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7XWW
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BU of 7xww by Molmil
Crystal structure of NTR in complex with BN-XB
Descriptor: 2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-8-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl]-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaene, Dihydropteridine reductase, FLAVIN MONONUCLEOTIDE
Authors:Chen, X, Chen, J, Li, J.L.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of NTR in complex with BN-XB
To Be Published
5TH7
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BU of 5th7 by Molmil
Complex of SETD8 with MS453
Descriptor: 1,2-ETHANEDIOL, N-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide, N-lysine methyltransferase KMT5A, ...
Authors:Yu, W, Tempel, W, Babault, N, Ma, A, Butler, K.V, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2016-09-29
Release date:2016-11-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.
J. Med. Chem., 59, 2016
8Q3S
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BU of 8q3s by Molmil
HsNMT1 in complex with both MyrCoA and GNCFSKAR inhibitor peptide
Descriptor: CHLORIDE ION, COENZYME A, GLY-ASN-CYS-PHE-SER-LYS-ALA-ARG, ...
Authors:Dian, C, Giglione, C, Meinnel, T.
Deposit date:2023-08-04
Release date:2024-08-14
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:HsNMT1 in complex with both MyrCoA and GNCFSKAR inhibitor peptide
to be published
6MEF
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BU of 6mef by Molmil
Crystal structure of broadly neutralizing antibody AR3C
Descriptor: antibody AR3C Heavy Chain, antibody AR3C Light Chain
Authors:Flyak, A.I, Bjorkman, P.J.
Deposit date:2018-09-06
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:HCV Broadly Neutralizing Antibodies Use a CDRH3 Disulfide Motif to Recognize an E2 Glycoprotein Site that Can Be Targeted for Vaccine Design.
Cell Host Microbe, 24, 2018
5THA
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BU of 5tha by Molmil
Gemin5 WD40 repeats in complex with a guanosyl moiety
Descriptor: DIGUANOSINE-5'-TRIPHOSPHATE, Gem-associated protein 5, UNKNOWN ATOM OR ION
Authors:Chao, X, Tempel, W, Bian, C, Cerovina, T, He, H, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2016-09-29
Release date:2016-10-19
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly.
Genes Dev., 30, 2016
7UXP
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BU of 7uxp by Molmil
Structure of PDL1 in complex with FP28132, a Helicon Polypeptide
Descriptor: AMINO GROUP, FP28132, N,N'-(1,4-phenylene)diacetamide, ...
Authors:Li, K, Agarwal, S, Tokareva, O, Thomson, T, Travaline, T, Tattersfield, H, Wahl, S, Verdine, G, McGee, J.
Deposit date:2022-05-05
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
7OJD
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BU of 7ojd by Molmil
SaFtsZ(D46A) complexed with GDP
Descriptor: 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M.
Deposit date:2021-05-14
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
7OMP
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BU of 7omp by Molmil
SaFtsZ complexed with GDPPCP and Mg2+
Descriptor: 1,2-ETHANEDIOL, Cell division protein FtsZ, MAGNESIUM ION, ...
Authors:Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M.
Deposit date:2021-05-24
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
8TTD
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BU of 8ttd by Molmil
Structure of VPS29 complexed with Fam21A repeat 21 (1328-1341)
Descriptor: FORMIC ACID, SER-ASN-ILE-PHE-ASP-ASP-PRO-LEU-ASN-ALA-PHE-GLY-GLY-GLN, Vacuolar protein sorting-associated protein 29
Authors:Chen, K.-E, Guo, Q, Collins, B.M.
Deposit date:2023-08-13
Release date:2024-08-21
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Structural basis for coupling of the WASH subunit FAM21 with the endosomal SNX27-Retromer complex.
Proc.Natl.Acad.Sci.USA, 121, 2024
6MES
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BU of 6mes by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1907)
Descriptor: 1-[(1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-1,3-dihydro-2H-imidazol-2-one, GLYCEROL, METHIONINE, ...
Authors:Barros-Alvarez, X, Hol, W.G.J.
Deposit date:2018-09-07
Release date:2019-09-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-guided discovery of selective methionyl-tRNA synthetase inhibitors with potent activity against Trypanosoma brucei
Rsc Med Chem, 2020
7UXI
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BU of 7uxi by Molmil
Structure of CDK2 in complex with FP19711, a Helicon Polypeptide
Descriptor: AMINO GROUP, Cyclin-dependent kinase 2, FP19711, ...
Authors:Li, K, Agarwal, S, Tokareva, O, Thomson, T, Wahl, S, Verdine, G, McGee, J.
Deposit date:2022-05-05
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
5THT
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BU of 5tht by Molmil
Crystal Structure of G303A HDAC8 in complex with M344
Descriptor: 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2016-09-30
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.407 Å)
Cite:Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
7OJA
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BU of 7oja by Molmil
SaFtsZ(D210N) complexed with GDP
Descriptor: 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M.
Deposit date:2021-05-14
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
7MQY
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BU of 7mqy by Molmil
Zebrafish CNTN4 APLP2 complex
Descriptor: Fusion protein of CNTN4 and APLP2
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7UX5
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BU of 7ux5 by Molmil
Structure of PDL1 in complex with FP28136, a Helicon Polypeptide
Descriptor: Helicon FP28136, N,N'-(1,4-phenylene)diacetamide, Programmed cell death 1 ligand 1
Authors:Agarwal, S, Li, K, Tokareva, O, Thomson, T, Travaline, T, Wahl, S, Verdine, G, McGee, J.
Deposit date:2022-05-05
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
7OM5
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BU of 7om5 by Molmil
Anti-EGFR nanobody EgB4
Descriptor: GLYCEROL, Nanobody EgB4, ZINC ION
Authors:Zeronian, M.R, Janssen, B.J.C.
Deposit date:2021-05-21
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural insights into the non-inhibitory mechanism of the anti-EGFR EgB4 nanobody.
Bmc Mol Cell Biol, 23, 2022
6MEI
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BU of 6mei by Molmil
Crystal structure of broadly neutralizing antibody HEPC3 in complex with Hepatitis C virus envelope glycoprotein E2 ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ...
Authors:Flyak, A.I, Bjorkman, P.J.
Deposit date:2018-09-06
Release date:2018-11-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:HCV Broadly Neutralizing Antibodies Use a CDRH3 Disulfide Motif to Recognize an E2 Glycoprotein Site that Can Be Targeted for Vaccine Design.
Cell Host Microbe, 24, 2018
8JMS
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BU of 8jms by Molmil
Crystal structure of BelL from Streptomyces cavourensis
Descriptor: BsmA domain containing protein
Authors:Shimo, S, Ushimaru, R, Mori, T, Abe, I.
Deposit date:2023-06-05
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of BelL
To Be Published
7ON4
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BU of 7on4 by Molmil
SaFtsZ complexed with GDP (co-crystalization with 1mM EDTA)
Descriptor: 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M.
Deposit date:2021-05-25
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
8TYG
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BU of 8tyg by Molmil
Plasmodium vivax PMV-WM08 inhibitor complex
Descriptor: (2E,4aR,7aS)-6-[3-(4-chlorophenyl)pyridin-2-yl]-7a-(2,5-difluorophenyl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hodder, A.N, Scally, S.W, Cowman, A.F.
Deposit date:2023-08-25
Release date:2024-08-28
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Plasmodium vivax PMV-WM08 inhibitor complex
To Be Published
7UXM
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BU of 7uxm by Molmil
Structure of PPIA in complex with FP29092, a Helicon Polypeptide
Descriptor: 1,2-ETHANEDIOL, AMINO GROUP, FP29092, ...
Authors:Li, K, Agarwal, S, Tokareva, O, Thomson, T, Wahl, S, Verdine, G, McGee, J.
Deposit date:2022-05-05
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
7MRO
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BU of 7mro by Molmil
Zebrafish CNTN4 FN1-FN3 domains
Descriptor: Contactin-4
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-07
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
7MRS
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BU of 7mrs by Molmil
Zebrafish CNTN4 APPb complex
Descriptor: Amyloid-beta A4 protein, Contactin-4
Authors:Bouyain, S, Karuppan, S.J.
Deposit date:2021-05-09
Release date:2022-01-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface.
J.Biol.Chem., 298, 2021
6MEN
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BU of 6men by Molmil
Crystal structure of a Tylonycteris bat coronavirus HKU4 macrodomain in complex with adenosine diphosphate glucose (ADP-glucose)
Descriptor: ADENOSINE-5'-DIPHOSPHATE-GLUCOSE, Replicase polyprotein 1ab
Authors:Hammond, R.G, Schormann, N, McPherson, R.L, Leung, A.K.L, Deivanayagam, C.C.S, Johnson, M.A.
Deposit date:2018-09-06
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:ADP-Ribose and Analogues bound to the DeMARylating Macrodomain from the Bat Coronavirus HKU4
Proc.Natl.Acad.Sci.USA, 2021
8TYH
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BU of 8tyh by Molmil
Plasmodium vivax PMX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-tungstotellurate(VI), Aspartyl protease, ...
Authors:Hodder, A.N, Scally, S.W, Cowman, A.F.
Deposit date:2023-08-25
Release date:2024-08-28
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Plasmodium vivax PMX
To Be Published

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