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7N9J
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BU of 7n9j by Molmil
Crystal structure of H2DB in complex with HSF2 melanoma neoantigen
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
Authors:Patskovsky, Y, Finnigan, J, Patskovska, L, Newman, J, Bhardwaj, N, Krogsgaard, M.
Deposit date:2021-06-18
Release date:2022-06-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structure of the complex between H2DB and melanoma HSF2 neoantigen YGFRNVVHI
To be Published
7NA5
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BU of 7na5 by Molmil
Structure of the H2DB-TCR ternary complex with HSF2 melanoma neoantigen
Descriptor: 47BE7 TCR alpha chain, 47BE7 TCR beta chain, Beta-2-microglobulin, ...
Authors:Patskovsky, Y, Finnigan, J, Patskovska, L, Newman, J, Bhardwaj, N, Krogsgaard, M.
Deposit date:2021-06-19
Release date:2022-06-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the TCR-H2DB ternary complex with melanoma HSF2 neoantigen YGFRNVVHI
To be Published
7N9V
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BU of 7n9v by Molmil
CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions
Descriptor: Capsid protein, Nanobody-GYAR
Authors:Tripler, T.N.
Deposit date:2021-06-18
Release date:2022-06-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions
To Be Published
7NAE
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BU of 7nae by Molmil
Crystal structure of Escherichia coli dihydrofolate reductase in complex with TRIMETHOPRIM
Descriptor: Dihydrofolate reductase, SULFATE ION, TRIMETHOPRIM
Authors:Estrada, A, Wright, D, Krucinska, J, Erlandsen, H.
Deposit date:2021-06-21
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
7N53
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BU of 7n53 by Molmil
Complex structure of PAP4 with papaverine
Descriptor: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, GLYCEROL, PAP4, ...
Authors:Kim, W, Zhang, Y.
Deposit date:2021-06-04
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
3K94
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BU of 3k94 by Molmil
Crystal Structure of Thiamin pyrophosphokinase from Geobacillus thermodenitrificans, Northeast Structural Genomics Consortium Target GtR2
Descriptor: Thiamin pyrophosphokinase
Authors:Kuzin, A, Su, M, Seetharaman, J, Janjua, J, Xiao, R, Patel, D.J, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-10-15
Release date:2010-02-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Northeast Structural Genomics Consortium Target GtR2
To be Published
7N4W
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BU of 7n4w by Molmil
Complex structure of ROTU4 with rotundine
Descriptor: GLYCEROL, ROTU4, SULFATE ION, ...
Authors:Kim, W, Zhang, Y.
Deposit date:2021-06-04
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
7N4Z
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BU of 7n4z by Molmil
Complex structure of NOS4 with noscapine
Descriptor: NOS4, SULFATE ION, noscapine
Authors:Kim, W, Zhang, Y.
Deposit date:2021-06-04
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
7N2T
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BU of 7n2t by Molmil
O-acetylserine sulfhydrylase from Citrullus vulgaris in the internal aldimine state, with citrate bound
Descriptor: CITRIC ACID, Cysteine synthase, PENTAETHYLENE GLYCOL, ...
Authors:Smith, J.L, Buller, A.R, Bingman, C.A.
Deposit date:2021-05-29
Release date:2022-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Investigation of beta-Substitution Activity of O-Acetylserine Sulfhydrolase from Citrullus vulgaris.
Chembiochem, 23, 2022
7N7V
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BU of 7n7v by Molmil
Crystal structure of TtnM, a Fe(II)-alpha-ketoglutarate-dependent hydroxylase from the tautomycetin biosynthesis pathway in Streptomyces griseochromogenes at 2 A.
Descriptor: CHLORIDE ION, FE (II) ION, Predicted hydroxylase
Authors:Han, L, Xu, W, Ma, M, Miller, M.D, Shen, B, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2021-06-11
Release date:2022-07-06
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure of TtnM, a Fe(II)-alpha-ketoglutarate-dependent hydroxylase from the tautomycetin biosynthesis pathway in Streptomyces griseochromogenes.
To Be Published
7N54
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BU of 7n54 by Molmil
Complex structure of GLAU4 with glaucine
Descriptor: GLAU4, SULFATE ION, glaucine
Authors:Kim, W, Zhang, Y.
Deposit date:2021-06-04
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
7MZQ
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BU of 7mzq by Molmil
Crystal structure of the UcaD lectin-binding domain in complex with fucose
Descriptor: CHLORIDE ION, Fimbrial adhesin UcaD, beta-L-fucopyranose
Authors:Ve, T, Lo, A.W, Schembri, M.A, Kobe, B.
Deposit date:2021-05-24
Release date:2022-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Ucl fimbriae regulation and glycan receptor specificity contribute to gut colonisation by extra-intestinal pathogenic Escherichia coli.
Plos Pathog., 18, 2022
7MWH
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BU of 7mwh by Molmil
Crystal structure of BAZ2A with DNA
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, DNA (5'-D(*CP*GP*GP*AP*AP*TP*GP*TP*AP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*TP*AP*(5CM)P*AP*TP*TP*CP*CP*G)-3'), ...
Authors:Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-05-17
Release date:2022-08-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of the BAZ2B TAM domain.
Heliyon, 8, 2022
7N91
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BU of 7n91 by Molmil
P70 S6K1 IN COMPLEX WITH MSC2317067A-1
Descriptor: 4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1
Authors:Mochalkin, I.
Deposit date:2021-06-16
Release date:2022-07-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers.
J.Med.Chem., 64, 2021
7N93
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BU of 7n93 by Molmil
P70 S6K1 IN COMPLEX WITH MSC2363318A-1
Descriptor: 4-({(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl}amino)quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1
Authors:Mochalkin, I.
Deposit date:2021-06-16
Release date:2022-07-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers.
J.Med.Chem., 64, 2021
7N9O
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BU of 7n9o by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with Aliphatic SERD S-C10(15)
Descriptor: 10-{[3,17beta-dihydroxyestra-1,3,5(10)-trien-7beta-yl]sulfanyl}-N-methyl-N-propyldecanamide, Estrogen receptor
Authors:Diennet, M, El Ezzy, M, Thiombane, K, Cotnoir-White, D, Poupart, J, Gao, Z, Mendoza, S.R, Marinier, A, Gleason, J, Mader, S.C, Fanning, S.W.
Deposit date:2021-06-18
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Estrogen Receptor Alpha Ligand Binding Domain in Complex with Aliphatic SERD S-C10(15)
To Be Published
7MZS
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BU of 7mzs by Molmil
Crystal structure of the UcaD lectin-binding domain in complex with galactose
Descriptor: CHLORIDE ION, Fimbrial adhesin UcaD, alpha-D-galactopyranose
Authors:Ve, T, Lo, A.W, Schembri, M.A, Kobe, B.
Deposit date:2021-05-24
Release date:2022-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Ucl fimbriae regulation and glycan receptor specificity contribute to gut colonisation by extra-intestinal pathogenic Escherichia coli.
Plos Pathog., 18, 2022
3JZA
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BU of 3jza by Molmil
Crystal structure of human Rab1b in complex with the GEF domain of DrrA/SidM from Legionella pneumophila
Descriptor: PHOSPHATE ION, Ras-related protein Rab-1B, Uncharacterized protein DrrA
Authors:Schoebel, S, Oesterlin, L.K, Blankenfeldt, W, Goody, R.S, Itzen, A.
Deposit date:2009-09-23
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:RabGDI displacement by DrrA from Legionella is a consequence of its guanine nucleotide exchange activity.
Mol.Cell, 36, 2009
7MZR
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BU of 7mzr by Molmil
Crystal structure of the UcaD lectin-binding domain in complex with glucose
Descriptor: CHLORIDE ION, Fimbrial adhesin UcaD, beta-D-glucopyranose
Authors:Ve, T, Lo, A.W, Schembri, M.A, Kobe, B.
Deposit date:2021-05-24
Release date:2022-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Ucl fimbriae regulation and glycan receptor specificity contribute to gut colonisation by extra-intestinal pathogenic Escherichia coli.
Plos Pathog., 18, 2022
7N1M
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BU of 7n1m by Molmil
Crystal Structure of the Class D Beta-lactamase OXA-935 from Pseudomonas aeruginosa, Orthorhombic Crystal Form
Descriptor: Beta-lactamase OXA-935, SULFATE ION
Authors:Minasov, G, Shuvalova, L, Rosas-Lemus, M, Brunzelle, J.B, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-05-27
Release date:2022-07-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Functional and Structural Characterization of OXA-935, a Novel OXA-10-Family beta-Lactamase from Pseudomonas aeruginosa.
Antimicrob.Agents Chemother., 66, 2022
7MST
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BU of 7mst by Molmil
Phosphorylated human E105Qa GTP-specific succinyl-CoA synthetase complexed with coenzyme A
Descriptor: 1,2-ETHANEDIOL, COENZYME A, GLYCEROL, ...
Authors:Huang, J, Fraser, M.E.
Deposit date:2021-05-12
Release date:2022-10-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:The structure of succinyl-CoA synthetase bound to the succinyl-phosphate intermediate clarifies the catalytic mechanism of ATP-citrate lyase
Acta Crystallogr.,Sect.F, 78, 2022
7N5Q
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BU of 7n5q by Molmil
Peptide-MHC complex of mouse H2-Db presenting PA224 with E4C mutation
Descriptor: ACETATE ION, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
Authors:Szeto, C, Gras, S.
Deposit date:2021-06-06
Release date:2022-07-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Covalent TCR-peptide-MHC interactions induce T cell activation and redirect T cell fate in the thymus.
Nat Commun, 13, 2022
7N7G
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BU of 7n7g by Molmil
Crystal Structure of FosB from Enterococcus faecium with Fosfomycin
Descriptor: 1,2-ETHANEDIOL, FOSFOMYCIN, MANGANESE (II) ION, ...
Authors:Shay, M.R, Simmons, Z, Thompson, M.K.
Deposit date:2021-06-10
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional characterization of fosfomycin resistance conferred by FosB from Enterococcus faecium.
Protein Sci., 31, 2022
3K71
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BU of 3k71 by Molmil
Structure of integrin alphaX beta2 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, CALCIUM ION, ...
Authors:Xie, C, Zhu, J, Chen, X, Mi, L, Nishida, N, Springer, T.A.
Deposit date:2009-10-11
Release date:2010-01-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.95 Å)
Cite:Structure of an integrin with an alphaI domain, complement receptor type 4.
Embo J., 29, 2010
7MR9
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BU of 7mr9 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to NC-II-153
Descriptor: 1,2-ETHANEDIOL, 2-methyl-4-[3-(2-oxopyrrolidin-1-yl)phenyl]isoquinolin-1(2H)-one, Bromodomain-containing protein 4
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022

238582

數據於2025-07-09公開中

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