Stevens, J.
Deposit date:2014-10-28
Release date:2015-02-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and receptor binding preferences of recombinant hemagglutinins from avian and human h6 and h10 influenza a virus subtypes.
J.Virol., 89, 2015
4WXY
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BU of 4wxy by Molmil
PLPS (inactive glutaminase mutant) co-crystallized with glutamine and R5P.
Descriptor: Glutamine amidotransferase subunit PdxT, Pyridoxal biosynthesis lyase PdxS
Authors:Smith, J.L, Smith, A.M.
Deposit date:2014-11-14
Release date:2015-01-14
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures capture three states in the catalytic cycle of a pyridoxal phosphate (PLP) synthase.
J.Biol.Chem., 290, 2015
2OYU
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BU of 2oyu by Molmil
Indomethacin-(S)-alpha-ethyl-ethanolamide bound to Cyclooxygenase-1
Descriptor: 2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-N-[(1S)-1-(HYDROXYMETHYL)PROPYL]ACETAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Harman, C.A, Garavito, R.M.
Deposit date:2007-02-23
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of enantioselective inhibition of cyclooxygenase-1 by S-alpha-substituted indomethacin ethanolamides.
J.Biol.Chem., 282, 2007
6BCE
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BU of 6bce by Molmil
Wild-type I-LtrI bound to cognate substrate (pre-cleavage complex)
Descriptor: CALCIUM ION, DNA (27-MER), Ribosomal protein 3/homing endonuclease-like fusion protein
Authors:Brown, C, Zhang, K, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M.
Deposit date:2017-10-20
Release date:2018-10-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Active site residue identity regulates cleavage preference of LAGLIDADG homing endonucleases.
Nucleic Acids Res., 46, 2018
6BET
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BU of 6bet by Molmil
Solution structure of de novo macrocycle design12_ss
Descriptor: H(DPR)(DVA)CIP(DPR)E(DLY)VC(DGL)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
4WTV
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BU of 4wtv by Molmil
Crystal structure of the phosphatidylinositol 4-kinase IIbeta
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Phosphatidylinositol 4-kinase type 2-beta,Endolysin,Phosphatidylinositol 4-kinase type 2-beta
Authors:Klima, M, Baumlova, A, Chalupska, D, Boura, E.
Deposit date:2014-10-30
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The high-resolution crystal structure of phosphatidylinositol 4-kinase II beta and the crystal structure of phosphatidylinositol 4-kinase II alpha containing a nucleoside analogue provide a structural basis for isoform-specific inhibitor design.
Acta Crystallogr.,Sect.D, 71, 2015
2P23
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BU of 2p23 by Molmil
Crystal structure of human FGF19
Descriptor: Fibroblast growth factor 19
Authors:Mohammadi, M.
Deposit date:2007-03-06
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular insights into the klotho-dependent, endocrine mode of action of fibroblast growth factor 19 subfamily members.
Mol.Cell.Biol., 27, 2007
5U6X
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BU of 5u6x by Molmil
COX-1:P6 COMPLEX STRUCTURE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Cingolani, G, Panella, A, Perrone, M.G, Vitale, P, Smith, W.L, Scilimati, A.
Deposit date:2016-12-09
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Structural basis for selective inhibition of Cyclooxygenase-1 (COX-1) by diarylisoxazoles mofezolac and 3-(5-chlorofuran-2-yl)-5-methyl-4-phenylisoxazole (P6).
Eur J Med Chem, 138, 2017
6BF5
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BU of 6bf5 by Molmil
Solution structure of de novo macrocycle design7.3a
Descriptor: QDP(DPR)K(DTH)(DAS)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2018-01-10
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BEO
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BU of 6beo by Molmil
Solution structure of de novo macrocycle design9.1
Descriptor: (DPR)PY(DHI)PKDL(DGN)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BER
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BU of 6ber by Molmil
Solution structure of de novo macrocycle design10.2
Descriptor: E(DVA)DP(DGL)(DHI)(DPR)N(DAL)(DPR)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
5U8Q
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BU of 5u8q by Molmil
Structure of the ectodomain of the human Type 1 insulin-like growth factor receptor in complex with IGF-I
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-MALATE, ...
Authors:Lawrence, M, Xu, Y.
Deposit date:2016-12-14
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2710402 Å)
Cite:How ligand binds to the type 1 insulin-like growth factor receptor.
Nat Commun, 9, 2018
6BEQ
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BU of 6beq by Molmil
Solution structure of de novo macrocycle design10.1
Descriptor: AAR(DVA)(DPR)R(DLE)(DTH)PE
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2018-01-10
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
4X4I
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BU of 4x4i by Molmil
RADIATION DAMAGE TO THE NUCLEOPROTEIN COMPLEX C.Esp1396I: DOSE (DWD) 44.6 MGy
Descriptor: 35-MER DNA, Regulatory protein
Authors:Bury, C.S, McGeehan, J.E, Garman, E.F.
Deposit date:2014-12-02
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Radiation damage to nucleoprotein complexes in macromolecular crystallography.
J.Synchrotron Radiat., 22, 2015
6BE9
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BU of 6be9 by Molmil
Solution structure of de novo macrocycle design7.1
Descriptor: T(DLY)NDT(DSG)(DPR)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, B.
Deposit date:2017-10-24
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
2P87
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BU of 2p87 by Molmil
Crystal structure of the C-terminal domain of C. elegans pre-mRNA splicing factor Prp8
Descriptor: Pre-mRNA-splicing factor Prp8
Authors:Zhang, L, Shen, J, Guarnieri, M.T, Heroux, A, Yang, K, Zhao, R.
Deposit date:2007-03-21
Release date:2007-05-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the C-terminal domain of splicing factor Prp8 carrying retinitis pigmentosa mutants
Protein Sci., 16, 2007
4X4H
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BU of 4x4h by Molmil
RADIATION DAMAGE TO THE NUCLEOPROTEIN COMPLEX C.Esp1396I: DOSE (DWD) 35.7 MGy
Descriptor: 35-MER DNA, Regulatory protein
Authors:Bury, C.S, McGeehan, J.E, Garman, E.F.
Deposit date:2014-12-02
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Radiation damage to nucleoprotein complexes in macromolecular crystallography.
J.Synchrotron Radiat., 22, 2015
4X7C
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BU of 4x7c by Molmil
Crystal structure of Saga-2006 GII.4 P domain in complex with Nano-85
Descriptor: Nano-85 Nanobody, VP1
Authors:Koromyslova, A.D, Hansman, G.S.
Deposit date:2014-12-09
Release date:2014-12-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nanobody binding to a conserved epitope promotes norovirus particle disassembly.
J.Virol., 89, 2015
4X7R
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BU of 4x7r by Molmil
Crystal structure of S. aureus TarM G117R mutant in complex with Fondaparinux, alpha-GlcNAc-glycerol and UDP
Descriptor: (2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, TarM, ...
Authors:Worrall, L.J, Sobhanifar, S, Strynadka, N.C.
Deposit date:2014-12-09
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure and mechanism of Staphylococcus aureus TarM, the wall teichoic acid alpha-glycosyltransferase.
Proc.Natl.Acad.Sci.USA, 112, 2015
5UE4
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BU of 5ue4 by Molmil
proMMP-9desFnII complexed to JNJ0966 INHIBITOR
Descriptor: CALCIUM ION, Matrix metalloproteinase-9, SULFATE ION, ...
Authors:Alexander, R.S, Spurlino, J, Milligan, C.
Deposit date:2016-12-29
Release date:2017-09-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a highly selective chemical inhibitor of matrix metalloproteinase-9 (MMP-9) that allosterically inhibits zymogen activation.
J. Biol. Chem., 292, 2017
4X8W
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BU of 4x8w by Molmil
dsRBD3 of Loquacious
Descriptor: GLYCEROL, Loquacious, isoform B
Authors:Jakob, L, Treiber, N, Treiber, T, Stotz, M, Meister, G.
Deposit date:2014-12-10
Release date:2016-01-13
Method:X-RAY DIFFRACTION (2.647 Å)
Cite:Structure of the dsRBD3 of Loquacious reveals features for dimerization and Dicer1-interaction
To Be Published
6BZQ
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BU of 6bzq by Molmil
Crystal structure of halogenase PltM in complex with FAD
Descriptor: BROMIDE ION, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2017-12-25
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Unusual substrate and halide versatility of phenolic halogenase PltM.
Nat Commun, 10, 2019

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