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3SJK
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Crystal structure of the C147A mutant 3C from enterovirus 71
Descriptor: 3C protease, KPVLRTATVQGPSLDF peptide
Authors:Lu, G, Qi, J, Chen, Z, Xu, X, Gao, F, Lin, D, Qian, W, Liu, H, Jiang, H, Yan, J, Gao, G.F.
Deposit date:2011-06-21
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design.
J.Virol., 85, 2011
3SJ9
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crystal structure of the C147A mutant 3C of CVA16 in complex with FAGLRQAVTQ peptide
Descriptor: 3C protease, FAGLRQAVTQ peptide
Authors:Lu, G, Qi, J, Chen, Z, Xu, X, Gao, F, Lin, D, Qian, W, Liu, H, Jiang, H, Yan, J, Gao, G.F.
Deposit date:2011-06-21
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design.
J.Virol., 85, 2011
6NJ0
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Wild-type E. coli MenE with bound m phenylether-linked analogue of OSB-AMS
Descriptor: 2-succinylbenzoate--CoA ligase, 5'-O-{3-[3-(2-carboxyphenyl)-3-oxopropyl]phenyl}adenosine
Authors:Si, Y, Yin, Y, French, J.B, Tonge, P.J.
Deposit date:2019-01-02
Release date:2019-04-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure-Based Design, Synthesis, and Biological Evaluation of Non-Acyl Sulfamate Inhibitors of the Adenylate-Forming Enzyme MenE.
Biochemistry, 58, 2019
6NTU
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Crystal Structure of human PARP-1 ART domain bound to inhibitor UKTT-15
Descriptor: DIMETHYL SULFOXIDE, PENTAETHYLENE GLYCOL, Poly [ADP-ribose] polymerase 1, ...
Authors:Langelier, M.F, Pascal, J.M.
Deposit date:2019-01-30
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for allosteric PARP-1 retention on DNA breaks.
Science, 368, 2020
3M0J
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Structure of oxaloacetate acetylhydrolase in complex with the inhibitor 3,3-difluorooxalacetate
Descriptor: 2,2-difluoro-3,3-dihydroxybutanedioic acid, CALCIUM ION, MANGANESE (II) ION, ...
Authors:Herzberg, O, Chen, C.
Deposit date:2010-03-03
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of oxalacetate acetylhydrolase, a virulence factor of the chestnut blight fungus.
J.Biol.Chem., 285, 2010
3SMB
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Phenethylisothiocyanate Covalently Bound to Macrophage Migration Inhibitory Factor (MIF)
Descriptor: CHLORIDE ION, Macrophage migration inhibitory factor, N-(2-phenylethyl)thioformamide, ...
Authors:Crichlow, G.V, Lolis, E.J.
Deposit date:2011-06-27
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural interactions dictate the kinetics of macrophage migration inhibitory factor inhibition by different cancer-preventive isothiocyanates.
Biochemistry, 51, 2012
6NMO
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Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand SR-4
Descriptor: 1,2-ETHANEDIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, DIMETHYL SULFOXIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-01-11
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand SR-4.
To be Published
3MP3
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Crystal Structure of Human Lyase in complex with inhibitor HG-CoA
Descriptor: (3R,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide, 3-HYDROXYPENTANEDIOIC ACID, Hydroxymethylglutaryl-CoA lyase, ...
Authors:Fu, Z, Runquist, J.A, Montgomery, C, Miziorko, H.M, Kim, J.-J.P.
Deposit date:2010-04-24
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Functional insights into human HMG-CoA lyase from structures of Acyl-CoA-containing ternary complexes.
J.Biol.Chem., 285, 2010
3MDA
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DNA polymerase lambda in complex with araC
Descriptor: DNA (5'-D(*CP*AP*GP*TP*AP*CP*(CAR))-3'), DNA (5'-D(*CP*GP*GP*CP*GP*GP*TP*AP*CP*TP*G)-3'), DNA (5'-D(P*GP*CP*CP*G)-3'), ...
Authors:Garcia-Diaz, M, Murray, M, Kunkel, T, Chou, K.M.
Deposit date:2010-03-30
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.031 Å)
Cite:Interaction between DNA Polymerase lambda and anticancer nucleoside analogs.
J.Biol.Chem., 285, 2010
6NSS
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TRK-A IN COMPLEX WITH LIGAND 6
Descriptor: High affinity nerve growth factor receptor, N-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10H-phenoxazin-10-yl)acetamide
Authors:Subramanian, G, Brown, D.G.
Deposit date:2019-01-25
Release date:2019-05-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors.
Acs Chem.Biol., 14, 2019
3MGI
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Ternary complex of a DNA polymerase lambda loop mutant
Descriptor: 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, DNA, DNA (5'-D(*CP*AP*GP*TP*AP*T)-3'), ...
Authors:Garcia-Diaz, M, Bebenek, K, Zhou, R.Z, Povirk, L.F, Kunkel, T.
Deposit date:2010-04-06
Release date:2010-05-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Loop 1 modulates the fidelity of DNA polymerase lambda
Nucleic Acids Res., 38, 2010
3MGO
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Crystal structure of a H5-specific CTL epitope derived from H5N1 influenza virus in complex with HLA-A*0201
Descriptor: 10-meric peptide from Hemagglutinin, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Sun, Y, Liu, J, Yang, M, Gao, F, Zhou, J, Kitamura, Y.
Deposit date:2010-04-07
Release date:2010-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Identification and structural definition of H5-specific CTL epitopes restricted by HLA-A*0201 derived from the H5N1 subtype of influenza A viruses
J.Gen.Virol., 91, 2010
6NB8
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Crystal structure of anti- SARS-CoV human neutralizing S230 antibody Fab fragment
Descriptor: S230 antigen-binding (Fab) fragment, heavy chain, light chain
Authors:Walls, A.J, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, J, Quispe, J, Cameroni, E, Gopal, R, Dai, M, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-12-06
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019
6NL7
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Crystal structure of B1 immunoglobulin-binding domain of Streptococcal Protein G (T16F, T18A, V21H, T25H, K28Y, V29I, K31R, Q32A, Y33L, N35K, D36A, N37Q)
Descriptor: ACETATE ION, CHLORIDE ION, DIPHOSPHATE, ...
Authors:Maniaci, B, Stec, B, Huxford, T.
Deposit date:2019-01-08
Release date:2019-01-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design of High-Affinity Metal-Controlled Protein Dimers.
Biochemistry, 58, 2019
6NTP
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PTP1B Domain of PTP1B-LOV2 Chimera
Descriptor: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1,NPH1-1
Authors:Hongdusit, A, Sankaran, B, Zwart, P.H, Fox, J.M.
Deposit date:2019-01-30
Release date:2020-01-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Minimally disruptive optical control of protein tyrosine phosphatase 1B.
Nat Commun, 11, 2020
6NB5
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Crystal structure of anti- MERS-CoV human neutralizing LCA60 antibody Fab fragment
Descriptor: LCA60 antigen-binding (Fab) fragment, heavy chain, light chain
Authors:Walls, A.J, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, J, Quispe, J, Cameroni, E, Gopal, R, Dai, M, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-12-06
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019
6NB9
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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
3OKD
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Crystal structure of S25-39 in complex with Kdo
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, DI(HYDROXYETHYL)ETHER, S25-39 Fab (IgG1k) heavy chain, ...
Authors:Blackler, R.J, Evans, S.V.
Deposit date:2010-08-24
Release date:2011-04-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Common NH53K Mutation in the Combining Site of Antibodies Raised against Chlamydial LPS Glycoconjugates Significantly Increases Avidity.
Biochemistry, 50, 2011
3OPD
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Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of a benzamide derivative
Descriptor: 4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide, Heat shock protein 83
Authors:Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Sullivan, H, Chamberlain, K, Weadge, J, Cossar, D, Li, Y, Kozieradzki, I, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Wyatt, P.G, Fairlamb, A.H, MacKenzie, C, Ferguson, M.A.J, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2010-08-31
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design.
PLoS Negl Trop Dis, 7, 2013
3T1N
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BU of 3t1n by Molmil
Structure of human MICROCEPHALIN (MCPH1) TANDEM BRCT domains in complex with a CDC27 phosphopeptide
Descriptor: Cdc27 peptide, Microcephalin
Authors:Singh, N, Thompson, J.R, Mer, G.
Deposit date:2011-07-22
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular Basis for the Association of Microcephalin (MCPH1) Protein with the Cell Division Cycle Protein 27 (Cdc27) Subunit of the Anaphase-promoting Complex.
J.Biol.Chem., 287, 2012
3T6U
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Crystal Structure of Lysozyme in 40% sucrose
Descriptor: CHLORIDE ION, Lysozyme, SODIUM ION, ...
Authors:Sharma, P, Singh, S, Ashish
Deposit date:2011-07-29
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.213 Å)
Cite:Crystal Structure of Lysozyme in 40% sucrose
to be published
8R07
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C-terminal Rel-homology Domain of NFAT1
Descriptor: Nuclear factor of activated T-cells, cytoplasmic 2
Authors:Zak, K.M, Boettcher, J.
Deposit date:2023-10-30
Release date:2024-03-06
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Ligandability assessment of the C-terminal Rel-homology domain of NFAT1.
Arch Pharm, 357, 2024
6NE0
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BU of 6ne0 by Molmil
Structure of double-stranded target DNA engaged Csy complex from Pseudomonas aeruginosa (PA-14)
Descriptor: CRISPR RNA (60-MER), CRISPR target DNA (44-MER), CRISPR-associated endonuclease Cas6/Csy4, ...
Authors:Chowdhury, S, Rollins, M.F, Carter, J, Golden, S.M, Miettinen, H.M, Santiago-Frangos, A, Faith, D, Lawrence, M.C, Wiedenheft, B, Lander, G.C.
Deposit date:2018-12-15
Release date:2018-12-26
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure Reveals a Mechanism of CRISPR-RNA-Guided Nuclease Recruitment and Anti-CRISPR Viral Mimicry.
Mol. Cell, 74, 2019
6MRM
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Red Clover Necrotic Mosaic Virus
Descriptor: CALCIUM ION, Capsid protein
Authors:Sherman, M.B, Smith, T.J.
Deposit date:2018-10-14
Release date:2019-10-16
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Near-Atomic-Resolution Cryo-Electron Microscopy Structures of Cucumber Leaf Spot Virus and Red Clover Necrotic Mosaic Virus: Evolutionary Divergence at the Icosahedral Three-Fold Axes.
J.Virol., 94, 2020
3SO2
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Chlorella dUTPase
Descriptor: Putative uncharacterized protein
Authors:Badalucco, L, Poudel, I, Natarajan, c, Yamanishi, M, Moriyama, H.
Deposit date:2011-06-29
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6428 Å)
Cite:Crystallization of Chlorella deoxyuridine triphosphatase.
Acta Crystallogr.,Sect.F, 67, 2011

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