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5WWK
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BU of 5wwk by Molmil
Highly stable green fluorescent protein
Descriptor: Green fluorescent protein
Authors:Sriram, R, George, A, Kesavan, M, Jaimohan, S.M, Kamini, N.R, Easwaramoorthi, S, Ganesh, S, Gunasekaran, K, Ayyadurai, N.
Deposit date:2017-01-02
Release date:2017-12-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.199 Å)
Cite:Excited State Electronic Interconversion and Structural Transformation of Engineered Red-Emitting Green Fluorescent Protein Mutant.
J.Phys.Chem.B, 123, 2019
5WX5
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BU of 5wx5 by Molmil
Alkylquinolone synthase Y215V mutant from Evodia rutaecarpa
Descriptor: Alkylquinolone synthase
Authors:Matsui, T, Kodama, T, Tadakoshi, T, Morita, H.
Deposit date:2017-01-06
Release date:2017-04-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.058 Å)
Cite:2-Alkylquinolone alkaloid biosynthesis in the medicinal plant Evodia rutaecarpa involves collaboration of two novel type III polyketide synthases
J. Biol. Chem., 292, 2017
5WDH
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BU of 5wdh by Molmil
Motor domain of human kinesin family member C1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC1, MAGNESIUM ION, ...
Authors:Zhu, H, Tempel, W, He, H, Shen, Y, Wang, J, Brothers, G, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2017-07-05
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.248 Å)
Cite:Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
5WDP
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BU of 5wdp by Molmil
H-Ras mutant L120A bound to GMP-PNP at 277K
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Cofsky, J.C, Bandaru, P, Gee, C.L, Kuriyan, J.
Deposit date:2017-07-05
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
4WTY
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BU of 4wty by Molmil
Structure of the PTP-like myo-inositol phosphatase from Selenomonas ruminantium in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate
Descriptor: CHLORIDE ION, GLYCEROL, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, ...
Authors:Bruder, L.M, Mosimann, S.C.
Deposit date:2014-10-30
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the PTP-like phytase from Selenomonas ruminantium in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate
To Be Published
4WU3
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BU of 4wu3 by Molmil
Structure of the PTP-like myo-inositol phosphatase from Mitsuokella multacida in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate
Descriptor: GLYCEROL, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, MYO-INOSITOL PHOSPHOHYDROLASE, ...
Authors:Bruder, L.M, Mosimann, S.C.
Deposit date:2014-10-30
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the PTP-like phytase from Selenomonas ruminantium in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate
To Be Published
4WG4
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BU of 4wg4 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1613
Descriptor: 3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-09-17
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1613
to be published
5WDE
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BU of 5wde by Molmil
Crystal structure of the KIFC3 motor domain in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC3, MAGNESIUM ION, ...
Authors:Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2017-07-05
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
5WIK
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BU of 5wik by Molmil
JAK2 Pseudokinase in complex with BI-D1870
Descriptor: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, Tyrosine-protein kinase JAK2
Authors:Li, Q, Eck, M.J, Li, K, Park, E.
Deposit date:2017-07-19
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain.
ACS Chem. Biol., 14, 2019
5WIM
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BU of 5wim by Molmil
JAK2 Pseudokinase in complex with AT9283
Descriptor: 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, Tyrosine-protein kinase JAK2
Authors:Li, Q, Eck, M.J, Li, K, Park, E.
Deposit date:2017-07-19
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain.
ACS Chem. Biol., 14, 2019
5WI6
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BU of 5wi6 by Molmil
Human beta-1 tryptase mutant Ile99Cys
Descriptor: L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, SULFATE ION, Tryptase alpha/beta-1
Authors:Eigenbrot, C, Maun, H.R.
Deposit date:2017-07-18
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Dual functionality of beta-tryptase protomers as both proteases and cofactors in the active tetramer.
J. Biol. Chem., 293, 2018
5WIJ
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BU of 5wij by Molmil
JAK2 Pseudokinase in complex with NU6140
Descriptor: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, Tyrosine-protein kinase JAK2
Authors:Li, Q, Eck, M.J, Li, K, Park, E.
Deposit date:2017-07-19
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain.
ACS Chem. Biol., 14, 2019
5WIL
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BU of 5wil by Molmil
JAK2 Pseudokinase in complex with AZD7762
Descriptor: 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, Tyrosine-protein kinase JAK2
Authors:Li, Q, Eck, M.J, Li, K, Park, E.
Deposit date:2017-07-19
Release date:2018-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain.
ACS Chem. Biol., 14, 2019
5WIZ
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BU of 5wiz by Molmil
Phosphotriesterase variant S5
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
Authors:Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
Deposit date:2017-07-21
Release date:2019-01-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Phosphotriesterase variant S5
To Be Published
5WJO
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BU of 5wjo by Molmil
Crystal structure of the unliganded PG90 TCR
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, PG90 TCR alpha chain, ...
Authors:Shahine, A, Gras, S, Rossjohn, J.
Deposit date:2017-07-24
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
4WSE
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BU of 4wse by Molmil
Crystal structure of the Mimivirus polyadenylate synthase
Descriptor: Putative poly(A) polymerase catalytic subunit
Authors:Priet, S, Lartigue, A, Claverie, J.M, Abergel, C.
Deposit date:2014-10-27
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:mRNA maturation in giant viruses: variation on a theme.
Nucleic Acids Res., 43, 2015
4WSJ
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BU of 4wsj by Molmil
Crystal structure of a bacterial fucodiase in complex with 1-((1R,2R,3R,4R,5R,6R)-2,3,4-trihydroxy-5-methyl-7-azabicyclo[4.1.0]heptan-7-yl)ethan-1-one
Descriptor: Alpha-L-fucosidase, N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide, SULFATE ION
Authors:Davies, G.J, Wright, D.W.
Deposit date:2014-10-28
Release date:2014-11-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:In vitroandin vivocomparative and competitive activity-based protein profiling of GH29 alpha-l-fucosidases.
Chem Sci, 6, 2015
5WL0
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BU of 5wl0 by Molmil
Co-crystal structure of Influenza A H3N2 PB2 (241-741) bound to VX-787
Descriptor: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, Polymerase basic protein 2
Authors:Ma, X, Shia, S.
Deposit date:2017-07-25
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for therapeutic inhibition of influenza A polymerase PB2 subunit.
Sci Rep, 7, 2017
5WLI
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BU of 5wli by Molmil
Crystal Structure of H-2Db with the GAP501 peptide (SQL)
Descriptor: Beta-2-microglobulin, GAP50 peptide, H-2 class I histocompatibility antigen, ...
Authors:Gras, S, Farenc, C, Josephs, T, Rossjohn, J.
Deposit date:2017-07-27
Release date:2017-11-15
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A T Cell Receptor Locus Harbors a Malaria-Specific Immune Response Gene.
Immunity, 47, 2017
4WLP
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BU of 4wlp by Molmil
Crystal structure of UCH37-NFRKB Inhibited Deubiquitylating Complex
Descriptor: Nuclear factor related to kappa-B-binding protein, Ubiquitin carboxyl-terminal hydrolase isozyme L5
Authors:Hemmis, C.W, Hill, C.P, VanderLinden, R, Whitby, F.G.
Deposit date:2014-10-07
Release date:2015-03-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:Structural Basis for the Activation and Inhibition of the UCH37 Deubiquitylase.
Mol.Cell, 57, 2015
4WFC
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BU of 4wfc by Molmil
Structure of the Rrp6-Rrp47 interaction
Descriptor: Exosome complex exonuclease RRP6, Exosome complex protein LRP1, SULFATE ION
Authors:Schuch, B, Conti, E.
Deposit date:2014-09-14
Release date:2014-10-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The exosome-binding factors Rrp6 and Rrp47 form a composite surface for recruiting the Mtr4 helicase.
Embo J., 33, 2014
4WFL
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BU of 4wfl by Molmil
Structure of the complete bacterial SRP Alu domain
Descriptor: COBALT HEXAMMINE(III), MAGNESIUM ION, RNA
Authors:Kempf, G, Wild, K, Sinning, I.
Deposit date:2014-09-15
Release date:2014-10-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structure of the complete bacterial SRP Alu domain.
Nucleic Acids Res., 42, 2014
4WH0
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BU of 4wh0 by Molmil
YcaC from Pseudomonas aeruginosa with S-mercaptocysteine active site cysteine
Descriptor: CHLORIDE ION, Putative hydrolase
Authors:Groftehauge, M.K, Truan, D, Vasil, A, Denny, P.W, Vasil, M.L, Pohl, E.
Deposit date:2014-09-19
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.563 Å)
Cite:Crystal Structure of a Hidden Protein, YcaC, a Putative Cysteine Hydrolase from Pseudomonas aeruginosa, with and without an Acrylamide Adduct.
Int J Mol Sci, 16, 2015
5WUE
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BU of 5wue by Molmil
Structural basis for conductance through TRIC cation channels
Descriptor: SULFATE ION, Uncharacterized protein
Authors:Su, M, Gao, F, Mao, Y, Li, D.L, Guo, Y.Z, Wang, X.H, Bruni, R, Kloss, B, Hendrickson, W.A, Chen, Y.H, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2016-12-17
Release date:2017-06-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for conductance through TRIC cation channels.
Nat Commun, 8, 2017
5WUU
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BU of 5wuu by Molmil
Complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2H-chromen-2-one ring
Descriptor: Bromodomain-containing protein 4, ~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide
Authors:Zhang, H, Sun, Z.Y.
Deposit date:2016-12-21
Release date:2017-04-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.724 Å)
Cite:Discovery of novel BRD4 inhibitors by high-throughput screening, crystallography, and cell-based assays.
Bioorg. Med. Chem. Lett., 27, 2017

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數據於2024-07-17公開中

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